USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1057 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 105 CYS SG : rot 172:sc= -3.07! USER MOD Set 1.2: B 108 CYS SG : rot -67:sc= -1.41 USER MOD Set 1.3: B 126 CYS SG : rot 127:sc= -2.67! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.64 K(o=-8.8,f=-11) USER MOD Set 2.1: B 79 CYS SG : rot -164:sc= -4.91! USER MOD Set 2.2: B 82 CYS SG : rot -110:sc= -0.0678 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.87 K(o=-9.4,f=-13!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.469 K(o=-9.4,f=-12) USER MOD Set 3.1: A 48 ASN : amide:sc= -26.4! C(o=-27!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -1.06 K(o=-27,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -156:sc= -1.19 (180deg=-3.25!) USER MOD Set 4.2: A 46 CYS SG : rot 15:sc= 0.635 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= -0.354 (180deg=-0.513) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.962 X(o=-0.96,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.3!) USER MOD Single : A 11 THR OG1 : rot -124:sc= 1.15! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= -2.4 USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.38 USER MOD Single : A 24 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc=-0.00528 (180deg=-0.162) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= -16.5! (180deg=-18.6!) USER MOD Single : A 39 ASN : amide:sc= -0.051 K(o=-0.051,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= -1.96! (180deg=-2.02!) USER MOD Single : A 59 ASN : amide:sc= -2.97! C(o=-3!,f=-19!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -67:sc= -2.52 USER MOD Single : A 71 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-2!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl -113:sc= -0.21 (180deg=-0.767) USER MOD Single : B 92 ASN : amide:sc= -4.13! K(o=-4.1!,f=-0.37) USER MOD Single : B 94 MET CE :methyl -161:sc= -1.19 (180deg=-3.21!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0972) USER MOD Single : B 97 GLN : amide:sc= -7.01! K(o=-7!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -150:sc= -1.02 (180deg=-2.74!) USER MOD Single : B 110 LYS NZ :NH3+ 158:sc= -0.186 (180deg=-1.15) USER MOD Single : B 115 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-0.64) USER MOD Single : B 117 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-1.1) USER MOD Single : B 118 TYR OH : rot 10:sc= -0.711 USER MOD Single : B 121 LYS NZ :NH3+ -165:sc= -0.0105 (180deg=-0.22) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -119:sc= 0.64 USER MOD Single : B 131 ASN : amide:sc= -0.622 K(o=-0.62,f=-5.4!) USER MOD Single : B 132 GLN : amide:sc= -0.641 K(o=-0.64,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.431 -9.871 -28.411 1.00 0.00 N ATOM 2 CA GLN A 1 -11.296 -9.373 -29.239 1.00 0.00 C ATOM 3 C GLN A 1 -10.317 -8.604 -28.351 1.00 0.00 C ATOM 4 O GLN A 1 -9.378 -7.998 -28.826 1.00 0.00 O ATOM 5 CB GLN A 1 -11.831 -8.445 -30.332 1.00 0.00 C ATOM 6 CG GLN A 1 -12.850 -9.197 -31.188 1.00 0.00 C ATOM 7 CD GLN A 1 -13.154 -8.387 -32.449 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.748 -8.754 -33.533 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.859 -7.292 -32.353 1.00 0.00 N ATOM 0 H1 GLN A 1 -13.034 -10.492 -28.987 1.00 0.00 H new ATOM 0 H2 GLN A 1 -12.060 -10.404 -27.599 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.991 -9.064 -28.069 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.783 -10.218 -29.699 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.295 -7.567 -29.883 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.010 -8.088 -30.954 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.460 -10.178 -31.459 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.766 -9.363 -30.620 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.200 -6.983 -31.443 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.068 -6.745 -33.188 1.00 0.00 H new ATOM 20 N GLY A 2 -10.529 -8.622 -27.062 1.00 0.00 N ATOM 21 CA GLY A 2 -9.610 -7.893 -26.146 1.00 0.00 C ATOM 22 C GLY A 2 -9.895 -8.304 -24.702 1.00 0.00 C ATOM 23 O GLY A 2 -10.484 -7.562 -23.939 1.00 0.00 O ATOM 0 H GLY A 2 -11.299 -9.111 -26.606 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.574 -8.116 -26.401 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.742 -6.817 -26.262 1.00 0.00 H new ATOM 27 N SER A 3 -9.480 -9.479 -24.315 1.00 0.00 N ATOM 28 CA SER A 3 -9.728 -9.933 -22.919 1.00 0.00 C ATOM 29 C SER A 3 -8.791 -11.094 -22.584 1.00 0.00 C ATOM 30 O SER A 3 -9.149 -12.005 -21.866 1.00 0.00 O ATOM 31 CB SER A 3 -11.179 -10.394 -22.783 1.00 0.00 C ATOM 32 OG SER A 3 -11.398 -11.512 -23.632 1.00 0.00 O ATOM 0 H SER A 3 -8.980 -10.144 -24.906 1.00 0.00 H new ATOM 0 HA SER A 3 -9.542 -9.108 -22.232 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.392 -10.661 -21.748 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.857 -9.583 -23.049 1.00 0.00 H new ATOM 0 HG SER A 3 -12.327 -11.811 -23.546 1.00 0.00 H new ATOM 38 N ARG A 4 -7.592 -11.067 -23.095 1.00 0.00 N ATOM 39 CA ARG A 4 -6.632 -12.167 -22.801 1.00 0.00 C ATOM 40 C ARG A 4 -6.145 -12.035 -21.358 1.00 0.00 C ATOM 41 O ARG A 4 -6.042 -10.947 -20.825 1.00 0.00 O ATOM 42 CB ARG A 4 -5.437 -12.074 -23.757 1.00 0.00 C ATOM 43 CG ARG A 4 -4.464 -13.224 -23.475 1.00 0.00 C ATOM 44 CD ARG A 4 -3.318 -13.196 -24.490 1.00 0.00 C ATOM 45 NE ARG A 4 -3.860 -13.039 -25.883 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.726 -13.883 -26.384 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.018 -14.986 -25.754 1.00 0.00 N ATOM 48 NH2 ARG A 4 -5.260 -13.642 -27.550 1.00 0.00 N ATOM 0 H ARG A 4 -7.235 -10.330 -23.704 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.125 -13.130 -22.935 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.780 -12.120 -24.790 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.931 -11.117 -23.631 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.068 -13.137 -22.463 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.988 -14.178 -23.531 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.640 -12.374 -24.261 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.738 -14.116 -24.420 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.545 -12.254 -26.453 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.570 -15.198 -24.862 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.694 -15.637 -26.153 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.002 -12.800 -28.065 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.936 -14.295 -27.946 1.00 0.00 H new ATOM 62 N VAL A 5 -5.842 -13.131 -20.717 1.00 0.00 N ATOM 63 CA VAL A 5 -5.362 -13.054 -19.309 1.00 0.00 C ATOM 64 C VAL A 5 -4.002 -12.353 -19.277 1.00 0.00 C ATOM 65 O VAL A 5 -2.968 -12.973 -19.425 1.00 0.00 O ATOM 66 CB VAL A 5 -5.225 -14.468 -18.742 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.872 -14.391 -17.255 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.549 -15.214 -18.911 1.00 0.00 C ATOM 0 H VAL A 5 -5.906 -14.072 -21.106 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.075 -12.491 -18.707 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.436 -14.998 -19.276 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.775 -15.399 -16.852 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.929 -13.858 -17.132 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.661 -13.861 -16.721 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.453 -16.222 -18.507 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.337 -14.683 -18.377 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.803 -15.270 -19.970 1.00 0.00 H new ATOM 78 N LEU A 6 -4.003 -11.058 -19.068 1.00 0.00 N ATOM 79 CA LEU A 6 -2.724 -10.281 -19.006 1.00 0.00 C ATOM 80 C LEU A 6 -2.655 -9.601 -17.644 1.00 0.00 C ATOM 81 O LEU A 6 -1.703 -9.751 -16.903 1.00 0.00 O ATOM 82 CB LEU A 6 -2.712 -9.214 -20.108 1.00 0.00 C ATOM 83 CG LEU A 6 -2.553 -9.881 -21.489 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.078 -8.938 -22.579 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.073 -10.185 -21.772 1.00 0.00 C ATOM 0 H LEU A 6 -4.846 -10.500 -18.936 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.871 -10.945 -19.149 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.637 -8.638 -20.078 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.895 -8.513 -19.938 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.120 -10.812 -21.490 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.965 -9.411 -23.555 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.132 -8.725 -22.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.511 -8.007 -22.559 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.979 -10.656 -22.751 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.502 -9.257 -21.759 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.687 -10.859 -21.007 1.00 0.00 H new ATOM 97 N HIS A 7 -3.673 -8.854 -17.311 1.00 0.00 N ATOM 98 CA HIS A 7 -3.704 -8.154 -15.999 1.00 0.00 C ATOM 99 C HIS A 7 -5.145 -8.115 -15.494 1.00 0.00 C ATOM 100 O HIS A 7 -5.789 -7.086 -15.503 1.00 0.00 O ATOM 101 CB HIS A 7 -3.183 -6.725 -16.170 1.00 0.00 C ATOM 102 CG HIS A 7 -1.793 -6.764 -16.742 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.695 -7.156 -15.993 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.306 -6.460 -17.989 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.387 -7.079 -16.786 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.070 -6.661 -18.016 1.00 0.00 N ATOM 0 H HIS A 7 -4.492 -8.699 -17.899 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.075 -8.682 -15.282 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.844 -6.162 -16.829 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.178 -6.211 -15.209 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.706 -7.450 -15.016 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.901 -6.117 -18.822 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.390 -7.325 -16.469 1.00 0.00 H new ATOM 114 N VAL A 8 -5.655 -9.224 -15.032 1.00 0.00 N ATOM 115 CA VAL A 8 -7.049 -9.235 -14.512 1.00 0.00 C ATOM 116 C VAL A 8 -7.042 -8.434 -13.216 1.00 0.00 C ATOM 117 O VAL A 8 -5.998 -8.269 -12.619 1.00 0.00 O ATOM 118 CB VAL A 8 -7.481 -10.679 -14.239 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.997 -10.734 -14.066 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.074 -11.566 -15.420 1.00 0.00 C ATOM 0 H VAL A 8 -5.168 -10.119 -14.993 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.746 -8.802 -15.230 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.997 -11.035 -13.330 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.304 -11.762 -13.872 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.291 -10.103 -13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.480 -10.377 -14.975 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.381 -12.594 -15.226 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.559 -11.208 -16.328 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.992 -11.529 -15.547 1.00 0.00 H new ATOM 130 N VAL A 9 -8.161 -7.908 -12.761 1.00 0.00 N ATOM 131 CA VAL A 9 -8.106 -7.104 -11.498 1.00 0.00 C ATOM 132 C VAL A 9 -9.376 -7.280 -10.664 1.00 0.00 C ATOM 133 O VAL A 9 -10.484 -7.159 -11.147 1.00 0.00 O ATOM 134 CB VAL A 9 -7.911 -5.613 -11.843 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.808 -5.457 -12.894 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.212 -5.037 -12.405 1.00 0.00 C ATOM 0 H VAL A 9 -9.080 -7.997 -13.195 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.264 -7.462 -10.905 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.630 -5.079 -10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.678 -4.401 -13.131 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.873 -5.859 -12.503 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.087 -6.000 -13.797 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.069 -3.984 -12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.492 -5.582 -13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.004 -5.134 -11.662 1.00 0.00 H new ATOM 146 N GLN A 10 -9.202 -7.543 -9.396 1.00 0.00 N ATOM 147 CA GLN A 10 -10.362 -7.711 -8.473 1.00 0.00 C ATOM 148 C GLN A 10 -10.568 -6.412 -7.689 1.00 0.00 C ATOM 149 O GLN A 10 -9.649 -5.871 -7.106 1.00 0.00 O ATOM 150 CB GLN A 10 -10.078 -8.854 -7.497 1.00 0.00 C ATOM 151 CG GLN A 10 -10.049 -10.184 -8.253 1.00 0.00 C ATOM 152 CD GLN A 10 -9.711 -11.316 -7.281 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.593 -11.096 -6.091 1.00 0.00 O ATOM 154 NE2 GLN A 10 -9.551 -12.528 -7.736 1.00 0.00 N ATOM 0 H GLN A 10 -8.289 -7.650 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.259 -7.942 -9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.124 -8.689 -6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.844 -8.882 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.015 -10.369 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.309 -10.144 -9.053 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.649 -12.715 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.327 -13.288 -7.094 1.00 0.00 H new ATOM 163 N THR A 11 -11.770 -5.911 -7.675 1.00 0.00 N ATOM 164 CA THR A 11 -12.058 -4.647 -6.937 1.00 0.00 C ATOM 165 C THR A 11 -11.820 -4.832 -5.453 1.00 0.00 C ATOM 166 O THR A 11 -11.908 -5.913 -4.906 1.00 0.00 O ATOM 167 CB THR A 11 -13.511 -4.267 -7.154 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.777 -4.217 -8.546 1.00 0.00 O ATOM 169 CG2 THR A 11 -13.819 -2.906 -6.512 1.00 0.00 C ATOM 0 H THR A 11 -12.574 -6.325 -8.147 1.00 0.00 H new ATOM 0 HA THR A 11 -11.397 -3.864 -7.310 1.00 0.00 H new ATOM 0 HB THR A 11 -14.147 -5.017 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.134 -3.335 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.866 -2.653 -6.680 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.625 -2.957 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.185 -2.141 -6.960 1.00 0.00 H new ATOM 177 N LEU A 12 -11.530 -3.749 -4.806 1.00 5.40 N ATOM 178 CA LEU A 12 -11.284 -3.750 -3.336 1.00 9.02 C ATOM 179 C LEU A 12 -12.409 -2.940 -2.690 1.00 10.54 C ATOM 180 O LEU A 12 -12.640 -3.022 -1.499 1.00 10.21 O ATOM 181 CB LEU A 12 -9.933 -3.056 -3.022 1.00 7.97 C ATOM 182 CG LEU A 12 -8.661 -3.815 -3.559 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.443 -2.891 -3.476 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.315 -5.095 -2.779 1.00 6.66 C ATOM 0 H LEU A 12 -11.449 -2.831 -5.244 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.253 -4.772 -2.958 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -9.948 -2.053 -3.449 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -9.842 -2.941 -1.942 1.00 7.97 H new ATOM 0 HG LEU A 12 -8.903 -4.102 -4.582 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.563 -3.415 -3.847 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.619 -2.002 -4.082 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.280 -2.597 -2.439 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.428 -5.556 -3.212 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.121 -4.844 -1.736 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.151 -5.792 -2.835 1.00 6.66 H new ATOM 196 N TYR A 13 -13.111 -2.150 -3.466 1.00 12.19 N ATOM 197 CA TYR A 13 -14.223 -1.329 -2.874 1.00 12.32 C ATOM 198 C TYR A 13 -15.347 -1.098 -3.915 1.00 14.17 C ATOM 199 O TYR A 13 -15.055 -0.932 -5.082 1.00 14.79 O ATOM 200 CB TYR A 13 -13.661 0.029 -2.442 1.00 14.83 C ATOM 201 CG TYR A 13 -12.332 -0.169 -1.750 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.293 -0.605 -0.419 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.139 0.084 -2.437 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.064 -0.787 0.223 1.00 12.56 C ATOM 205 CE2 TYR A 13 -9.908 -0.097 -1.794 1.00 10.94 C ATOM 206 CZ TYR A 13 -9.871 -0.533 -0.465 1.00 12.35 C ATOM 207 OH TYR A 13 -8.657 -0.711 0.170 1.00 12.20 O ATOM 0 H TYR A 13 -12.968 -2.036 -4.470 1.00 12.19 H new ATOM 0 HA TYR A 13 -14.638 -1.863 -2.019 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.537 0.676 -3.311 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.361 0.527 -1.771 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.213 -0.801 0.112 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.168 0.419 -3.463 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.035 -1.123 1.249 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -8.988 0.100 -2.324 1.00 10.94 H new ATOM 0 HH TYR A 13 -7.929 -0.492 -0.449 1.00 12.20 H new ATOM 217 N PRO A 14 -16.610 -1.059 -3.477 1.00 0.00 N ATOM 218 CA PRO A 14 -17.741 -0.807 -4.403 1.00 0.00 C ATOM 219 C PRO A 14 -17.732 0.674 -4.815 1.00 0.00 C ATOM 220 O PRO A 14 -18.445 1.486 -4.259 1.00 0.00 O ATOM 221 CB PRO A 14 -19.001 -1.128 -3.571 1.00 0.00 C ATOM 222 CG PRO A 14 -18.563 -1.140 -2.080 1.00 0.00 C ATOM 223 CD PRO A 14 -17.022 -1.261 -2.062 1.00 0.00 C ATOM 0 HA PRO A 14 -17.692 -1.403 -5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.777 -0.381 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.419 -2.093 