USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=31 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= -2.87! USER MOD Set 1.2: B 108 CYS SG : rot -65:sc= -1.27 USER MOD Set 1.3: B 126 CYS SG : rot 121:sc= -2.74! USER MOD Set 1.4: B 129 HIS : no HD1:sc= -1.62 K(o=-8.5,f=-10) USER MOD Set 2.1: B 79 CYS SG : rot -167:sc= -4.96! USER MOD Set 2.2: B 82 CYS SG : rot -109:sc= -0.484 USER MOD Set 2.3: B 99 HIS : no HE2:sc= -4.91 K(o=-9.9,f=-14!) USER MOD Set 2.4: B 102 HIS : no HD1:sc= 0.486 K(o=-9.9,f=-13) USER MOD Set 3.1: A 48 ASN : amide:sc= -26.6! C(o=-28!,f=-20!) USER MOD Set 3.2: A 52 GLN : amide:sc= -0.99 K(o=-28,f=-25) USER MOD Set 4.1: A 31 MET CE :methyl -158:sc= -1.2 (180deg=-3.27!) USER MOD Set 4.2: A 46 CYS SG : rot 19:sc= 0.685 USER MOD Set 5.1: A 10 GLN : amide:sc= -0.346 X(