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.884 -0.228 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.022 -1.975 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.574 -0.513 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.706 -2.237 -1.693 1.00 0.00 H new ATOM 231 N PHE A 15 -16.922 1.034 -5.767 1.00 0.00 N ATOM 232 CA PHE A 15 -16.862 2.466 -6.188 1.00 0.00 C ATOM 233 C PHE A 15 -18.122 2.862 -6.951 1.00 0.00 C ATOM 234 O PHE A 15 -18.937 2.037 -7.314 1.00 0.00 O ATOM 235 CB PHE A 15 -15.656 2.687 -7.095 1.00 0.00 C ATOM 236 CG PHE A 15 -15.431 4.175 -7.334 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.236 5.056 -6.254 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.413 4.677 -8.647 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.026 6.418 -6.490 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.202 6.042 -8.875 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.009 6.911 -7.799 1.00 0.00 C ATOM 0 H PHE A 15 -16.299 0.404 -6.273 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.779 3.078 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.768 2.247 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.812 2.180 -8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.249 4.680 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.562 4.008 -9.482 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.876 7.092 -5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.188 6.424 -9.885 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.847 7.964 -7.977 1.00 0.00 H new ATOM 251 N SER A 16 -18.274 4.138 -7.200 1.00 0.00 N ATOM 252 CA SER A 16 -19.469 4.632 -7.951 1.00 0.00 C ATOM 253 C SER A 16 -19.032 5.691 -8.958 1.00 0.00 C ATOM 254 O SER A 16 -18.627 6.781 -8.607 1.00 0.00 O ATOM 255 CB SER A 16 -20.477 5.237 -6.973 1.00 0.00 C ATOM 256 OG SER A 16 -21.041 4.201 -6.180 1.00 0.00 O ATOM 0 H SER A 16 -17.617 4.864 -6.913 1.00 0.00 H new ATOM 0 HA SER A 16 -19.936 3.800 -8.478 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.986 5.973 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.261 5.761 -7.519 1.00 0.00 H new ATOM 0 HG SER A 16 -21.687 4.585 -5.551 1.00 0.00 H new ATOM 262 N SER A 17 -19.116 5.361 -10.219 1.00 0.00 N ATOM 263 CA SER A 17 -18.713 6.309 -11.294 1.00 0.00 C ATOM 264 C SER A 17 -19.798 6.293 -12.373 1.00 0.00 C ATOM 265 O SER A 17 -19.972 5.311 -13.065 1.00 0.00 O ATOM 266 CB SER A 17 -17.360 5.855 -11.855 1.00 0.00 C ATOM 267 OG SER A 17 -16.591 6.996 -12.202 1.00 0.00 O ATOM 0 H SER A 17 -19.453 4.458 -10.553 1.00 0.00 H new ATOM 0 HA SER A 17 -18.608 7.327 -10.918 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.829 5.255 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.510 5.223 -12.730 1.00 0.00 H new ATOM 0 HG SER A 17 -15.673 6.722 -12.407 1.00 0.00 H new ATOM 273 N VAL A 18 -20.524 7.374 -12.526 1.00 0.00 N ATOM 274 CA VAL A 18 -21.597 7.422 -13.549 1.00 0.00 C ATOM 275 C VAL A 18 -21.443 8.687 -14.377 1.00 0.00 C ATOM 276 O VAL A 18 -21.944 9.748 -14.061 1.00 0.00 O ATOM 277 CB VAL A 18 -22.963 7.426 -12.846 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.103 6.169 -11.983 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.073 8.667 -11.951 1.00 0.00 C ATOM 0 H VAL A 18 -20.413 8.227 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.527 6.552 -14.202 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.753 7.442 -13.597 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.073 6.175 -11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.024 5.284 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.311 6.152 -11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.042 8.671 -11.452 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.280 8.648 -11.204 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.976 9.565 -12.561 1.00 0.00 H new ATOM 289 N THR A 19 -20.772 8.533 -15.459 1.00 38.32 N ATOM 290 CA THR A 19 -20.552 9.651 -16.423 1.00 37.06 C ATOM 291 C THR A 19 -20.571 9.061 -17.824 1.00 36.60 C ATOM 292 O THR A 19 -21.175 8.037 -18.077 1.00 36.42 O ATOM 293 CB THR A 19 -19.189 10.338 -16.174 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.883 10.285 -14.789 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.245 11.804 -16.621 1.00 37.86 C ATOM 0 H THR A 19 -20.345 7.650 -15.739 1.00 38.32 H new ATOM 0 HA THR A 19 -21.333 10.401 -16.299 1.00 37.06 H new ATOM 0 HB THR A 19 -18.420 9.819 -16.747 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.340 11.063 -14.544 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.279 12.277 -16.440 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.479 11.851 -17.685 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.016 12.327 -16.056 1.00 37.86 H new ATOM 303 N GLU A 20 -19.883 9.683 -18.717 1.00 36.33 N ATOM 304 CA GLU A 20 -19.798 9.191 -20.069 1.00 36.39 C ATOM 305 C GLU A 20 -18.709 8.105 -20.082 1.00 30.94 C ATOM 306 O GLU A 20 -18.929 6.998 -20.536 1.00 31.73 O ATOM 307 CB GLU A 20 -19.470 10.419 -20.927 1.00 41.00 C ATOM 308 CG GLU A 20 -20.646 11.327 -20.938 1.00 49.07 C ATOM 309 CD GLU A 20 -20.326 12.607 -21.711 1.00 52.00 C ATOM 310 OE1 GLU A 20 -19.218 12.711 -22.211 1.00 55.13 O ATOM 311 OE2 GLU A 20 -21.192 13.461 -21.790 1.00 54.38 O ATOM 0 H GLU A 20 -19.362 10.543 -18.544 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.707 8.732 -20.459 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.598 10.936 -20.527 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -19.221 10.113 -21.943 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.498 10.823 -21.394 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.932 11.574 -19.916 1.00 49.07 H new ATOM 318 N GLU A 21 -17.529 8.431 -19.621 1.00 0.00 N ATOM 319 CA GLU A 21 -16.406 7.479 -19.624 1.00 0.00 C ATOM 320 C GLU A 21 -16.072 7.021 -18.187 1.00 0.00 C ATOM 321 O GLU A 21 -14.939 6.706 -17.883 1.00 0.00 O ATOM 322 CB GLU A 21 -15.235 8.255 -20.231 1.00 0.00 C ATOM 323 CG GLU A 21 -14.433 7.324 -21.124 1.00 0.00 C ATOM 324 CD GLU A 21 -15.138 7.146 -22.470 1.00 0.00 C ATOM 325 OE1 GLU A 21 -16.130 7.821 -22.691 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.674 6.340 -23.258 1.00 0.00 O ATOM 0 H GLU A 21 -17.303 9.347 -19.234 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.636 6.576 -20.189 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.604 9.103 -20.807 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.601 8.658 -19.441 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.433 7.729 -21.280 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.312 6.356 -20.638 1.00 0.00 H new ATOM 333 N GLU A 22 -17.038 6.991 -17.301 1.00 0.00 N ATOM 334 CA GLU A 22 -16.763 6.566 -15.885 1.00 0.00 C ATOM 335 C GLU A 22 -17.200 5.097 -15.686 1.00 0.00 C ATOM 336 O GLU A 22 -18.092 4.611 -16.354 1.00 0.00 O ATOM 337 CB GLU A 22 -17.536 7.511 -14.939 1.00 0.00 C ATOM 338 CG GLU A 22 -16.605 8.611 -14.385 1.00 0.00 C ATOM 339 CD GLU A 22 -16.206 9.562 -15.514 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.257 9.146 -16.659 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.857 10.693 -15.214 1.00 0.00 O ATOM 0 H GLU A 22 -18.008 7.242 -17.494 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.697 6.628 -15.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.368 7.968 -15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.962 6.939 -14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.110 9.163 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.716 8.161 -13.944 1.00 0.00 H new ATOM 348 N LEU A 23 -16.549 4.384 -14.783 1.00 11.68 N ATOM 349 CA LEU A 23 -16.884 2.931 -14.545 1.00 7.71 C ATOM 350 C LEU A 23 -17.525 2.741 -13.161 1.00 8.71 C ATOM 351 O LEU A 23 -16.865 2.854 -12.149 1.00 10.83 O ATOM 352 CB LEU A 23 -15.570 2.112 -14.587 1.00 7.16 C ATOM 353 CG LEU A 23 -15.807 0.595 -14.835 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.041 0.073 -14.093 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.974 0.319 -16.324 1.00 2.00 C ATOM 0 H LEU A 23 -15.797 4.748 -14.198 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.584 2.599 -15.312 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.927 2.507 -15.374 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.037 2.242 -13.645 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.930 0.074 -14.452 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.165 -0.991 -14.297 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.912 0.224 -13.021 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.925 0.613 -14.432 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -16.139 -0.747 -16.480 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.829 0.878 -16.704 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -15.074 0.628 -16.855 1.00 2.00 H new ATOM 367 N ASN A 24 -18.789 2.404 -13.107 1.00 0.00 N ATOM 368 CA ASN A 24 -19.439 2.147 -11.783 1.00 0.00 C ATOM 369 C ASN A 24 -19.376 0.640 -11.555 1.00 0.00 C ATOM 370 O ASN A 24 -19.759 -0.125 -12.417 1.00 0.00 O ATOM 371 CB ASN A 24 -20.907 2.603 -11.818 1.00 0.00 C ATOM 372 CG ASN A 24 -21.670 2.015 -10.626 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.819 1.644 -10.750 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.073 1.914 -9.471 1.00 0.00 N ATOM 0 H ASN A 24 -19.398 2.296 -13.918 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.935 2.694 -10.986 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.958 3.691 -11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.373 2.285 -12.751 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.572 1.523 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.107 2.226 -9.367 1.00 0.00 H new ATOM 381 N PHE A 25 -18.875 0.179 -10.436 1.00 6.72 N ATOM 382 CA PHE A 25 -18.792 -1.293 -10.253 1.00 6.82 C ATOM 383 C PHE A 25 -18.842 -1.659 -8.780 1.00 7.56 C ATOM 384 O PHE A 25 -18.289 -0.987 -7.932 1.00 6.07 O ATOM 385 CB PHE A 25 -17.503 -1.826 -10.898 1.00 9.59 C ATOM 386 CG PHE A 25 -16.247 -1.141 -10.353 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.054 0.251 -10.471 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.242 -1.918 -9.763 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.876 0.840 -9.998 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.066 -1.323 -9.297 1.00 11.14 C ATOM 391 CZ PHE A 25 -13.885 0.055 -9.411 1.00 12.44 C ATOM 0 H PHE A 25 -18.529 0.746 -9.662 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.650 -1.754 -10.742 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.431 -2.900 -10.725 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.553 -1.680 -11.977 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.817 0.864 -10.927 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.377 -2.985 -9.667 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.734 1.907 -10.088 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.296 -1.932 -8.848 1.00 11.14 H new ATOM 0 HZ PHE A 25 -12.978 0.513 -9.045 1.00 12.44 H new ATOM 401 N GLU A 26 -19.509 -2.740 -8.478 1.00 0.00 N ATOM 402 CA GLU A 26 -19.615 -3.185 -7.068 1.00 0.00 C ATOM 403 C GLU A 26 -18.371 -3.998 -6.732 1.00 0.00 C ATOM 404 O GLU A 26 -17.723 -4.545 -7.602 1.00 0.00 O ATOM 405 CB GLU A 26 -20.882 -4.037 -6.882 1.00 0.00 C ATOM 406 CG GLU A 26 -20.703 -5.429 -7.507 1.00 0.00 C ATOM 407 CD GLU A 26 -20.173 -5.291 -8.934 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.710 -4.482 -9.670 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.235 -5.998 -9.269 1.00 0.00 O ATOM 0 H GLU A 26 -19.986 -3.335 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.685 -2.325 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.105 -4.137 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.734 -3.535 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.011 -6.021 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.655 -5.961 -7.512 1.00 0.00 H new ATOM 416 N LYS A 27 -18.023 -4.072 -5.490 1.00 8.66 N ATOM 417 CA LYS A 27 -16.820 -4.837 -5.118 1.00 8.68 C ATOM 418 C LYS A 27 -16.937 -6.265 -5.651 1.00 6.65 C ATOM 419 O LYS A 27 -18.015 -6.818 -5.745 1.00 10.38 O ATOM 420 CB LYS A 27 -16.691 -4.816 -3.596 1.00 12.96 C ATOM 421 CG LYS A 27 -17.744 -5.740 -2.940 1.00 12.48 C ATOM 422 CD LYS A 27 -17.121 -7.107 -2.595 1.00 20.52 C ATOM 423 CE LYS A 27 -16.396 -7.029 -1.248 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.398 -7.037 -0.145 1.00 29.03 N ATOM 0 H LYS A 27 -18.521 -3.635 -4.715 1.00 8.66 H new ATOM 0 HA LYS A 27 -15.926 -4.393 -5.555 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -15.690 -5.136 -3.307 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -16.817 -3.797 -3.230 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.134 -5.273 -2.036 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.587 -5.878 -3.617 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -17.898 -7.870 -2.555 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.422 -7.405 -3.377 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -15.714 -7.872 -1.140 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -15.793 -6.123 -1.199 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -16.929 -7.289 0.748 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -17.825 -6.093 -0.057 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.140 -7.735 -0.355 1.00 29.03 H new ATOM 438 N GLY A 28 -15.833 -6.860 -6.018 1.00 5.06 N ATOM 439 CA GLY A 28 -15.878 -8.245 -6.568 1.00 4.39 C ATOM 440 C GLY A 28 -16.184 -8.185 -8.066 1.00 6.18 C ATOM 441 O GLY A 28 -16.994 -8.938 -8.568 1.00 5.61 O ATOM 0 H GLY A 28 -14.902 -6.446 -5.960 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -14.925 -8.746 -6.400 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.641 -8.829 -6.052 1.00 4.39 H new ATOM 445 N GLU A 29 -15.545 -7.289 -8.781 1.00 7.06 N ATOM 446 CA GLU A 29 -15.790 -7.161 -10.256 1.00 6.19 C ATOM 447 C GLU A 29 -14.488 -7.425 -11.016 1.00 6.67 C ATOM 448 O GLU A 29 -13.544 -6.665 -10.928 1.00 8.12 O ATOM 449 CB GLU A 29 -16.258 -5.722 -10.561 1.00 6.64 C ATOM 450 CG GLU A 29 -16.927 -5.578 -11.963 1.00 9.52 C ATOM 451 CD GLU A 29 -16.659 -6.792 -12.867 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.388 -7.763 -12.753 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.737 -6.722 -13.657 1.00 8.99 O ATOM 0 H GLU A 29 -14.859 -6.635 -8.404 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.548 -7.881 -10.564 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -16.965 -5.406 -9.794 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.403 -5.049 -10.503 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.002 -5.452 -11.838 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.554 -4.677 -12.450 1.00 9.52 H new ATOM 460 N THR A 30 -14.438 -8.471 -11.782 1.00 0.00 N ATOM 461 CA THR A 30 -13.208 -8.758 -12.572 1.00 0.00 C ATOM 462 C THR A 30 -13.154 -7.752 -13.706 1.00 0.00 C ATOM 463 O THR A 30 -13.935 -7.839 -14.630 1.00 0.00 O ATOM 464 CB THR A 30 -13.333 -10.151 -13.192 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.853 -11.056 -12.229 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.962 -10.627 -13.662 1.00 0.00 C ATOM 0 H THR A 30 -15.196 -9.144 -11.898 1.00 0.00 H new ATOM 0 HA THR A 30 -12.322 -8.702 -11.939 1.00 0.00 H new ATOM 0 HB THR A 30 -14.009 -10.108 -14.046 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.934 -11.947 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.053 -11.619 -14.103 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.572 -9.933 -14.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.280 -10.669 -12.812 1.00 0.00 H new ATOM 474 N MET A 31 -12.259 -6.804 -13.668 1.00 0.00 N ATOM 475 CA MET A 31 -12.208 -5.816 -14.784 1.00 0.00 C ATOM 476 C MET A 31 -11.022 -6.093 -15.683 1.00 0.00 C ATOM 477 O MET A 31 -9.911 -6.339 -15.260 1.00 0.00 O ATOM 478 CB MET A 31 -12.200 -4.386 -14.231 1.00 0.00 C ATOM 479 CG MET A 31 -13.611 -4.043 -13.672 1.00 0.00 C ATOM 480 SD MET A 31 -13.483 -3.529 -11.938 1.00 0.00 S ATOM 481 CE MET A 31 -12.912 -1.840 -12.256 1.00 0.00 C ATOM 0 H MET A 31 -11.571 -6.670 -12.927 1.00 0.00 H new ATOM 0 HA MET A 31 -13.104 -5.920 -15.396 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.452 -4.292 -13.444 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.926 -3.682 -15.016 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.062 -3.246 -14.264 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.265 -4.911 -13.755 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.369 -1.470 -11.386 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.252 -1.836 -13.124 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.770 -1.196 -12.450 1.00 0.00 H new ATOM 491 N GLU A 32 -11.308 -6.072 -16.941 1.00 0.00 N ATOM 492 CA GLU A 32 -10.308 -6.342 -17.990 1.00 0.00 C ATOM 493 C GLU A 32 -9.680 -5.003 -18.381 1.00 0.00 C ATOM 494 O GLU A 32 -10.282 -4.191 -19.055 1.00 0.00 O ATOM 495 CB GLU A 32 -11.048 -7.005 -19.181 1.00 0.00 C ATOM 496 CG GLU A 32 -12.585 -6.909 -18.975 1.00 0.00 C ATOM 497 CD GLU A 32 -13.291 -7.321 -20.266 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.635 -7.348 -21.295 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.477 -7.603 -20.205 1.00 0.00 O ATOM 0 H GLU A 32 -12.240 -5.869 -17.301 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.516 -7.013 -17.658 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.767 -6.514 -20.113 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.750 -8.050 -19.269 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.895 -7.556 -18.154 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.865 -5.891 -18.702 1.00 0.00 H new ATOM 506 N VAL A 33 -8.493 -4.751 -17.912 1.00 0.00 N ATOM 507 CA VAL A 33 -7.841 -3.446 -18.201 1.00 0.00 C ATOM 508 C VAL A 33 -7.593 -3.259 -19.704 1.00 0.00 C ATOM 509 O VAL A 33 -6.562 -3.650 -20.219 1.00 0.00 O ATOM 510 CB VAL A 33 -6.505 -3.370 -17.451 1.00 0.00 C ATOM 511 CG1 VAL A 33 -6.077 -1.906 -17.308 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.667 -3.985 -16.058 1.00 0.00 C ATOM 0 H VAL A 33 -7.945 -5.393 -17.340 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.509 -2.652 -17.868 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.747 -3.918 -18.010 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.128 -1.855 -16.775 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.962 -1.462 -18.297 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.836 -1.358 -16.750 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.718 -3.932 -15.524 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.427 -3.435 -15.503 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.971 -5.027 -16.154 1.00 0.00 H new ATOM 522 N ILE A 34 -8.512 -2.649 -20.412 1.00 0.00 N ATOM 523 CA ILE A 34 -8.286 -2.431 -21.879 1.00 0.00 C ATOM 524 C ILE A 34 -7.020 -1.584 -22.103 1.00 0.00 C ATOM 525 O ILE A 34 -6.179 -1.922 -22.912 1.00 0.00 O ATOM 526 CB ILE A 34 -9.472 -1.679 -22.516 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.723 -2.571 -22.523 1.00 0.00 C ATOM 528 CG2 ILE A 34 -9.105 -1.295 -23.965 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.942 -1.779 -23.032 1.00 0.00 C ATOM 0 H ILE A 34 -9.397 -2.297 -20.047 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.179 -3.413 -22.340 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.683 -0.781 -21.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.554 -3.440 -23.159 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.917 -2.944 -21.518 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.939 -0.763 -24.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.224 -0.653 -23.959 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.893 -2.198 -24.538 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.821 -2.424 -23.031 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.119 -0.924 -22.379 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.750 -1.428 -24.046 1.00 0.00 H new ATOM 541 N GLU A 35 -6.898 -0.467 -21.427 1.00 0.00 N ATOM 542 CA GLU A 35 -5.710 0.416 -21.647 1.00 0.00 C ATOM 543 C GLU A 35 -5.323 1.125 -20.366 1.00 0.00 C ATOM 544 O GLU A 35 -6.107 1.264 -19.449 1.00 0.00 O ATOM 545 CB GLU A 35 -6.047 1.462 -22.726 1.00 0.00 C ATOM 546 CG GLU A 35 -4.760 1.986 -23.371 1.00 0.00 C ATOM 547 CD GLU A 35 -4.213 0.942 -24.348 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.976 0.479 -25.178 1.00 0.00 O ATOM 549 OE2 GLU A 35 -3.039 0.623 -24.247 1.00 0.00 O ATOM 0 H GLU A 35 -7.567 -0.130 -20.735 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.872 -0.201 -21.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.689 1.018 -23.486 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.603 2.288 -22.282 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.959 2.921 -23.895 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.018 2.203 -22.602 1.00 0.00 H new ATOM 556 N LYS A 36 -4.085 1.548 -20.293 1.00 0.00 N ATOM 557 CA LYS A 36 -3.584 2.225 -19.069 1.00 0.00 C ATOM 558 C LYS A 36 -2.768 3.480 -19.433 1.00 0.00 C ATOM 559 O LYS A 36 -1.586 3.538 -19.155 1.00 0.00 O ATOM 560 CB LYS A 36 -2.674 1.223 -18.327 1.00 0.00 C ATOM 561 CG LYS A 36 -3.255 -0.211 -18.420 1.00 0.00 C ATOM 562 CD LYS A 36 -2.673 -0.962 -19.631 1.00 0.00 C ATOM 563 CE LYS A 36 -3.534 -2.199 -19.943 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.950 -1.803 -20.175 1.00 0.00 N ATOM 0 H LYS A 36 -3.397 1.450 -21.040 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.423 2.536 -18.447 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.673 1.245 -18.757 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.578 1.516 -17.281 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.030 -0.759 -17.505 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.341 -0.163 -18.504 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.641 -0.302 -20.498 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.647 -1.265 -19.423 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.144 -2.708 -20.824 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.479 -2.906 -19.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.582 -2.551 -19.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.149 -0.915 -19.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.110 -1.666 -21.193 1.00 0.00 H new ATOM 578 N PRO A 37 -3.417 4.473 -20.008 1.00 0.00 N ATOM 579 CA PRO A 37 -2.748 5.732 -20.357 1.00 0.00 C ATOM 580 C PRO A 37 -2.517 6.537 -19.085 1.00 0.00 C ATOM 581 O PRO A 37 -3.093 6.275 -18.048 1.00 0.00 O ATOM 582 CB PRO A 37 -3.728 6.472 -21.279 1.00 0.00 C ATOM 583 CG PRO A 37 -5.090 5.755 -21.138 1.00 0.00 C ATOM 584 CD PRO A 37 -4.845 4.426 -20.379 1.00 0.00 C ATOM 0 HA PRO A 37 -1.784 5.576 -20.841 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.811 7.521 -20.995 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.382 6.448 -22.312 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.798 6.381 -20.595 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.524 5.561 -22.119 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.482 4.348 -19.498 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.064 3.563 -21.008 1.00 0.00 H new ATOM 592 N GLU A 38 -1.689 7.526 -19.170 1.00 0.00 N ATOM 593 CA GLU A 38 -1.422 8.380 -17.975 1.00 0.00 C ATOM 594 C GLU A 38 -2.392 9.562 -18.005 1.00 0.00 C ATOM 595 O GLU A 38 -3.020 9.876 -17.018 1.00 0.00 O ATOM 596 CB GLU A 38 0.023 8.892 -18.029 1.00 0.00 C ATOM 597 CG GLU A 38 0.403 9.553 -16.694 1.00 0.00 C ATOM 598 CD GLU A 38 -0.172 10.971 -16.618 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.632 11.465 -17.633 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.136 11.539 -15.539 1.00 0.00 O ATOM 0 H GLU A 38 -1.180 7.788 -20.014 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.560 7.807 -17.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.702 8.065 -18.240 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.132 9.609 -18.842 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.025 8.955 -15.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.488 9.588 -16.594 1.00 0.00 H new ATOM 607 N ASN A 39 -2.521 10.185 -19.154 1.00 0.00 N ATOM 608 CA ASN A 39 -3.447 11.345 -19.332 1.00 0.00 C ATOM 609 C ASN A 39 -3.091 12.456 -18.346 1.00 0.00 C ATOM 610 O ASN A 39 -2.747 13.556 -18.730 1.00 0.00 O ATOM 611 CB ASN A 39 -4.900 10.889 -19.112 1.00 0.00 C ATOM 612 CG ASN A 39 -5.419 10.185 -20.371 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.714 10.073 -21.354 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.631 9.704 -20.378 1.00 0.00 N ATOM 0 H ASN A 39 -2.007 9.928 -19.997 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.344 11.731 -20.346 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.954 10.214 -18.258 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.529 11.748 -18.879 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.988 9.233 -21.209 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.222 9.799 -19.552 1.00 0.00 H new ATOM 621 N ASP A 40 -3.142 12.152 -17.087 1.00 0.00 N ATOM 622 CA ASP A 40 -2.792 13.143 -16.026 1.00 0.00 C ATOM 623 C ASP A 40 -3.251 12.693 -14.613 1.00 0.00 C ATOM 624 O ASP A 40 -2.483 12.771 -13.675 1.00 0.00 O ATOM 625 CB ASP A 40 -3.316 14.579 -16.362 1.00 0.00 C ATOM 626 CG ASP A 40 -2.157 15.480 -16.815 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.253 14.970 -17.457 1.00 0.00 O ATOM 628 OD2 ASP A 40 -2.196 16.661 -16.513 1.00 0.00 O ATOM 0 H ASP A 40 -3.418 11.236 -16.733 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.703 13.188 -16.007 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.070 14.523 -17.147 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.800 15.011 -15.486 1.00 0.00 H new ATOM 633 N PRO A 41 -4.467 12.258 -14.499 1.00 0.00 N ATOM 634 CA PRO A 41 -5.036 11.812 -13.215 1.00 0.00 C ATOM 635 C PRO A 41 -4.355 10.513 -12.766 1.00 0.00 C ATOM 636 O PRO A 41 -3.762 10.470 -11.711 1.00 0.00 O ATOM 637 CB PRO A 41 -6.536 11.583 -13.512 1.00 0.00 C ATOM 638 CG PRO A 41 -6.743 11.813 -15.039 1.00 0.00 C ATOM 639 CD PRO A 41 -5.366 12.176 -15.632 1.00 0.00 C ATOM 0 HA PRO A 41 -4.890 12.534 -12.411 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.834 10.573 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.152 12.270 -12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.143 10.917 -15.513 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.461 12.614 -15.214 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.033 11.420 -16.343 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.407 13.123 -16.170 1.00 0.00 H new ATOM 647 N GLU A 42 -4.464 9.477 -13.586 1.00 0.00 N ATOM 648 CA GLU A 42 -3.863 8.112 -13.309 1.00 0.00 C ATOM 649 C GLU A 42 -4.939 7.036 -13.561 1.00 0.00 C ATOM 650 O GLU A 42 -4.758 5.875 -13.255 1.00 0.00 O ATOM 651 CB GLU A 42 -3.336 7.988 -11.862 1.00 0.00 C ATOM 652 CG GLU A 42 -4.505 8.001 -10.854 1.00 0.00 C ATOM 653 CD GLU A 42 -3.962 8.072 -9.422 1.00 0.00 C ATOM 654 OE1 GLU A 42 -3.030 8.827 -9.198 1.00 0.00 O ATOM 655 OE2 GLU A 42 -4.489 7.367 -8.576 1.00 0.00 O ATOM 0 H GLU A 42 -4.966 9.525 -14.473 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.012 7.974 -13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.767 7.065 -11.755 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.654 8.810 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.154 8.855 -11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.112 7.104 -10.977 1.00 0.00 H new ATOM 662 N TRP A 43 -6.061 7.411 -14.121 1.00 14.29 N ATOM 663 CA TRP A 43 -7.143 6.413 -14.388 1.00 10.30 C ATOM 664 C TRP A 43 -6.744 5.482 -15.541 1.00 6.82 C ATOM 665 O TRP A 43 -5.805 5.743 -16.264 1.00 6.91 O ATOM 666 CB TRP A 43 -8.431 7.147 -14.747 1.00 13.39 C ATOM 667 CG TRP A 43 -8.671 8.273 -13.795 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.084 8.414 -12.585 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.563 9.413 -13.949 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.557 9.564 -11.991 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.468 10.216 -12.791 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.436 9.828 -14.972 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.207 11.383 -12.647 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.187 11.007 -14.829 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.071 11.785 -13.669 1.00 8.17 C ATOM 0 H TRP A 43 -6.276 8.367 -14.406 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.297 5.812 -13.492 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.367 7.531 -15.765 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.272 6.454 -14.720 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.362 7.736 -12.154 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.267 9.892 -11.070 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.529 9.237 -15.871 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.114 11.977 -11.750 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.857 11.315 -15.618 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.648 12.692 -13.565 1.00 8.17 H new ATOM 686 N TRP A 44 -7.455 4.389 -15.699 1.00 6.17 N ATOM 687 CA TRP A 44 -7.142 3.397 -16.782 1.00 5.58 C ATOM 688 C TRP A 44 -8.421 3.080 -17.567 1.00 6.91 C ATOM 689 O TRP A 44 -9.488 2.968 -16.996 1.00 8.86 O ATOM 690 CB TRP A 44 -6.688 2.067 -16.133 1.00 2.99 C ATOM 691 CG TRP A 44 -5.235 2.036 -15.727 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.293 2.992 -15.940 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.547 0.950 -15.032 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.089 2.556 -15.414 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.196 1.307 -14.849 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.973 -0.300 -14.544 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.292 0.457 -14.209 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.067 -1.160 -13.900 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.729 -0.782 -13.734 1.00 11.72 C ATOM 0 H TRP A 44 -8.252 4.138 -15.114 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.371 3.814 -17.429 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.303 1.878 -15.253 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.875 1.253 -16.833 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.457 3.936 -16.438 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.225 3.097 -15.442 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.003 -0.600 -14.665 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.262 0.755 -14.082 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.405 -2.117 -13.531 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.036 -1.447 -13.240 1.00 11.72 H new ATOM 710 N LYS A 45 -8.323 2.855 -18.854 1.00 0.00 N ATOM 711 CA LYS A 45 -9.545 2.457 -19.599 1.00 0.00 C ATOM 712 C LYS A 45 -9.735 0.986 -19.301 1.00 0.00 C ATOM 713 O LYS A 45 -9.103 0.150 -19.912 1.00 0.00 O ATOM 714 CB LYS A 45 -9.379 2.622 -21.116 1.00 0.00 C ATOM 715 CG LYS A 45 -10.749 2.373 -21.812 1.00 0.00 C ATOM 716 CD LYS A 45 -10.625 2.607 -23.336 1.00 0.00 C ATOM 717 CE LYS A 45 -11.978 2.377 -24.019 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.842 2.613 -25.483 1.00 0.00 N ATOM 0 H LYS A 45 -7.468 2.929 -19.406 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.386 3.081 -19.296 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.017 3.624 -21.347 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.634 1.920 -21.491 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.083 1.353 -21.619 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.504 3.040 -21.395 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.280 3.623 -23.528 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.878 1.932 -23.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.322 1.359 -23.834 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.728 3.048 -23.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.760 2.457 -25.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.532 3.592 -25.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.139 1.955 -25.877 1.00 0.00 H new ATOM 732 N CYS A 46 -10.559 0.655 -18.354 1.00 0.00 N ATOM 733 CA CYS A 46 -10.745 -0.778 -18.001 1.00 0.00 C ATOM 734 C CYS A 46 -12.162 -1.211 -18.290 1.00 0.00 C ATOM 735 O CYS A 46 -13.121 -0.607 -17.850 1.00 0.00 O ATOM 736 CB CYS A 46 -10.444 -0.980 -16.514 1.00 0.00 C ATOM 737 SG CYS A 46 -11.797 -0.302 -15.522 1.00 0.00 S ATOM 0 H CYS A 46 -11.114 1.314 -17.807 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.063 -1.380 -18.601 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.319 -2.041 -16.299 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.507 -0.489 -16.253 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.829 -0.090 -16.283 1.00 0.00 H new ATOM 743 N LYS A 47 -12.300 -2.285 -19.003 1.00 0.00 N ATOM 744 CA LYS A 47 -13.649 -2.797 -19.295 1.00 0.00 C ATOM 745 C LYS A 47 -14.074 -3.605 -18.086 1.00 0.00 C ATOM 746 O LYS A 47 -13.228 -4.174 -17.426 1.00 0.00 O ATOM 747 CB LYS A 47 -13.597 -3.705 -20.524 1.00 0.00 C ATOM 748 CG LYS A 47 -14.894 -4.516 -20.644 1.00 0.00 C ATOM 749 CD LYS A 47 -14.993 -5.123 -22.046 1.00 0.00 C ATOM 750 CE LYS A 47 -16.324 -5.860 -22.188 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.547 -6.222 -23.615 1.00 0.00 N ATOM 0 H LYS A 47 -11.532 -2.829 -19.396 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.347 -1.984 -19.496 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.451 -3.105 -21.422 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.744 -4.380 -20.450 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.912 -5.306 -19.893 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.755 -3.875 -20.453 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.917 -4.339 -22.800 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.164 -5.810 -22.216 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.321 -6.759 -21.571 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.139 -5.231 -21.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.453 -6.723 -23.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.568 -5.358 -24.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.775 -6.838 -23.942 1.00 0.00 H new ATOM 765 N ASN A 48 -15.344 -3.700 -17.768 1.00 0.00 N ATOM 766 CA ASN A 48 -15.697 -4.560 -16.579 1.00 0.00 C ATOM 767 C ASN A 48 -16.094 -5.934 -17.117 1.00 0.00 C ATOM 768 O ASN A 48 -16.877 -6.020 -18.033 1.00 0.00 O ATOM 769 CB ASN A 48 -16.786 -3.910 -15.680 1.00 0.00 C ATOM 770 CG ASN A 48 -18.217 -3.961 -16.239 1.00 0.00 C ATOM 771 OD1 ASN A 48 -19.015 -3.114 -15.901 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.614 -4.923 -17.015 1.00 0.00 N ATOM 0 H ASN A 48 -16.121 -3.247 -18.249 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.839 -4.665 -15.915 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.775 -4.405 -14.709 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.518 -2.868 -15.509 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.584 -4.957 -17.330 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.956 -5.645 -17.310 1.00 0.00 H new ATOM 779 N ALA A 49 -15.532 -7.032 -16.627 1.00 0.00 N ATOM 780 CA ALA A 49 -15.931 -8.338 -17.216 1.00 0.00 C ATOM 781 C ALA A 49 -17.455 -8.411 -17.208 1.00 0.00 C ATOM 782 O ALA A 49 -18.057 -9.170 -17.944 1.00 0.00 O ATOM 783 CB ALA A 49 -15.352 -9.494 -16.402 1.00 0.00 C ATOM 0 H ALA A 49 -14.843 -7.068 -15.875 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.548 -8.418 -18.233 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.655 -10.441 -16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.264 -9.427 -16.397 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.723 -9.440 -15.379 1.00 0.00 H new ATOM 789 N ARG A 50 -18.083 -7.589 -16.408 1.00 0.00 N ATOM 790 CA ARG A 50 -19.565 -7.579 -16.390 1.00 0.00 C ATOM 791 C ARG A 50 -20.007 -7.102 -17.770 1.00 0.00 C ATOM 792 O ARG A 50 -21.172 -7.107 -18.117 1.00 0.00 O ATOM 793 CB ARG A 50 -20.076 -6.648 -15.262 1.00 0.00 C ATOM 794 CG ARG A 50 -20.467 -7.486 -14.017 1.00 0.00 C ATOM 795 CD ARG A 50 -20.521 -6.613 -12.731 1.00 0.00 C ATOM 796 NE ARG A 50 -21.850 -6.762 -12.039 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.984 -6.585 -12.670 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.996 -6.189 -13.911 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.112 -6.779 -12.042 1.00 0.00 N ATOM 0 H ARG A 50 -17.632 -6.931 -15.773 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.979 -8.566 -16.185 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.303 -5.927 -14.997 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.937 -6.078 -15.612 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.439 -7.952 -14.182 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.746 -8.292 -13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.718 -6.905 -12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.355 -5.567 -12.989 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.868 -7.008 -11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.118 -6.014 -14.399 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.884 -6.054 -14.395 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.108 -7.067 -11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.997 -6.642 -12.530 1.00 0.00 H new ATOM 813 N GLY A 51 -19.041 -6.742 -18.573 1.00 8.07 N ATOM 814 CA GLY A 51 -19.302 -6.309 -19.965 1.00 7.79 C ATOM 815 C GLY A 51 -19.453 -4.784 -20.082 1.00 9.08 C ATOM 816 O GLY A 51 -20.213 -4.314 -20.908 1.00 14.41 O ATOM 0 H GLY A 51 -18.056 -6.732 -18.308 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.485 -6.641 -20.606 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.209 -6.791 -20.329 1.00 7.79 H new ATOM 820 N GLN A 52 -18.746 -3.991 -19.293 1.00 0.00 N ATOM 821 CA GLN A 52 -18.890 -2.489 -19.430 1.00 0.00 C ATOM 822 C GLN A 52 -17.543 -1.780 -19.351 1.00 0.00 C ATOM 823 O GLN A 52 -16.568 -2.348 -18.959 1.00 0.00 O ATOM 824 CB GLN A 52 -19.925 -1.952 -18.397 1.00 0.00 C ATOM 825 CG GLN A 52 -19.326 -0.869 -17.482 1.00 0.00 C ATOM 826 CD GLN A 52 -20.325 -0.506 -16.402 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.729 -1.336 -15.613 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.741 0.723 -16.336 1.00 0.00 N ATOM 0 H GLN A 52 -18.091 -4.306 -18.577 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.278 -2.265 -20.424 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.785 -1.543 -18.927 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.290 -2.779 -17.788 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.402 -1.231 -17.030 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -19.070 0.015 -18.067 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.397 1.414 -17.002 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.412 0.997 -15.618 1.00 0.00 H new ATOM 837 N VAL A 53 -17.482 -0.529 -19.770 1.00 0.00 N ATOM 838 CA VAL A 53 -16.173 0.201 -19.761 1.00 0.00 C ATOM 839 C VAL A 53 -16.287 1.599 -19.154 1.00 0.00 C ATOM 840 O VAL A 53 -17.328 2.224 -19.152 1.00 0.00 O ATOM 841 CB VAL A 53 -15.655 0.333 -21.203 1.00 0.00 C ATOM 842 CG1 VAL A 53 -14.160 0.652 -21.194 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.901 -0.969 -21.976 1.00 0.00 C ATOM 0 H VAL A 53 -18.277 0.009 -20.114 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.484 -0.378 -19.145 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.192 1.144 -21.694 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.801 0.744 -22.219 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.991 1.590 -20.665 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.620 -0.150 -20.691 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.530 -0.863 -22.995 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.378 -1.789 -21.483 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.970 -1.182 -21.999 1.00 0.00 H new ATOM 853 N GLY A 54 -15.182 2.078 -18.641 1.00 3.62 N ATOM 854 CA GLY A 54 -15.136 3.432 -18.017 1.00 3.70 C ATOM 855 C GLY A 54 -13.774 3.631 -17.339 1.00 4.69 C ATOM 856 O GLY A 54 -13.107 2.682 -16.975 1.00 7.25 O ATOM 0 H GLY A 54 -14.294 1.577 -18.629 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.294 4.200 -18.774 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.938 3.536 -17.286 1.00 3.70 H new ATOM 860 N LEU A 55 -13.363 4.856 -17.154 1.00 0.00 N ATOM 861 CA LEU A 55 -12.055 5.124 -16.483 1.00 0.00 C ATOM 862 C LEU A 55 -12.194 4.805 -14.988 1.00 0.00 C ATOM 863 O LEU A 55 -13.266 4.906 -14.426 1.00 0.00 O ATOM 864 CB LEU A 55 -11.698 6.609 -16.686 1.00 0.00 C ATOM 865 CG LEU A 55 -10.903 6.802 -17.990 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.523 6.096 -17.911 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.722 6.239 -19.160 1.00 0.00 C ATOM 0 H LEU A 55 -13.879 5.688 -17.440 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.265 4.504 -16.906 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.609 7.207 -16.717 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.111 6.967 -15.840 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.722 7.866 -18.143 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.982 6.248 -18.845 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.947 6.515 -17.086 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.669 5.028 -17.746 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.167 6.371 -20.089 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.908 5.178 -18.996 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.673 6.768 -19.227 1.00 0.00 H new ATOM 879 N VAL A 56 -11.126 4.407 -14.338 1.00 0.00 N ATOM 880 CA VAL A 56 -11.224 4.070 -12.885 1.00 0.00 C ATOM 881 C VAL A 56 -9.828 4.225 -12.229 1.00 0.00 C ATOM 882 O VAL A 56 -8.856 3.777 -12.805 1.00 0.00 O ATOM 883 CB VAL A 56 -11.704 2.608 -12.760 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.554 1.632 -13.044 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.242 2.345 -11.357 1.00 0.00 C ATOM 0 H VAL A 56 -10.198 4.302 -14.748 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.926 4.736 -12.384 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.496 2.453 -13.492 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.915 0.608 -12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.180 1.794 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.749 1.800 -12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.577 1.310 -11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.454 2.524 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.080 3.013 -11.158 1.00 0.00 H new ATOM 895 N PRO A 57 -9.735 4.820 -11.045 1.00 3.33 N ATOM 896 CA PRO A 57 -8.426 4.958 -10.383 1.00 2.75 C ATOM 897 C PRO A 57 -7.738 3.587 -10.346 1.00 4.32 C ATOM 898 O PRO A 57 -8.196 2.664 -9.702 1.00 4.76 O ATOM 899 CB PRO A 57 -8.744 5.492 -8.968 1.00 2.92 C ATOM 900 CG PRO A 57 -10.263 5.831 -8.931 1.00 3.30 C ATOM 901 CD PRO A 57 -10.872 5.387 -10.282 1.00 2.53 C ATOM 0 HA PRO A 57 -7.745 5.634 -10.900 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.498 4.746 -8.212 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.147 6.377 -8.748 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.751 5.316 -8.103 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.414 6.899 -8.775 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.659 4.647 -10.136 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.321 6.229 -10.809 1.00 2.53 H new ATOM 909 N LYS A 58 -6.655 3.451 -11.056 1.00 0.00 N ATOM 910 CA LYS A 58 -5.937 2.146 -11.100 1.00 0.00 C ATOM 911 C LYS A 58 -5.473 1.734 -9.698 1.00 0.00 C ATOM 912 O LYS A 58 -4.823 0.723 -9.526 1.00 0.00 O ATOM 913 CB LYS A 58 -4.732 2.284 -12.037 1.00 0.00 C ATOM 914 CG LYS A 58 -3.620 3.156 -11.387 1.00 0.00 C ATOM 915 CD LYS A 58 -2.331 3.112 -12.230 1.00 0.00 C ATOM 916 CE LYS A 58 -1.189 3.803 -11.478 1.00 0.00 C ATOM 917 NZ LYS A 58 -1.464 5.262 -11.383 1.00 0.00 N ATOM 0 H LYS A 58 -6.232 4.194 -11.613 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.611 1.373 -11.469 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.334 1.297 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.048 2.733 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.965 4.186 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.413 2.798 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.062 2.078 -12.445 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.497 3.604 -13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.087 3.376 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.245 3.634 -11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.637 5.746 -10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.658 5.641 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.290 5.420 -10.771 1.00 0.00 H new ATOM 931 N ASN A 59 -5.805 2.506 -8.693 1.00 10.56 N ATOM 932 CA ASN A 59 -5.390 2.160 -7.293 1.00 9.74 C ATOM 933 C ASN A 59 -6.583 1.553 -6.545 1.00 9.95 C ATOM 934 O ASN A 59 -6.453 1.074 -5.437 1.00 8.95 O ATOM 935 CB ASN A 59 -4.918 3.439 -6.579 1.00 10.40 C ATOM 936 CG ASN A 59 -5.786 4.623 -7.014 1.00 12.58 C ATOM 937 OD1 ASN A 59 -6.242 4.673 -8.140 1.00 14.84 O ATOM 938 ND2 ASN A 59 -6.041 5.577 -6.164 1.00 14.09 N ATOM 0 H ASN A 59 -6.348 3.365 -8.780 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.576 1.435 -7.313 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -4.980 3.308 -5.499 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -3.873 3.635 -6.817 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -6.624 6.366 -6.443 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -5.658 5.534 -5.220 1.00 14.09 H new ATOM 945 N TYR A 60 -7.744 1.574 -7.142 1.00 10.23 N ATOM 946 CA TYR A 60 -8.954 1.006 -6.471 1.00 5.50 C ATOM 947 C TYR A 60 -9.075 -0.488 -6.811 1.00 5.21 C ATOM 948 O TYR A 60 -10.066 -1.120 -6.504 1.00 7.16 O ATOM 949 CB TYR A 60 -10.202 1.747 -6.984 1.00 3.37 C ATOM 950 CG TYR A 60 -10.429 3.023 -6.198 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.359 3.876 -5.905 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.722 3.355 -5.774 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.580 5.057 -5.188 1.00 4.04 C ATOM 954 CE2 TYR A 60 -11.945 4.534 -5.057 1.00 2.69 C ATOM 955 CZ TYR A 60 -10.873 5.387 -4.764 1.00 4.45 C ATOM 956 OH TYR A 60 -11.092 6.553 -4.058 1.00 9.52 O ATOM 0 H TYR A 60 -7.909 1.962 -8.071 1.00 10.23 H new ATOM 0 HA TYR A 60 -8.867 1.125 -5.391 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.082 1.982 -8.042 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.076 1.101 -6.898 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.362 3.622 -6.233 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.549 2.698 -6.002 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.753 5.714 -4.962 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -12.942 4.787 -4.729 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.045 6.630 -3.842 1.00 9.52 H new ATOM 966 N VAL A 61 -8.082 -1.051 -7.446 1.00 5.00 N ATOM 967 CA VAL A 61 -8.147 -2.497 -7.815 1.00 4.84 C ATOM 968 C VAL A 61 -6.741 -3.100 -7.776 1.00 5.03 C ATOM 969 O VAL A 61 -5.755 -2.402 -7.913 1.00 5.61 O ATOM 970 CB VAL A 61 -8.718 -2.633 -9.239 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.110 -2.000 -9.301 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.801 -1.917 -10.240 1.00 2.97 C ATOM 0 H VAL A 61 -7.226 -0.572 -7.726 1.00 5.00 H new ATOM 0 HA VAL A 61 -8.788 -3.024 -7.108 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.782 -3.691 -9.492 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.510 -2.099 -10.310 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.771 -2.506 -8.598 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.041 -0.944 -9.039 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.211 -2.017 -11.245 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.733 -0.861 -9.980 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.807 -2.364 -10.207 1.00 2.97 H new ATOM 982 N VAL A 62 -6.642 -4.397 -7.604 1.00 0.00 N ATOM 983 CA VAL A 62 -5.293 -5.060 -7.576 1.00 0.00 C ATOM 984 C VAL A 62 -5.106 -5.828 -8.879 1.00 0.00 C ATOM 985 O VAL A 62 -6.056 -6.121 -9.558 1.00 0.00 O ATOM 986 CB VAL A 62 -5.213 -6.039 -6.402 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.161 -7.215 -6.649 1.00 0.00 C ATOM 988 CG2 VAL A 62 -3.784 -6.564 -6.268 1.00 0.00 C ATOM 0 H VAL A 62 -7.435 -5.027 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.516 -4.304 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.500 -5.524 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.103 -7.911 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.182 -6.846 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.874 -7.727 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.729 -7.261 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.497 -7.076 -7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.105 -5.730 -6.090 1.00 0.00 H new ATOM 998 N VAL A 63 -3.892 -6.153 -9.230 1.00 0.00 N ATOM 999 CA VAL A 63 -3.635 -6.907 -10.505 1.00 0.00 C ATOM 1000 C VAL A 63 -3.240 -8.349 -10.182 1.00 0.00 C ATOM 1001 O VAL A 63 -2.427 -8.600 -9.313 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.504 -6.227 -11.278 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.193 -6.355 -10.497 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.350 -6.898 -12.644 1.00 0.00 C ATOM 0 H VAL A 63 -3.057 -5.930 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.541 -6.911 -11.112 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.741 -5.172 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.390 -5.869 -11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.302 -5.878 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.953 -7.409 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.545 -6.416 -13.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.114 -7.953 -12.506 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.281 -6.804 -13.203 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.817 -9.295 -10.879 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.496 -10.736 -10.633 1.00 0.00 C ATOM 1016 C LEU A 64 -2.600 -11.255 -11.765 1.00 0.00 C ATOM 1017 O LEU A 64 -1.469 -11.643 -11.544 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.808 -11.542 -10.590 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.371 -11.587 -9.154 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -5.800 -10.181 -8.688 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.575 -12.538 -9.102 1.00 0.00 C ATOM 0 H LEU A 64 -4.503 -9.130 -11.615 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.972 -10.846 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.540 -11.091 -11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.630 -12.556 -10.949 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.588 -11.948 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.193 -10.238 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.939 -9.513 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.571 -9.796 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.971 -12.568 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.349 -12.183 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.261 -13.539 -9.399 1.00 0.00 H new ATOM 1033 N SER A 65 -3.092 -11.271 -12.979 1.00 0.00 N ATOM 1034 CA SER A 65 -2.256 -11.771 -14.110 1.00 0.00 C ATOM 1035 C SER A 65 -1.131 -10.772 -14.390 1.00 0.00 C ATOM 1036 O SER A 65 -1.259 -9.590 -14.144 1.00 0.00 O ATOM 1037 CB SER A 65 -3.122 -11.942 -15.363 1.00 0.00 C ATOM 1038 OG SER A 65 -4.112 -12.930 -15.110 1.00 0.00 O ATOM 0 H SER A 65 -4.030 -10.961 -13.233 1.00 0.00 H new ATOM 0 HA SER A 65 -1.826 -12.736 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.594 -10.995 -15.627 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.504 -12.237 -16.211 1.00 0.00 H new ATOM 0 HG SER A 65 -3.682 -13.804 -15.003 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.021 -11.242 -14.898 1.00 0.00 N ATOM 1045 CA ASP A 66 1.122 -10.325 -15.192 1.00 0.00 C ATOM 1046 C ASP A 66 1.872 -10.828 -16.428 1.00 0.00 C ATOM 1047 O ASP A 66 1.874 -12.005 -16.726 1.00 0.00 O ATOM 1048 CB ASP A 66 2.072 -10.302 -13.992 1.00 0.00 C ATOM 1049 CG ASP A 66 2.645 -11.702 -13.763 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.156 -12.630 -14.386 1.00 0.00 O ATOM 1051 OD2 ASP A 66 3.561 -11.823 -12.967 1.00 0.00 O ATOM 0 H ASP A 66 0.144 -12.223 -15.123 1.00 0.00 H new ATOM 0 HA ASP A 66 0.747 -9.319 -15.380 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.880 -9.592 -14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.541 -9.965 -13.102 1.00 0.00 H new ATOM 1056 N GLY A 67 2.510 -9.944 -17.148 1.00 0.00 N ATOM 1057 CA GLY A 67 3.260 -10.374 -18.364 1.00 0.00 C ATOM 1058 C GLY A 67 4.651 -10.886 -17.960 1.00 0.00 C ATOM 1059 O GLY A 67 4.925 -12.064 -18.092 1.00 0.00 O ATOM 0 H GLY A 67 2.544 -8.945 -16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.710 -11.158 -18.884 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.357 -9.539 -19.058 1.00 0.00 H new ATOM 1063 N PRO A 68 5.494 -9.997 -17.476 1.00 0.00 N ATOM 1064 CA PRO A 68 6.852 -10.382 -17.052 1.00 0.00 C ATOM 1065 C PRO A 68 6.767 -11.439 -15.941 1.00 0.00 C ATOM 1066 O PRO A 68 6.682 -11.118 -14.772 1.00 0.00 O ATOM 1067 CB PRO A 68 7.497 -9.068 -16.540 1.00 0.00 C ATOM 1068 CG PRO A 68 6.424 -7.945 -16.656 1.00 0.00 C ATOM 1069 CD PRO A 68 5.168 -8.564 -17.311 1.00 0.00 C ATOM 0 HA PRO A 68 7.441 -10.823 -17.856 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.826 -9.179 -15.507 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.379 -8.818 -17.130 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.184 -7.542 -15.672 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.800 -7.117 -17.256 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.287 -8.429 -16.683 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.951 -8.095 -18.271 1.00 0.00 H new ATOM 1077 N ALA A 69 6.812 -12.699 -16.304 1.00 0.00 N ATOM 1078 CA ALA A 69 6.756 -13.793 -15.295 1.00 0.00 C ATOM 1079 C ALA A 69 8.081 -14.537 -15.334 1.00 0.00 C ATOM 1080 O ALA A 69 8.223 -15.568 -15.962 1.00 0.00 O ATOM 1081 CB ALA A 69 5.621 -14.758 -15.651 1.00 0.00 C ATOM 0 H ALA A 69 6.886 -13.015 -17.271 1.00 0.00 H new ATOM 0 HA ALA A 69 6.577 -13.384 -14.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.579 -15.559 -14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.673 -14.219 -15.656 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.801 -15.183 -16.638 1.00 0.00 H new ATOM 1087 N LEU A 70 9.053 -14.012 -14.658 1.00 0.00 N ATOM 1088 CA LEU A 70 10.395 -14.660 -14.625 1.00 0.00 C ATOM 1089 C LEU A 70 10.410 -15.732 -13.534 1.00 0.00 C ATOM 1090 O LEU A 70 10.116 -15.466 -12.385 1.00 0.00 O ATOM 1091 CB LEU A 70 11.464 -13.602 -14.317 1.00 0.00 C ATOM 1092 CG LEU A 70 11.647 -12.662 -15.527 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.207 -11.316 -15.054 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.625 -13.277 -16.538 1.00 0.00 C ATOM 0 H LEU A 70 8.980 -13.150 -14.118 1.00 0.00 H new ATOM 0 HA LEU A 70 10.605 -15.118 -15.591 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.173 -13.025 -13.439 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.410 -14.089 -14.079 1.00 0.00 H new ATOM 0 HG LEU A 70 10.677 -12.518 -16.003 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.335 -10.654 -15.910 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.514 -10.862 -14.345 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.171 -11.473 -14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.744 -12.602 -17.386 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.592 -13.433 -16.060 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.234 -14.233 -16.887 1.00 0.00 H new ATOM 1106 N HIS A 71 10.752 -16.942 -13.883 1.00 0.00 N ATOM 1107 CA HIS A 71 10.785 -18.030 -12.863 1.00 0.00 C ATOM 1108 C HIS A 71 9.467 -18.036 -12.081 1.00 0.00 C ATOM 1109 CB HIS A 71 11.949 -17.786 -11.900 1.00 0.00 C ATOM 1110 CG HIS A 71 12.160 -19.011 -11.049 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.246 -20.052 -11.011 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.175 -19.373 -10.200 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.726 -20.983 -10.166 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.900 -20.617 -9.643 1.00 0.00 N ATOM 0 H HIS A 71 11.010 -17.225 -14.829 1.00 0.00 H new ATOM 0 HA HIS A 71 10.917 -18.992 -13.358 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.856 -17.558 -12.459 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.738 -16.923 -11.268 1.00 0.00 H new ATOM 0 HD2 HIS A 71 14.055 -18.781 -9.995 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.224 -21.912 -9.939 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.472 -21.138 -8.978 1.00 0.00 H new ATOM 1123 N GLY B 72 -15.143 -12.771 6.639 1.00 0.00 N ATOM 1124 CA GLY B 72 -14.109 -13.062 5.605 1.00 0.00 C ATOM 1125 C GLY B 72 -13.595 -11.748 5.012 1.00 0.00 C ATOM 1126 O GLY B 72 -13.607 -11.550 3.814 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.284 -13.621 6.048 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.532 -13.687 4.819 1.00 0.00 H new ATOM 1131 N SER B 73 -13.143 -10.849 5.843 1.00 0.00 N ATOM 1132 CA SER B 73 -12.629 -9.551 5.326 1.00 0.00 C ATOM 1133 C SER B 73 -11.212 -9.743 4.782 1.00 0.00 C ATOM 1134 O SER B 73 -10.507 -10.655 5.168 1.00 0.00 O ATOM 1135 CB SER B 73 -12.604 -8.526 6.460 1.00 0.00 C ATOM 1136 OG SER B 73 -13.827 -8.593 7.182 1.00 0.00 O ATOM 0 H SER B 73 -13.108 -10.958 6.857 1.00 0.00 H new ATOM 0 HA SER B 73 -13.280 -9.195 4.527 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.764 -8.724 7.126 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.461 -7.524 6.056 1.00 0.00 H new ATOM 0 HG SER B 73 -13.813 -7.938 7.911 1.00 0.00 H new ATOM 1142 N MET B 74 -10.789 -8.890 3.889 1.00 0.00 N ATOM 1143 CA MET B 74 -9.418 -9.025 3.322 1.00 0.00 C ATOM 1144 C MET B 74 -8.408 -9.179 4.459 1.00 0.00 C ATOM 1145 O MET B 74 -8.721 -8.962 5.612 1.00 0.00 O ATOM 1146 CB MET B 74 -9.080 -7.778 2.503 1.00 0.00 C ATOM 1147 CG MET B 74 -10.263 -7.423 1.599 1.00 0.00 C ATOM 1148 SD MET B 74 -9.749 -6.172 0.398 1.00 0.00 S ATOM 1149 CE MET B 74 -11.357 -5.361 0.213 1.00 0.00 C ATOM 0 H MET B 74 -11.333 -8.106 3.528 1.00 0.00 H new ATOM 0 HA MET B 74 -9.376 -9.904 2.679 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.854 -6.944 3.168 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.189 -7.956 1.901 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.620 -8.314 1.082 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.093 -7.048 2.198 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.736 -5.531 -0.795 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.058 -5.773 0.939 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.246 -4.290 0.383 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.197 -9.551 4.145 1.00 0.00 N ATOM 1160 CA GLY B 75 -6.168 -9.719 5.210 1.00 0.00 C ATOM 1161 C GLY B 75 -4.795 -9.917 4.569 1.00 0.00 C ATOM 1162 O GLY B 75 -4.048 -10.801 4.943 1.00 0.00 O ATOM 0 H GLY B 75 -6.876 -9.746 3.197 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -6.155 -8.843 5.859 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.415 -10.576 5.837 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.454 -9.103 3.606 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.126 -9.247 2.941 1.00 0.00 C ATOM 1168 C VAL B 76 -2.708 -7.898 2.341 1.00 0.00 C ATOM 1169 O VAL B 76 -3.473 -7.282 1.626 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.227 -10.281 1.811 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.233 -9.935 0.701 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.899 -11.679 2.331 1.00 0.00 C ATOM 0 H VAL B 76 -5.037 -8.345 3.251 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.389 -9.573 3.676 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.247 -10.264 1.426 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.309 -10.672 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.460 -8.945 0.305 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.220 -9.941 1.105 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.976 -12.398 1.515 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.885 -11.690 2.730 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.602 -11.948 3.119 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.494 -7.491 2.620 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.954 -6.241 2.084 1.00 0.00 C ATOM 1184 C PRO B 77 -0.629 -6.435 0.621 1.00 0.00 C ATOM 1185 O PRO B 77 -0.536 -7.543 0.137 1.00 0.00 O ATOM 1186 CB PRO B 77 0.328 -5.985 2.883 1.00 0.00 C ATOM 1187 CG PRO B 77 0.589 -7.244 3.742 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.565 -8.223 3.496 1.00 0.00 C ATOM 0 HA PRO B 77 -1.652 -5.408 2.166 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.167 -5.795 2.214 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.218 -5.104 3.515 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.542 -7.700 3.473 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.649 -6.981 4.798 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.213 -9.139 3.022 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -1.046 -8.512 4.431 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.454 -5.368 -0.082 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.133 -5.489 -1.518 1.00 0.00 C ATOM 1198 C ILE B 78 0.992 -4.529 -1.867 1.00 0.00 C ATOM 1199 O ILE B 78 0.896 -3.330 -1.687 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.386 -5.206 -2.337 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.428 -6.253 -1.951 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.052 -5.321 -3.820 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.837 -5.772 -2.270 1.00 0.00 C ATOM 0 H ILE B 78 -0.519 -4.414 0.274 1.00 0.00 H new ATOM 0 HA ILE B 78 0.204 -6.500 -1.749 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.766 -4.203 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.229 -7.182 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.349 -6.474 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -1.945 -5.119 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.277 -4.598 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.694 -6.328 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.557 -6.539 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.043 -4.856 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -3.921 -5.576 -3.339 1.00 0.00 H new ATOM 1215 N CYS B 79 2.072 -5.071 -2.337 1.00 0.00 N ATOM 1216 CA CYS B 79 3.245 -4.236 -2.676 1.00 0.00 C ATOM 1217 C CYS B 79 2.860 -3.195 -3.714 1.00 0.00 C ATOM 1218 O CYS B 79 2.476 -3.508 -4.824 1.00 0.00 O ATOM 1219 CB CYS B 79 4.364 -5.131 -3.208 1.00 0.00 C ATOM 1220 SG CYS B 79 5.691 -4.115 -3.897 1.00 0.00 S ATOM 0 H CYS B 79 2.193 -6.070 -2.503 1.00 0.00 H new ATOM 0 HA CYS B 79 3.595 -3.718 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.753 -5.757 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.973 -5.801 -3.973 1.00 0.00 H new ATOM 0 HG CYS B 79 6.462 -4.853 -4.639 1.00 0.00 H new ATOM 1225 N GLY B 80 2.956 -1.952 -3.349 1.00 0.00 N ATOM 1226 CA GLY B 80 2.594 -0.864 -4.295 1.00 0.00 C ATOM 1227 C GLY B 80 3.562 -0.879 -5.475 1.00 0.00 C ATOM 1228 O GLY B 80 3.464 -0.077 -6.381 1.00 0.00 O ATOM 0 H GLY B 80 3.271 -1.639 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.571 -0.998 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.633 0.101 -3.790 1.00 0.00 H new ATOM 1232 N ALA B 81 4.499 -1.785 -5.470 1.00 0.00 N ATOM 1233 CA ALA B 81 5.478 -1.851 -6.589 1.00 0.00 C ATOM 1234 C ALA B 81 4.904 -2.711 -7.714 1.00 0.00 C ATOM 1235 O ALA B 81 4.913 -2.331 -8.869 1.00 0.00 O ATOM 1236 CB ALA B 81 6.787 -2.463 -6.086 1.00 0.00 C ATOM 0 H ALA B 81 4.629 -2.483 -4.738 1.00 0.00 H new ATOM 0 HA ALA B 81 5.673 -0.847 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.504 -2.512 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.193 -1.846 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.598 -3.468 -5.710 1.00 0.00 H new ATOM 1242 N CYS B 82 4.405 -3.867 -7.380 1.00 0.00 N ATOM 1243 CA CYS B 82 3.825 -4.767 -8.416 1.00 0.00 C ATOM 1244 C CYS B 82 2.332 -4.947 -8.141 1.00 0.00 C ATOM 1245 O CYS B 82 1.660 -5.719 -8.798 1.00 0.00 O ATOM 1246 CB CYS B 82 4.523 -6.125 -8.350 1.00 0.00 C ATOM 1247 SG CYS B 82 4.830 -6.560 -6.620 1.00 0.00 S ATOM 0 H CYS B 82 4.373 -4.230 -6.427 1.00 0.00 H new ATOM 0 HA CYS B 82 3.966 -4.333 -9.406 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.905 -6.887 -8.824 1.00 0.00 H new ATOM 0 HB3 CYS B 82 5.463 -6.090 -8.900 1.00 0.00 H new ATOM 0 HG CYS B 82 6.106 -6.499 -6.377 1.00 0.00 H new ATOM 1252 N ARG B 83 1.809 -4.251 -7.167 1.00 0.00 N ATOM 1253 CA ARG B 83 0.366 -4.392 -6.849 1.00 0.00 C ATOM 1254 C ARG B 83 0.062 -5.871 -6.631 1.00 0.00 C ATOM 1255 O ARG B 83 -0.951 -6.380 -7.065 1.00 0.00 O ATOM 1256 CB ARG B 83 -0.480 -3.854 -8.010 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.252 -2.342 -8.160 1.00 0.00 C ATOM 1258 CD ARG B 83 -0.983 -1.818 -9.404 1.00 0.00 C ATOM 1259 NE ARG B 83 -0.685 -0.362 -9.609 1.00 0.00 N ATOM 1260 CZ ARG B 83 0.371 0.032 -10.272 1.00 0.00 C ATOM 1261 NH1 ARG B 83 1.281 -0.828 -10.643 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.540 1.300 -10.525 1.00 0.00 N ATOM 0 H ARG B 83 2.321 -3.592 -6.580 1.00 0.00 H new ATOM 0 HA ARG B 83 0.126 -3.824 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.213 -4.365 -8.935 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -1.535 -4.056 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -0.612 -1.822 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.815 -2.134 -8.241 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -0.675 -2.386 -10.282 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.057 -1.964 -9.291 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.320 0.336 -9.223 1.00 0.00 H new ATOM 0 HH11 ARG B 83 1.171 -1.816 -10.416 1.00 0.00 H new ATOM 0 HH12 ARG B 83 2.101 -0.511 -11.160 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.150 1.980 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG B 83 1.362 1.612 -11.042 1.00 0.00 H new ATOM 1276 N ARG B 84 0.943 -6.561 -5.953 1.00 0.00 N ATOM 1277 CA ARG B 84 0.726 -8.012 -5.690 1.00 0.00 C ATOM 1278 C ARG B 84 0.581 -8.215 -4.176 1.00 0.00 C ATOM 1279 O ARG B 84 1.244 -7.548 -3.410 1.00 0.00 O ATOM 1280 CB ARG B 84 1.935 -8.807 -6.196 1.00 0.00 C ATOM 1281 CG ARG B 84 1.858 -8.953 -7.717 1.00 0.00 C ATOM 1282 CD ARG B 84 1.024 -10.185 -8.070 1.00 0.00 C ATOM 1283 NE ARG B 84 1.697 -11.408 -7.549 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.370 -12.582 -8.015 1.00 0.00 C ATOM 1285 NH1 ARG B 84 0.449 -12.685 -8.936 1.00 0.00 N ATOM 1286 NH2 ARG B 84 1.958 -13.652 -7.558 1.00 0.00 N ATOM 0 H ARG B 84 1.807 -6.178 -5.569 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.172 -8.357 -6.203 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.858 -8.300 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.957 -9.791 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG B 84 1.412 -8.061 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG B 84 2.860 -9.047 -8.135 1.00 0.00 H new ATOM 0 HD2 ARG B 84 0.026 -10.096 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG B 84 0.902 -10.257 -9.151 1.00 0.00 H new ATOM 0 HE ARG B 84 2.414 -11.327 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG B 84 -0.014 -11.848 -9.290 1.00 0.00 H new ATOM 0 HH12 ARG B 84 0.193 -13.602 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.674 -13.572 -6.836 1.00 0.00 H new ATOM 0 HH22 ARG B 84 1.702 -14.570 -7.922 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.278 -9.124 -3.781 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.502 -9.399 -2.352 1.00 0.00 C ATOM 1302 C PRO B 85 0.812 -9.773 -1.666 1.00 0.00 C ATOM 1303 O PRO B 85 1.395 -10.803 -1.935 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.505 -10.564 -2.329 1.00 0.00 C ATOM 1305 CG PRO B 85 -1.906 -10.874 -3.787 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.084 -9.948 -4.702 1.00 0.00 C ATOM 0 HA PRO B 85 -0.884 -8.532 -1.813 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.059 -11.442 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.383 -10.300 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.710 -11.920 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -2.973 -10.709 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.449 -10.522 -5.377 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -1.732 -9.329 -5.322 1.00 0.00 H new ATOM 1314 N ILE B 86 1.277 -8.940 -0.769 1.00 0.00 N ATOM 1315 CA ILE B 86 2.553 -9.256 -0.061 1.00 0.00 C ATOM 1316 C ILE B 86 2.300 -10.419 0.901 1.00 0.00 C ATOM 1317 O ILE B 86 1.176 -10.686 1.273 1.00 0.00 O ATOM 1318 CB ILE B 86 3.050 -8.020 0.699 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.383 -6.908 -0.304 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.315 -8.373 1.487 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.161 -5.538 0.351 1.00 0.00 C ATOM 0 H ILE B 86 0.832 -8.063 -0.499 1.00 0.00 H new ATOM 0 HA ILE B 86 3.322 -9.541 -0.779 1.00 0.00 H new ATOM 0 HB ILE B 86 2.273 -7.683 1.385 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.418 -7.001 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.756 -7.004 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.666 -7.493 2.026 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.091 -9.168 2.198 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.090 -8.710 0.799 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.398 -4.750 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.119 -5.447 0.659 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.807 -5.443 1.224 1.00 0.00 H new ATOM 1333 N GLU B 87 3.324 -11.130 1.295 1.00 0.00 N ATOM 1334 CA GLU B 87 3.096 -12.287 2.215 1.00 0.00 C ATOM 1335 C GLU B 87 4.394 -12.675 2.928 1.00 0.00 C ATOM 1336 O GLU B 87 4.884 -13.781 2.794 1.00 0.00 O ATOM 1337 CB GLU B 87 2.575 -13.481 1.407 1.00 0.00 C ATOM 1338 CG GLU B 87 3.317 -13.555 0.069 1.00 0.00 C ATOM 1339 CD GLU B 87 3.109 -14.936 -0.554 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.075 -15.139 -1.165 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.991 -15.766 -0.410 1.00 0.00 O ATOM 0 H GLU B 87 4.294 -10.965 1.026 1.00 0.00 H new ATOM 0 HA GLU B 87 2.362 -11.999 2.967 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.721 -14.404 1.967 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.503 -13.378 1.236 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.950 -12.781 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.380 -13.369 0.220 1.00 0.00 H new ATOM 1348 N GLY B 88 4.940 -11.779 3.689 1.00 0.00 N ATOM 1349 CA GLY B 88 6.194 -12.071 4.435 1.00 0.00 C ATOM 1350 C GLY B 88 6.511 -10.863 5.302 1.00 0.00 C ATOM 1351 O GLY B 88 5.896 -10.638 6.325 1.00 0.00 O ATOM 0 H GLY B 88 4.567 -10.840 3.831 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.073 -12.962 5.051 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.012 -12.270 3.743 1.00 0.00 H new ATOM 1355 N ARG B 89 7.434 -10.062 4.872 1.00 0.00 N ATOM 1356 CA ARG B 89 7.773 -8.830 5.628 1.00 0.00 C ATOM 1357 C ARG B 89 7.342 -7.649 4.768 1.00 0.00 C ATOM 1358 O ARG B 89 7.763 -7.506 3.636 1.00 0.00 O ATOM 1359 CB ARG B 89 9.269 -8.772 5.901 1.00 0.00 C ATOM 1360 CG ARG B 89 9.626 -9.775 6.999 1.00 0.00 C ATOM 1361 CD ARG B 89 11.041 -9.492 7.516 1.00 0.00 C ATOM 1362 NE ARG B 89 11.801 -10.771 7.660 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.252 -11.823 8.207 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.054 -11.752 8.720 1.00 0.00 N ATOM 1365 NH2 ARG B 89 11.915 -12.946 8.265 1.00 0.00 N ATOM 0 H ARG B 89 7.976 -10.207 4.020 1.00 0.00 H new ATOM 0 HA ARG B 89 7.265 -8.812 6.592 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.825 -8.999 4.991 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.555 -7.765 6.206 1.00 0.00 H new ATOM 0 HG2 ARG B 89 8.909 -9.705 7.817 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.567 -10.791 6.610 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.562 -8.826 6.828 1.00 0.00 H new ATOM 0 HD3 ARG B 89 10.990 -8.980 8.477 1.00 0.00 H new ATOM 0 HE ARG B 89 12.763 -10.823 7.326 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.540 -10.871 8.695 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.632 -12.577 9.145 1.00 0.00 H new ATOM 0 HH21 ARG B 89 12.860 -13.001 7.884 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.489 -13.769 8.692 1.00 0.00 H new ATOM 1379 N VAL B 90 6.470 -6.835 5.275 1.00 0.00 N ATOM 1380 CA VAL B 90 5.957 -5.691 4.468 1.00 0.00 C ATOM 1381 C VAL B 90 6.679 -4.398 4.825 1.00 0.00 C ATOM 1382 O VAL B 90 7.231 -4.248 5.900 1.00 0.00 O ATOM 1383 CB VAL B 90 4.464 -5.514 4.757 1.00 0.00 C ATOM 1384 CG1 VAL B 90 3.882 -4.409 3.861 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.728 -6.829 4.476 1.00 0.00 C ATOM 0 H VAL B 90 6.085 -6.908 6.217 1.00 0.00 H new ATOM 0 HA VAL B 90 6.129 -5.907 3.413 1.00 0.00 H new ATOM 0 HB VAL B 90 4.336 -5.235 5.803 1.00 0.00 H new ATOM 0 HG11 VAL B 90 2.820 -4.290 4.074 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.399 -3.470 4.059 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.014 -4.682 2.814 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.665 -6.702 4.682 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.865 -7.106 3.431 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.130 -7.615 5.115 1.00 0.00 H new ATOM 1395 N VAL B 91 6.645 -3.444 3.932 1.00 0.00 N ATOM 1396 CA VAL B 91 7.282 -2.128 4.198 1.00 0.00 C ATOM 1397 C VAL B 91 6.200 -1.070 4.052 1.00 0.00 C ATOM 1398 O VAL B 91 5.641 -0.889 2.992 1.00 0.00 O ATOM 1399 CB VAL B 91 8.407 -1.867 3.194 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.683 -0.361 3.109 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.674 -2.583 3.665 1.00 0.00 C ATOM 0 H VAL B 91 6.196 -3.525 3.020 1.00 0.00 H new ATOM 0 HA VAL B 91 7.717 -2.107 5.197 1.00 0.00 H new ATOM 0 HB VAL B 91 8.112 -2.238 2.212 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.485 -0.178 2.393 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.781 0.156 2.783 1.00 0.00 H new ATOM 0 HG13 VAL B 91 8.980 0.010 4.090 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.480 -2.401 2.954 1.00 0.00 H new ATOM 0 HG22 VAL B 91 9.963 -2.204 4.646 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.483 -3.654 3.731 1.00 0.00 H new ATOM 1411 N ASN B 92 5.879 -0.382 5.104 1.00 0.00 N ATOM 1412 CA ASN B 92 4.813 0.646 5.007 1.00 0.00 C ATOM 1413 C ASN B 92 5.430 1.986 4.625 1.00 0.00 C ATOM 1414 O ASN B 92 6.069 2.643 5.425 1.00 0.00 O ATOM 1415 CB ASN B 92 4.100 0.767 6.352 1.00 0.00 C ATOM 1416 CG ASN B 92 3.311 -0.513 6.630 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.349 -0.498 7.371 1.00 0.00 O ATOM 1418 ND2 ASN B 92 3.680 -1.629 6.061 1.00 0.00 N ATOM 0 H ASN B 92 6.306 -0.485 6.025 1.00 0.00 H new ATOM 0 HA ASN B 92 4.092 0.354 4.243 1.00 0.00 H new ATOM 0 HB2 ASN B 92 4.827 0.938 7.146 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.429 1.626 6.343 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.160 -2.488 6.239 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.488 -1.641 5.439 1.00 0.00 H new ATOM 1425 N ALA B 93 5.240 2.398 3.404 1.00 0.00 N ATOM 1426 CA ALA B 93 5.809 3.696 2.952 1.00 0.00 C ATOM 1427 C ALA B 93 4.832 4.344 1.974 1.00 0.00 C ATOM 1428 O ALA B 93 3.988 3.684 1.403 1.00 0.00 O ATOM 1429 CB ALA B 93 7.143 3.446 2.248 1.00 0.00 C ATOM 0 H ALA B 93 4.712 1.888 2.696 1.00 0.00 H new ATOM 0 HA ALA B 93 5.970 4.352 3.807 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.563 4.396 1.916 1.00 0.00 H new ATOM 0 HB2 ALA B 93 7.835 2.966 2.940 1.00 0.00 H new ATOM 0 HB3 ALA B 93 6.984 2.798 1.386 1.00 0.00 H new ATOM 1435 N MET B 94 4.933 5.629 1.779 1.00 0.00 N ATOM 1436 CA MET B 94 3.996 6.301 0.840 1.00 0.00 C ATOM 1437 C MET B 94 2.580 6.046 1.324 1.00 0.00 C ATOM 1438 O MET B 94 1.614 6.186 0.599 1.00 0.00 O ATOM 1439 CB MET B 94 4.157 5.715 -0.565 1.00 0.00 C ATOM 1440 CG MET B 94 5.643 5.566 -0.912 1.00 0.00 C ATOM 1441 SD MET B 94 6.323 7.188 -1.332 1.00 0.00 S ATOM 1442 CE MET B 94 7.958 6.965 -0.589 1.00 0.00 C ATOM 0 H MET B 94 5.618 6.238 2.226 1.00 0.00 H new ATOM 0 HA MET B 94 4.207 7.370 0.805 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.665 4.744 -0.620 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.669 6.362 -1.294 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.185 5.139 -0.068 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.766 4.879 -1.750 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.422 7.939 -0.432 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.856 6.453 0.368 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.582 6.369 -1.255 1.00 0.00 H new ATOM 1452 N GLY B 95 2.462 5.648 2.550 1.00 0.00 N ATOM 1453 CA GLY B 95 1.120 5.348 3.112 1.00 0.00 C ATOM 1454 C GLY B 95 0.604 4.072 2.449 1.00 0.00 C ATOM 1455 O GLY B 95 -0.584 3.843 2.344 1.00 0.00 O ATOM 0 H GLY B 95 3.241 5.515 3.195 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.180 5.218 4.193 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.436 6.176 2.928 1.00 0.00 H new ATOM 1459 N LYS B 96 1.509 3.254 1.990 1.00 0.00 N ATOM 1460 CA LYS B 96 1.122 1.988 1.305 1.00 0.00 C ATOM 1461 C LYS B 96 1.902 0.819 1.906 1.00 0.00 C ATOM 1462 O LYS B 96 2.338 0.857 3.036 1.00 0.00 O ATOM 1463 CB LYS B 96 1.472 2.110 -0.183 1.00 0.00 C ATOM 1464 CG LYS B 96 0.645 3.237 -0.828 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.095 2.700 -2.058 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.721 3.864 -2.829 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.820 4.462 -2.020 1.00 0.00 N ATOM 0 H LYS B 96 2.514 3.411 2.061 1.00 0.00 H new ATOM 0 HA LYS B 96 0.054 1.812 1.431 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.536 2.316 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.273 1.166 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -0.070 3.634 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.298 4.061 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.596 2.154 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.869 1.996 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS B 96 0.035 4.618 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.108 3.514 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.333 5.161 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.476 3.713 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.419 4.930 -1.182 1.00 0.00 H new ATOM 1481 N GLN B 97 2.073 -0.215 1.137 1.00 0.00 N ATOM 1482 CA GLN B 97 2.820 -1.414 1.595 1.00 0.00 C ATOM 1483 C GLN B 97 3.753 -1.811 0.452 1.00 0.00 C ATOM 1484 O GLN B 97 3.407 -1.660 -0.703 1.00 0.00 O ATOM 1485 CB GLN B 97 1.814 -2.530 1.879 1.00 0.00 C ATOM 1486 CG GLN B 97 1.147 -2.272 3.245 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.336 -2.666 3.210 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -1.042 -2.491 4.181 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.840 -3.195 2.130 1.00 0.00 N ATOM 0 H GLN B 97 1.716 -0.280 0.184 1.00 0.00 H new ATOM 0 HA GLN B 97 3.393 -1.224 2.502 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.060 -2.565 1.093 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.316 -3.497 1.882 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.661 -2.842 4.019 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.242 -1.218 3.508 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.250 -3.344 1.312 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.825 -3.460 2.104 1.00 0.00 H new ATOM 1498 N TRP B 98 4.940 -2.278 0.733 1.00 0.00 N ATOM 1499 CA TRP B 98 5.863 -2.623 -0.386 1.00 0.00 C ATOM 1500 C TRP B 98 6.653 -3.889 -0.060 1.00 0.00 C ATOM 1501 O TRP B 98 7.112 -4.072 1.048 1.00 0.00 O ATOM 1502 CB TRP B 98 6.835 -1.456 -0.576 1.00 0.00 C ATOM 1503 CG TRP B 98 6.058 -0.196 -0.789 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.543 0.581 0.189 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.702 0.440 -2.046 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.884 1.654 -0.392 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.956 1.609 -1.769 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.950 0.113 -3.383 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.473 2.423 -2.792 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.472 0.927 -4.415 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.733 2.079 -4.123 1.00 0.00 C ATOM 0 H TRP B 98 5.306 -2.434 1.672 1.00 0.00 H new ATOM 0 HA TRP B 98 5.287 -2.801 -1.294 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.478 -1.357 0.299 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.485 -1.645 -1.430 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.630 0.397 1.250 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.405 2.386 0.133 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.516 -0.776 -3.621 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.904 3.311 -2.560 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.674 0.665 -5.443 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.364 2.702 -4.924 1.00 0.00 H new ATOM 1522 N HIS B 99 6.856 -4.756 -1.024 1.00 0.00 N ATOM 1523 CA HIS B 99 7.658 -5.976 -0.733 1.00 0.00 C ATOM 1524 C HIS B 99 9.008 -5.501 -0.207 1.00 0.00 C ATOM 1525 O HIS B 99 9.633 -4.634 -0.786 1.00 0.00 O ATOM 1526 CB HIS B 99 7.893 -6.797 -2.006 1.00 0.00 C ATOM 1527 CG HIS B 99 6.697 -7.656 -2.307 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.943 -7.486 -3.455 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.128 -8.709 -1.638 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.967 -8.413 -3.443 1.00 0.00 C ATOM 1531 NE2 HIS B 99 5.036 -9.186 -2.355 1.00 0.00 N ATOM 0 H HIS B 99 6.507 -4.671 -1.979 1.00 0.00 H new ATOM 0 HA HIS B 99 7.131 -6.604 -0.015 1.00 0.00 H new ATOM 0 HB2 HIS B 99 8.089 -6.130 -2.845 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.777 -7.424 -1.884 1.00 0.00 H new ATOM 0 HD1 HIS B 99 6.099 -6.785 -4.179 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.475 -9.108 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS B 99 4.221 -8.519 -4.217 1.00 0.00 H new ATOM 1539 N VAL B 100 9.472 -6.046 0.871 1.00 0.00 N ATOM 1540 CA VAL B 100 10.783 -5.604 1.402 1.00 0.00 C ATOM 1541 C VAL B 100 11.812 -5.707 0.282 1.00 0.00 C ATOM 1542 O VAL B 100 12.902 -5.179 0.366 1.00 0.00 O ATOM 1543 CB VAL B 100 11.178 -6.515 2.557 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.685 -6.432 2.793 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.432 -6.070 3.816 1.00 0.00 C ATOM 0 H VAL B 100 9.004 -6.776 1.408 1.00 0.00 H new ATOM 0 HA VAL B 100 10.730 -4.576 1.759 1.00 0.00 H new ATOM 0 HB VAL B 100 10.916 -7.546 2.317 1.00 0.00 H new ATOM 0 HG11 VAL B 100 12.960 -7.086 3.620 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.212 -6.745 1.892 1.00 0.00 H new ATOM 0 HG13 VAL B 100 12.959 -5.405 3.035 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.708 -6.716 4.650 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.698 -5.040 4.052 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.358 -6.137 3.645 1.00 0.00 H new ATOM 1555 N GLU B 101 11.468 -6.403 -0.760 1.00 0.00 N ATOM 1556 CA GLU B 101 12.410 -6.579 -1.895 1.00 0.00 C ATOM 1557 C GLU B 101 12.131 -5.545 -2.993 1.00 0.00 C ATOM 1558 O GLU B 101 13.012 -5.191 -3.753 1.00 0.00 O ATOM 1559 CB GLU B 101 12.238 -7.990 -2.466 1.00 0.00 C ATOM 1560 CG GLU B 101 13.021 -8.133 -3.774 1.00 0.00 C ATOM 1561 CD GLU B 101 14.473 -7.702 -3.553 1.00 0.00 C ATOM 1562 OE1 GLU B 101 15.155 -8.364 -2.786 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.878 -6.721 -4.155 1.00 0.00 O ATOM 0 H GLU B 101 10.565 -6.863 -0.876 1.00 0.00 H new ATOM 0 HA GLU B 101 13.430 -6.438 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.587 -8.727 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU B 101 11.182 -8.192 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.986 -9.166 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.564 -7.521 -4.552 1.00 0.00 H new ATOM 1570 N HIS B 102 10.916 -5.067 -3.102 1.00 0.00 N ATOM 1571 CA HIS B 102 10.605 -4.072 -4.178 1.00 0.00 C ATOM 1572 C HIS B 102 10.636 -2.649 -3.625 1.00 0.00 C ATOM 1573 O HIS B 102 10.557 -1.693 -4.372 1.00 0.00 O ATOM 1574 CB HIS B 102 9.224 -4.364 -4.774 1.00 0.00 C ATOM 1575 CG HIS B 102 9.241 -5.720 -5.430 1.00 0.00 C ATOM 1576 ND1 HIS B 102 8.108 -6.524 -5.538 1.00 0.00 N ATOM 1577 CD2 HIS B 102 10.255 -6.428 -6.028 1.00 0.00 C ATOM 1578 CE1 HIS B 102 8.475 -7.649 -6.179 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.769 -7.643 -6.497 1.00 0.00 N ATOM 0 H HIS B 102 10.132 -5.319 -2.500 1.00 0.00 H new ATOM 0 HA HIS B 102 11.363 -4.159 -4.956 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.465 -4.335 -3.993 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.961 -3.598 -5.503 1.00 0.00 H new ATOM 0 HD2 HIS B 102 11.277 -6.091 -6.120 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.801 -8.461 -6.409 1.00 0.00 H new ATOM 0 HE2 HIS B 102 10.291 -8.373 -6.981 1.00 0.00 H new ATOM 1587 N PHE B 103 10.784 -2.477 -2.343 1.00 0.00 N ATOM 1588 CA PHE B 103 10.853 -1.092 -1.814 1.00 0.00 C ATOM 1589 C PHE B 103 12.269 -0.601 -2.048 1.00 0.00 C ATOM 1590 O PHE B 103 13.205 -1.045 -1.412 1.00 0.00 O ATOM 1591 CB PHE B 103 10.524 -1.042 -0.321 1.00 0.00 C ATOM 1592 CG PHE B 103 10.277 0.399 0.067 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.234 1.118 -0.534 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.100 1.027 1.012 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.014 2.454 -0.191 1.00 0.00 C ATOM 1596 CE2 PHE B 103 10.875 2.365 1.353 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.834 3.079 0.750 1.00 0.00 C ATOM 0 H PHE B 103 10.859 -3.222 -1.650 1.00 0.00 H new ATOM 0 HA PHE B 103 10.121 -0.464 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.644 -1.648 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.346 -1.456 0.262 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.599 0.638 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE B 103 11.907 0.479 1.476 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.208 3.004 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.507 2.848 2.084 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.665 4.113 1.012 1.00 0.00 H new ATOM 1607 N VAL B 104 12.445 0.268 -2.995 1.00 0.00 N ATOM 1608 CA VAL B 104 13.810 0.751 -3.324 1.00 0.00 C ATOM 1609 C VAL B 104 13.838 2.263 -3.464 1.00 0.00 C ATOM 1610 O VAL B 104 12.829 2.938 -3.429 1.00 0.00 O ATOM 1611 CB VAL B 104 14.226 0.151 -4.668 1.00 0.00 C ATOM 1612 CG1 VAL B 104 14.188 -1.384 -4.613 1.00 0.00 C ATOM 1613 CG2 VAL B 104 13.264 0.653 -5.750 1.00 0.00 C ATOM 0 H VAL B 104 11.697 0.669 -3.561 1.00 0.00 H new ATOM 0 HA VAL B 104 14.484 0.453 -2.521 1.00 0.00 H new ATOM 0 HB VAL B 104 15.246 0.459 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.487 -1.790 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.873 -1.738 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL B 104 13.176 -1.715 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.549 0.232 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL B 104 12.248 0.343 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL B 104 13.309 1.741 -5.801 1.00 0.00 H new ATOM 1623 N CYS B 105 15.013 2.783 -3.658 1.00 0.00 N ATOM 1624 CA CYS B 105 15.177 4.245 -3.846 1.00 0.00 C ATOM 1625 C CYS B 105 14.440 4.678 -5.111 1.00 0.00 C ATOM 1626 O CYS B 105 14.322 3.929 -6.059 1.00 0.00 O ATOM 1627 CB CYS B 105 16.667 4.538 -3.991 1.00 0.00 C ATOM 1628 SG CYS B 105 16.916 6.132 -4.812 1.00 0.00 S ATOM 0 H CYS B 105 15.880 2.247 -3.695 1.00 0.00 H new ATOM 0 HA CYS B 105 14.768 4.790 -2.995 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.140 4.549 -3.009 1.00 0.00 H new ATOM 0 HB3 CYS B 105 17.146 3.746 -4.566 1.00 0.00 H new ATOM 0 HG CYS B 105 18.177 6.447 -4.776 1.00 0.00 H new ATOM 1633 N ALA B 106 13.937 5.877 -5.132 1.00 0.00 N ATOM 1634 CA ALA B 106 13.203 6.356 -6.331 1.00 0.00 C ATOM 1635 C ALA B 106 14.172 7.071 -7.281 1.00 0.00 C ATOM 1636 O ALA B 106 13.793 7.955 -8.021 1.00 0.00 O ATOM 1637 CB ALA B 106 12.109 7.320 -5.880 1.00 0.00 C ATOM 0 H ALA B 106 14.003 6.549 -4.367 1.00 0.00 H new ATOM 0 HA ALA B 106 12.757 5.512 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.561 7.681 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.424 6.804 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.560 8.165 -5.360 1.00 0.00 H new ATOM 1643 N LYS B 107 15.425 6.690 -7.259 1.00 0.00 N ATOM 1644 CA LYS B 107 16.431 7.342 -8.159 1.00 0.00 C ATOM 1645 C LYS B 107 17.373 6.287 -8.746 1.00 0.00 C ATOM 1646 O LYS B 107 17.872 6.433 -9.844 1.00 0.00 O ATOM 1647 CB LYS B 107 17.266 8.347 -7.355 1.00 0.00 C ATOM 1648 CG LYS B 107 18.243 9.080 -8.283 1.00 0.00 C ATOM 1649 CD LYS B 107 17.464 9.845 -9.363 1.00 0.00 C ATOM 1650 CE LYS B 107 18.247 11.095 -9.777 1.00 0.00 C ATOM 1651 NZ LYS B 107 18.004 12.183 -8.785 1.00 0.00 N ATOM 0 H LYS B 107 15.797 5.955 -6.657 1.00 0.00 H new ATOM 0 HA LYS B 107 15.901 7.851 -8.964 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.610 9.066 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.817 7.829 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.856 9.772 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.921 8.365 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS B 107 17.299 9.204 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.482 10.128 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS B 107 19.312 10.869 -9.832 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.938 11.418 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 18.072 13.106 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 17.055 12.073 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.716 12.129 -8.029 1.00 0.00 H new ATOM 1665 N CYS B 108 17.638 5.238 -8.013 1.00 0.00 N ATOM 1666 CA CYS B 108 18.573 4.184 -8.519 1.00 0.00 C ATOM 1667 C CYS B 108 17.930 2.806 -8.392 1.00 0.00 C ATOM 1668 O CYS B 108 18.383 1.847 -8.983 1.00 0.00 O ATOM 1669 CB CYS B 108 19.844 4.222 -7.676 1.00 0.00 C ATOM 1670 SG CYS B 108 19.430 3.779 -5.974 1.00 0.00 S ATOM 0 H CYS B 108 17.249 5.063 -7.086 1.00 0.00 H new ATOM 0 HA CYS B 108 18.802 4.372 -9.568 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.583 3.529 -8.077 1.00 0.00 H new ATOM 0 HB3 CYS B 108 20.289 5.217 -7.709 1.00 0.00 H new ATOM 0 HG CYS B 108 18.680 4.705 -5.455 1.00 0.00 H new ATOM 1675 N GLU B 109 16.877 2.696 -7.629 1.00 0.00 N ATOM 1676 CA GLU B 109 16.204 1.385 -7.463 1.00 0.00 C ATOM 1677 C GLU B 109 17.066 0.453 -6.615 1.00 0.00 C ATOM 1678 O GLU B 109 17.258 -0.699 -6.945 1.00 0.00 O ATOM 1679 CB GLU B 109 15.930 0.745 -8.829 1.00 0.00 C ATOM 1680 CG GLU B 109 15.479 1.817 -9.830 1.00 0.00 C ATOM 1681 CD GLU B 109 14.577 1.185 -10.891 1.00 0.00 C ATOM 1682 OE1 GLU B 109 13.403 1.002 -10.614 1.00 0.00 O ATOM 1683 OE2 GLU B 109 15.077 0.893 -11.965 1.00 0.00 O ATOM 0 H GLU B 109 16.454 3.466 -7.111 1.00 0.00 H new ATOM 0 HA GLU B 109 15.253 1.548 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.829 0.250 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU B 109 15.161 -0.021 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.944 2.611 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU B 109 16.348 2.275 -10.303 1.00 0.00 H new ATOM 1690 N LYS B 110 17.563 0.939 -5.505 1.00 0.00 N ATOM 1691 CA LYS B 110 18.380 0.071 -4.610 1.00 0.00 C ATOM 1692 C LYS B 110 17.481 -0.367 -3.442 1.00 0.00 C ATOM 1693 O LYS B 110 17.107 0.450 -2.624 1.00 0.00 O ATOM 1694 CB LYS B 110 19.576 0.863 -4.070 1.00 0.00 C ATOM 1695 CG LYS B 110 20.638 -0.106 -3.532 1.00 0.00 C ATOM 1696 CD LYS B 110 20.459 -0.293 -2.024 1.00 0.00 C ATOM 1697 CE LYS B 110 21.537 -1.243 -1.494 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.879 -0.762 -1.932 1.00 0.00 N ATOM 0 H LYS B 110 17.437 1.898 -5.182 1.00 0.00 H new ATOM 0 HA LYS B 110 18.755 -0.796 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS B 110 20.001 1.482 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.250 1.537 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.555 -1.068 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.635 0.280 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.527 0.670 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.469 -0.696 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.493 -1.290 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.362 -2.253 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.609 -1.149 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 23.060 -1.078 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.905 0.277 -1.895 1.00 0.00 H new ATOM 1712 N PRO B 111 17.118 -1.632 -3.411 1.00 0.00 N ATOM 1713 CA PRO B 111 16.217 -2.153 -2.368 1.00 0.00 C ATOM 1714 C PRO B 111 16.879 -2.177 -0.996 1.00 0.00 C ATOM 1715 O PRO B 111 18.020 -2.564 -0.838 1.00 0.00 O ATOM 1716 CB PRO B 111 15.893 -3.584 -2.808 1.00 0.00 C ATOM 1717 CG PRO B 111 16.795 -3.916 -4.016 1.00 0.00 C ATOM 1718 CD PRO B 111 17.566 -2.638 -4.391 1.00 0.00 C ATOM 0 HA PRO B 111 15.334 -1.522 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO B 111 16.071 -4.285 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.841 -3.672 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.487 -4.721 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO B 111 16.195 -4.261 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.643 -2.794 -4.335 1.00 0.00 H new ATOM 0 HD3 PRO B 111 17.342 -2.325 -5.411 1.00 0.00 H new ATOM 1726 N PHE B 112 16.138 -1.793 -0.001 1.00 0.00 N ATOM 1727 CA PHE B 112 16.676 -1.816 1.392 1.00 0.00 C ATOM 1728 C PHE B 112 16.250 -3.119 2.066 1.00 0.00 C ATOM 1729 O PHE B 112 15.615 -3.107 3.104 1.00 0.00 O ATOM 1730 CB PHE B 112 16.826 -0.387 2.982 1.00 0.00 C ATOM 1731 CG PHE B 112 15.938 0.549 1.300 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.788 0.654 0.513 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.906 1.554 1.263 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.606 1.768 -0.314 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.729 2.666 0.437 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.579 2.775 -0.351 1.00 0.00 C ATOM 0 H PHE B 112 15.177 -1.462 -0.088 1.00 0.00 H new ATOM 0 HA PHE B 112 17.638 -1.527 0.969 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.227 -0.534 3.881 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.814 -0.061 3.307 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.040 -0.124 0.543 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.793 1.472 1.874 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.717 1.851 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.480 3.442 0.407 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.441 3.636 -0.988 1.00 0.00 H new ATOM 1745 N LEU B 113 16.585 -4.239 1.492 1.00 0.00 N ATOM 1746 CA LEU B 113 16.188 -5.542 2.109 1.00 0.00 C ATOM 1747 C LEU B 113 16.330 -5.437 3.628 1.00 0.00 C ATOM 1748 O LEU B 113 15.397 -5.666 4.372 1.00 0.00 O ATOM 1749 CB LEU B 113 17.112 -6.647 1.592 1.00 0.00 C ATOM 1750 CG LEU B 113 16.547 -7.215 0.287 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.416 -6.091 -0.723 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.486 -8.285 -0.270 1.00 0.00 C ATOM 0 H LEU B 113 17.115 -4.313 0.624 1.00 0.00 H new ATOM 0 HA LEU B 113 15.156 -5.776 1.848 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.113 -6.250 1.425 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.203 -7.438 2.336 1.00 0.00 H new ATOM 0 HG LEU B 113 15.572 -7.663 0.480 1.00 0.00 H new ATOM 0 HD11 LEU B 113 16.014 -6.485 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.743 -5.327 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.396 -5.651 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU B 113 17.075 -8.682 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.464 -7.845 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.590 -9.092 0.456 1.00 0.00 H new ATOM 1764 N GLY B 114 17.494 -5.073 4.084 1.00 0.00 N ATOM 1765 CA GLY B 114 17.723 -4.927 5.547 1.00 0.00 C ATOM 1766 C GLY B 114 18.488 -3.629 5.803 1.00 0.00 C ATOM 1767 O GLY B 114 19.264 -3.527 6.733 1.00 0.00 O ATOM 0 H GLY B 114 18.305 -4.868 3.500 1.00 0.00 H new ATOM 0 HA2 GLY B 114 16.771 -4.914 6.078 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.288 -5.778 5.927 1.00 0.00 H new ATOM 1771 N HIS B 115 18.279 -2.640 4.976 1.00 0.00 N ATOM 1772 CA HIS B 115 18.998 -1.339 5.153 1.00 0.00 C ATOM 1773 C HIS B 115 17.993 -0.223 5.457 1.00 0.00 C ATOM 1774 O HIS B 115 16.799 -0.443 5.507 1.00 0.00 O ATOM 1775 CB HIS B 115 19.765 -1.001 3.869 1.00 0.00 C ATOM 1776 CG HIS B 115 20.218 -2.270 3.200 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.193 -2.429 1.823 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.709 -3.446 3.706 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.656 -3.663 1.551 1.00 0.00 C ATOM 1780 NE2 HIS B 115 20.986 -4.326 2.662 1.00 0.00 N ATOM 0 H HIS B 115 17.640 -2.675 4.182 1.00 0.00 H new ATOM 0 HA HIS B 115 19.697 -1.427 5.985 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.128 -0.430 3.193 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.626 -0.374 4.102 1.00 0.00 H new ATOM 0 HD2 HIS B 115 20.858 -3.658 4.754 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.749 -4.068 0.554 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.360 -5.272 2.731 1.00 0.00 H new ATOM 1788 N ARG B 116 18.475 0.974 5.660 1.00 0.00 N ATOM 1789 CA ARG B 116 17.563 2.117 5.961 1.00 0.00 C ATOM 1790 C ARG B 116 17.233 2.856 4.662 1.00 0.00 C ATOM 1791 O ARG B 116 18.058 2.972 3.776 1.00 0.00 O ATOM 1792 CB ARG B 116 18.265 3.078 6.931 1.00 0.00 C ATOM 1793 CG ARG B 116 17.556 4.438 6.930 1.00 0.00 C ATOM 1794 CD ARG B 116 18.026 5.263 8.129 1.00 0.00 C ATOM 1795 NE ARG B 116 17.183 6.487 8.250 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.199 7.183 9.354 1.00 0.00 C ATOM 1797 NH1 ARG B 116 17.952 6.807 10.352 1.00 0.00 N ATOM 1798 NH2 ARG B 116 16.458 8.252 9.462 1.00 0.00 N ATOM 0 H ARG B 116 19.467 1.211 5.630 1.00 0.00 H new ATOM 0 HA ARG B 116 16.643 1.747 6.413 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.262 2.658 7.937 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.308 3.203 6.641 1.00 0.00 H new ATOM 0 HG2 ARG B 116 17.770 4.970 6.003 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.476 4.296 6.974 1.00 0.00 H new ATOM 0 HD2 ARG B 116 17.958 4.670 9.041 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.073 5.540 8.006 1.00 0.00 H new ATOM 0 HE ARG B 116 16.594 6.780 7.470 1.00 0.00 H new ATOM 0 HH11 ARG B 116 18.528 5.969 10.269 1.00 0.00 H new ATOM 0 HH12 ARG B 116 17.964 7.351 11.215 1.00 0.00 H new ATOM 0 HH21 ARG B 116 15.867 8.543 8.684 1.00 0.00 H new ATOM 0 HH22 ARG B 116 16.470 8.796 10.325 1.00 0.00 H new ATOM 1812 N HIS B 117 16.032 3.369 4.544 1.00 0.00 N ATOM 1813 CA HIS B 117 15.656 4.116 3.307 1.00 0.00 C ATOM 1814 C HIS B 117 15.363 5.568 3.656 1.00 0.00 C ATOM 1815 O HIS B 117 15.278 5.942 4.809 1.00 0.00 O ATOM 1816 CB HIS B 117 14.408 3.504 2.675 1.00 0.00 C ATOM 1817 CG HIS B 117 13.407 3.192 3.751 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.401 1.986 4.431 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.368 3.923 4.273 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.388 2.025 5.320 1.00 0.00 C ATOM 1821 NE2 HIS B 117 11.728 3.184 5.263 1.00 0.00 N ATOM 0 H HIS B 117 15.299 3.302 5.250 1.00 0.00 H new ATOM 0 HA HIS B 117 16.486 4.058 2.602 1.00 0.00 H new ATOM 0 HB2 HIS B 117 13.977 4.195 1.951 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.670 2.596 2.132 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.090 4.919 3.962 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.141 1.219 5.995 1.00 0.00 H new ATOM 0 HE2 HIS B 117 10.926 3.467 5.825 1.00 0.00 H new ATOM 1829 N TYR B 118 15.227 6.387 2.657 1.00 0.00 N ATOM 1830 CA TYR B 118 14.959 7.828 2.891 1.00 0.00 C ATOM 1831 C TYR B 118 13.804 8.274 1.985 1.00 0.00 C ATOM 1832 O TYR B 118 13.717 7.881 0.840 1.00 0.00 O ATOM 1833 CB TYR B 118 16.247 8.583 2.572 1.00 0.00 C ATOM 1834 CG TYR B 118 17.387 7.868 3.264 1.00 0.00 C ATOM 1835 CD1 TYR B 118 17.803 6.606 2.812 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.011 8.442 4.378 1.00 0.00 C ATOM 1837 CE1 TYR B 118 18.830 5.925 3.470 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.036 7.753 5.036 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.443 6.500 4.585 1.00 0.00 C ATOM 1840 OH TYR B 118 20.449 5.824 5.246 1.00 0.00 O ATOM 0 H TYR B 118 15.291 6.116 1.676 1.00 0.00 H new ATOM 0 HA TYR B 118 14.667 8.028 3.922 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.414 8.615 1.495 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.179 9.615 2.915 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.327 6.159 1.952 1.00 0.00 H new ATOM 0 HD2 TYR B 118 17.702 9.415 4.729 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.149 4.956 3.117 1.00 0.00 H new ATOM 0 HE2 TYR B 118 19.514 8.195 5.898 1.00 0.00 H new ATOM 0 HH TYR B 118 20.718 5.042 4.720 1.00 0.00 H new ATOM 1850 N GLU B 119 12.893 9.060 2.505 1.00 0.00 N ATOM 1851 CA GLU B 119 11.712 9.493 1.691 1.00 0.00 C ATOM 1852 C GLU B 119 11.828 10.960 1.284 1.00 0.00 C ATOM 1853 O GLU B 119 12.373 11.780 1.996 1.00 0.00 O ATOM 1854 CB GLU B 119 10.440 9.307 2.522 1.00 0.00 C ATOM 1855 CG GLU B 119 9.978 7.852 2.436 1.00 0.00 C ATOM 1856 CD GLU B 119 8.873 7.603 3.463 1.00 0.00 C ATOM 1857 OE1 GLU B 119 7.720 7.825 3.131 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.196 7.193 4.567 1.00 0.00 O ATOM 0 H GLU B 119 12.915 9.421 3.459 1.00 0.00 H new ATOM 0 HA GLU B 119 11.675 8.886 0.787 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.629 9.578 3.561 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.655 9.970 2.158 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.611 7.635 1.433 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.818 7.182 2.621 1.00 0.00 H new ATOM 1865 N ARG B 120 11.296 11.296 0.138 1.00 0.00 N ATOM 1866 CA ARG B 120 11.347 12.712 -0.331 1.00 0.00 C ATOM 1867 C ARG B 120 10.155 13.013 -1.244 1.00 0.00 C ATOM 1868 O ARG B 120 9.882 12.302 -2.191 1.00 0.00 O ATOM 1869 CB ARG B 120 12.638 12.960 -1.105 1.00 0.00 C ATOM 1870 CG ARG B 120 12.742 14.452 -1.471 1.00 0.00 C ATOM 1871 CD ARG B 120 12.882 14.607 -2.987 1.00 0.00 C ATOM 1872 NE ARG B 120 11.808 13.836 -3.674 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.566 14.044 -4.940 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.266 14.924 -5.602 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.626 13.367 -5.543 1.00 0.00 N ATOM 0 H ARG B 120 10.827 10.648 -0.495 1.00 0.00 H new ATOM 0 HA ARG B 120 11.310 13.364 0.542 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.497 12.662 -0.504 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.655 12.351 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.857 14.984 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.600 14.900 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.819 15.660 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.861 14.252 -3.309 1.00 0.00 H new ATOM 0 HE ARG B 120 11.263 13.147 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG B 120 13.002 15.449 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG B 120 12.077 15.087 -6.591 1.00 0.00 H new ATOM 0 HH21 ARG B 120 10.082 12.677 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.436 13.528 -6.532 1.00 0.00 H new ATOM 1889 N LYS B 121 9.453 14.076 -0.963 1.00 0.00 N ATOM 1890 CA LYS B 121 8.283 14.460 -1.795 1.00 0.00 C ATOM 1891 C LYS B 121 7.358 13.268 -1.953 1.00 0.00 C ATOM 1892 O LYS B 121 6.574 13.191 -2.879 1.00 0.00 O ATOM 1893 CB LYS B 121 8.752 14.931 -3.172 1.00 0.00 C ATOM 1894 CG LYS B 121 9.495 16.261 -3.038 1.00 0.00 C ATOM 1895 CD LYS B 121 9.630 16.914 -4.416 1.00 0.00 C ATOM 1896 CE LYS B 121 10.327 18.267 -4.272 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.399 19.240 -3.634 1.00 0.00 N ATOM 0 H LYS B 121 9.645 14.702 -0.181 1.00 0.00 H new ATOM 0 HA LYS B 121 7.748 15.273 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.405 14.182 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.897 15.047 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.956 16.924 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.481 16.096 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.201 16.268 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.646 17.046 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.229 18.161 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.638 18.633 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.765 20.205 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.460 19.164 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.323 19.032 -2.618 1.00 0.00 H new ATOM 1911 N GLY B 122 7.435 12.336 -1.052 1.00 0.00 N ATOM 1912 CA GLY B 122 6.547 11.154 -1.152 1.00 0.00 C ATOM 1913 C GLY B 122 7.192 10.099 -2.041 1.00 0.00 C ATOM 1914 O GLY B 122 6.525 9.338 -2.711 1.00 0.00 O ATOM 0 H GLY B 122 8.071 12.341 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.361 10.743 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.581 11.447 -1.562 1.00 0.00 H new ATOM 1918 N LEU B 123 8.489 10.050 -2.046 1.00 0.00 N ATOM 1919 CA LEU B 123 9.204 9.044 -2.878 1.00 0.00 C ATOM 1920 C LEU B 123 10.433 8.563 -2.120 1.00 0.00 C ATOM 1921 O LEU B 123 11.085 9.318 -1.427 1.00 0.00 O ATOM 1922 CB LEU B 123 9.628 9.663 -4.209 1.00 0.00 C ATOM 1923 CG LEU B 123 8.464 9.646 -5.200 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.915 10.312 -6.500 1.00 0.00 C ATOM 1925 CD2 LEU B 123 8.040 8.195 -5.478 1.00 0.00 C ATOM 0 H LEU B 123 9.093 10.669 -1.505 1.00 0.00 H new ATOM 0 HA LEU B 123 8.540 8.204 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.964 10.688 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.473 9.111 -4.621 1.00 0.00 H new ATOM 0 HG LEU B 123 7.615 10.187 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU B 123 8.093 10.306 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.213 11.341 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.761 9.764 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU B 123 7.210 8.187 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.881 7.645 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.728 7.722 -4.547 1.00 0.00 H new ATOM 1937 N ALA B 124 10.750 7.305 -2.231 1.00 0.00 N ATOM 1938 CA ALA B 124 11.925 6.774 -1.497 1.00 0.00 C ATOM 1939 C ALA B 124 13.218 7.184 -2.185 1.00 0.00 C ATOM 1940 O ALA B 124 13.270 7.387 -3.381 1.00 0.00 O ATOM 1941 CB ALA B 124 11.865 5.248 -1.464 1.00 0.00 C ATOM 0 H ALA B 124 10.246 6.624 -2.798 1.00 0.00 H new ATOM 0 HA ALA B 124 11.904 7.180 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.729 4.861 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.952 4.931 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.871 4.862 -2.483 1.00 0.00 H new ATOM 1947 N TYR B 125 14.275 7.280 -1.428 1.00 0.00 N ATOM 1948 CA TYR B 125 15.584 7.645 -2.015 1.00 0.00 C ATOM 1949 C TYR B 125 16.683 7.078 -1.138 1.00 0.00 C ATOM 1950 O TYR B 125 16.587 7.099 0.066 1.00 0.00 O ATOM 1951 CB TYR B 125 15.721 9.159 -2.070 1.00 0.00 C ATOM 1952 CG TYR B 125 14.895 9.686 -3.200 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.392 9.659 -4.505 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.628 10.202 -2.944 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.606 10.150 -5.557 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.851 10.689 -3.983 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.333 10.667 -5.294 1.00 0.00 C ATOM 1958 OH TYR B 125 12.556 11.154 -6.326 1.00 0.00 O ATOM 0 H TYR B 125 14.283 7.119 -0.421 1.00 0.00 H new ATOM 0 HA TYR B 125 15.659 7.242 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.395 9.600 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.766 9.437 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.377 9.262 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.249 10.223 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.983 10.129 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.868 11.087 -3.778 1.00 0.00 H new ATOM 0 HH TYR B 125 11.609 11.027 -6.110 1.00 0.00 H new ATOM 1968 N CYS B 126 17.729 6.571 -1.712 1.00 0.00 N ATOM 1969 CA CYS B 126 18.807 6.024 -0.854 1.00 0.00 C ATOM 1970 C CYS B 126 19.293 7.136 0.079 1.00 0.00 C ATOM 1971 O CYS B 126 18.856 8.267 -0.003 1.00 0.00 O ATOM 1972 CB CYS B 126 19.990 5.566 -1.708 1.00 0.00 C ATOM 1973 SG CYS B 126 19.525 4.122 -2.681 1.00 0.00 S ATOM 0 H CYS B 126 17.885 6.511 -2.718 1.00 0.00 H new ATOM 0 HA CYS B 126 18.419 5.175 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.306 6.373 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.839 5.326 -1.069 1.00 0.00 H new ATOM 0 HG CYS B 126 19.790 4.340 -3.935 1.00 0.00 H new ATOM 1978 N GLU B 127 20.210 6.830 0.949 1.00 0.00 N ATOM 1979 CA GLU B 127 20.749 7.871 1.873 1.00 0.00 C ATOM 1980 C GLU B 127 21.459 8.955 1.058 1.00 0.00 C ATOM 1981 O GLU B 127 21.439 10.122 1.399 1.00 0.00 O ATOM 1982 CB GLU B 127 21.773 7.239 2.816 1.00 0.00 C ATOM 1983 CG GLU B 127 22.166 8.244 3.905 1.00 0.00 C ATOM 1984 CD GLU B 127 22.866 7.510 5.051 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.376 6.429 4.813 1.00 0.00 O ATOM 1986 OE2 GLU B 127 22.878 8.043 6.148 1.00 0.00 O ATOM 0 H GLU B 127 20.614 5.900 1.063 1.00 0.00 H new ATOM 0 HA GLU B 127 19.925 8.300 2.443 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.356 6.341 3.271 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.656 6.932 2.256 1.00 0.00 H new ATOM 0 HG2 GLU B 127 22.826 9.006 3.490 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.280 8.758 4.276 1.00 0.00 H new ATOM 1993 N THR B 128 22.115 8.564 0.000 1.00 0.00 N ATOM 1994 CA THR B 128 22.867 9.545 -0.833 1.00 0.00 C ATOM 1995 C THR B 128 21.969 10.185 -1.886 1.00 0.00 C ATOM 1996 O THR B 128 22.021 11.377 -2.102 1.00 0.00 O ATOM 1997 CB THR B 128 24.031 8.834 -1.527 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.946 8.365 -0.547 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.742 9.808 -2.467 1.00 0.00 C ATOM 0 H THR B 128 22.163 7.599 -0.326 1.00 0.00 H new ATOM 0 HA THR B 128 23.240 10.332 -0.178 1.00 0.00 H new ATOM 0 HB THR B 128 23.650 7.991 -2.104 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.692 7.908 -0.988 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.570 9.299 -2.960 1.00 0.00 H new ATOM 0 HG22 THR B 128 24.039 10.168 -3.218 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.124 10.653 -1.894 1.00 0.00 H new ATOM 2007 N HIS B 129 21.151 9.424 -2.551 1.00 0.00 N ATOM 2008 CA HIS B 129 20.287 10.031 -3.583 1.00 0.00 C ATOM 2009 C HIS B 129 19.299 10.946 -2.890 1.00 0.00 C ATOM 2010 O HIS B 129 19.081 12.066 -3.303 1.00 0.00 O ATOM 2011 CB HIS B 129 19.568 8.933 -4.365 1.00 0.00 C ATOM 2012 CG HIS B 129 20.606 8.092 -5.072 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.539 6.699 -5.176 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.768 8.451 -5.715 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.629 6.294 -5.856 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.408 7.318 -6.206 1.00 0.00 N ATOM 0 H HIS B 129 21.047 8.417 -2.423 1.00 0.00 H new ATOM 0 HA HIS B 129 20.879 10.609 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.974 8.315 -3.692 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.879 9.371 -5.087 1.00 0.00 H new ATOM 0 HD2 HIS B 129 22.130 9.463 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.846 5.262 -6.090 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.286 7.279 -6.724 1.00 0.00 H new ATOM 2024 N TYR B 130 18.732 10.507 -1.809 1.00 0.00 N ATOM 2025 CA TYR B 130 17.803 11.375 -1.078 1.00 0.00 C ATOM 2026 C TYR B 130 18.509 12.687 -0.844 1.00 0.00 C ATOM 2027 O TYR B 130 18.048 13.749 -1.214 1.00 0.00 O ATOM 2028 CB TYR B 130 17.513 10.743 0.273 1.00 0.00 C ATOM 2029 CG TYR B 130 16.790 11.731 1.153 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.832 12.585 0.599 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.080 11.796 2.520 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.168 13.499 1.410 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.411 12.713 3.334 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.451 13.566 2.778 1.00 0.00 C ATOM 2035 OH TYR B 130 14.788 14.473 3.578 1.00 0.00 O ATOM 0 H TYR B 130 18.877 9.582 -1.405 1.00 0.00 H new ATOM 0 HA TYR B 130 16.876 11.515 -1.634 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.907 9.846 0.143 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.444 10.433 0.747 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.608 12.535 -0.456 1.00 0.00 H new ATOM 0 HD2 TYR B 130 17.822 11.137 2.946 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.430 14.161 0.981 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.634 12.764 4.390 1.00 0.00 H new ATOM 0 HH TYR B 130 15.435 15.089 3.980 1.00 0.00 H new ATOM 2045 N ASN B 131 19.636 12.599 -0.219 1.00 0.00 N ATOM 2046 CA ASN B 131 20.412 13.817 0.062 1.00 0.00 C ATOM 2047 C ASN B 131 20.856 14.440 -1.255 1.00 0.00 C ATOM 2048 O ASN B 131 20.735 15.634 -1.454 1.00 0.00 O ATOM 2049 CB ASN B 131 21.631 13.476 0.917 1.00 0.00 C ATOM 2050 CG ASN B 131 21.202 13.288 2.373 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.095 14.246 3.116 1.00 0.00 O ATOM 2052 ND2 ASN B 131 20.949 12.088 2.816 1.00 0.00 N ATOM 0 H ASN B 131 20.055 11.729 0.111 1.00 0.00 H new ATOM 0 HA ASN B 131 19.791 14.526 0.610 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.104 12.567 0.547 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.372 14.272 0.846 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.661 11.952 3.785 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.039 11.285 2.193 1.00 0.00 H new ATOM 2059 N GLN B 132 21.344 13.651 -2.173 1.00 0.00 N ATOM 2060 CA GLN B 132 21.756 14.241 -3.478 1.00 0.00 C ATOM 2061 C GLN B 132 20.552 14.999 -4.015 1.00 0.00 C ATOM 2062 O GLN B 132 20.666 16.035 -4.640 1.00 0.00 O ATOM 2063 CB GLN B 132 22.154 13.140 -4.471 1.00 0.00 C ATOM 2064 CG GLN B 132 23.019 13.742 -5.581 1.00 0.00 C ATOM 2065 CD GLN B 132 24.428 14.005 -5.049 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.660 13.953 -3.856 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.388 14.284 -5.887 1.00 0.00 N ATOM 0 H GLN B 132 21.474 12.644 -2.080 1.00 0.00 H new ATOM 0 HA GLN B 132 22.617 14.896 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.702 12.351 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.262 12.681 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN B 132 23.062 13.062 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.575 14.671 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN B 132 25.195 14.328 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.332 14.458 -5.542 1.00 0.00 H new ATOM 2076 N LEU B 133 19.393 14.478 -3.742 1.00 0.00 N ATOM 2077 CA LEU B 133 18.140 15.135 -4.188 1.00 0.00 C ATOM 2078 C LEU B 133 17.817 16.298 -3.252 1.00 0.00 C ATOM 2079 O LEU B 133 17.292 17.316 -3.667 1.00 0.00 O ATOM 2080 CB LEU B 133 16.992 14.114 -4.136 1.00 0.00 C ATOM 2081 CG LEU B 133 16.837 13.405 -5.492 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.676 12.129 -5.531 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.370 13.038 -5.696 1.00 0.00 C ATOM 0 H LEU B 133 19.260 13.611 -3.221 1.00 0.00 H new ATOM 0 HA LEU B 133 18.262 15.506 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.187 13.379 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.061 14.618 -3.874 1.00 0.00 H new ATOM 0 HG LEU B 133 17.177 14.076 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.553 11.642 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.726 12.379 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.348 11.454 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.251 12.535 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU B 133 15.046 12.373 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.763 13.943 -5.684 1.00 0.00 H new ATOM 2095 N PHE B 134 18.112 16.155 -1.993 1.00 0.00 N ATOM 2096 CA PHE B 134 17.808 17.247 -1.025 1.00 0.00 C ATOM 2097 C PHE B 134 18.682 17.103 0.221 1.00 0.00 C ATOM 2098 O PHE B 134 19.695 17.757 0.364 1.00 0.00 O ATOM 2099 CB PHE B 134 16.332 17.156 -0.619 1.00 0.00 C ATOM 2100 CG PHE B 134 15.486 17.919 -1.610 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.312 19.301 -1.470 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.885 17.240 -2.673 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.529 20.004 -2.394 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.103 17.943 -3.601 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.926 19.325 -3.458 1.00 0.00 C ATOM 0 H PHE B 134 18.552 15.328 -1.589 1.00 0.00 H new ATOM 0 HA PHE B 134 18.011 18.210 -1.493 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.018 16.113 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.194 17.564 0.382 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.781 19.825 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.023 16.174 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.391 21.070 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.638 17.420 -4.424 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.323 19.868 -4.171 1.00 0.00 H new ATOM 2115 N GLY B 135 18.285 16.255 1.122 1.00 0.00 N ATOM 2116 CA GLY B 135 19.075 16.061 2.373 1.00 0.00 C ATOM 2117 C GLY B 135 18.626 17.075 3.424 1.00 0.00 C ATOM 2118 O GLY B 135 19.399 17.515 4.250 1.00 0.00 O ATOM 0 H GLY B 135 17.444 15.683 1.049 1.00 0.00 H new ATOM 0 HA2 GLY B 135 18.937 15.047 2.749 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.138 16.183 2.166 1.00 0.00 H new ATOM 2122 N ASP B 136 17.377 17.453 3.397 1.00 0.00 N ATOM 2123 CA ASP B 136 16.875 18.440 4.392 1.00 0.00 C ATOM 2124 C ASP B 136 17.830 19.634 4.456 1.00 0.00 C ATOM 2125 O ASP B 136 18.271 20.031 5.517 1.00 0.00 O ATOM 2126 CB ASP B 136 16.792 17.780 5.770 1.00 0.00 C ATOM 2127 CG ASP B 136 15.607 16.810 5.801 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.074 16.523 4.741 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.254 16.375 6.884 1.00 0.00 O ATOM 0 H ASP B 136 16.683 17.120 2.728 1.00 0.00 H new ATOM 0 HA ASP B 136 15.885 18.783 4.093 1.00 0.00 H new ATOM 0 HB2 ASP B 136 17.718 17.247 5.986 1.00 0.00 H new ATOM 0 HB3 ASP B 136 16.674 18.540 6.542 1.00 0.00 H new ATOM 2134 N VAL B 137 18.152 20.208 3.330 1.00 0.00 N ATOM 2135 CA VAL B 137 19.079 21.376 3.328 1.00 0.00 C ATOM 2136 C VAL B 137 18.951 22.128 2.002 1.00 0.00 C ATOM 2137 O VAL B 137 19.376 21.918 2.021 1.00 0.00 O ATOM 2138 CB VAL B 137 20.518 20.885 3.498 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.918 20.043 2.286 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.456 22.089 3.613 1.00 0.00 C ATOM 0 H VAL B 137 17.814 19.920 2.412 1.00 0.00 H new ATOM 0 HA VAL B 137 18.823 22.044 4.150 1.00 0.00 H new ATOM 0 HB VAL B 137 20.590 20.278 4.401 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.943 19.694 2.408 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.250 19.186 2.202 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.846 20.649 1.383 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.482 21.741 3.734 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.383 22.695 2.710 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.172 22.690 4.477 1.00 0.00 H new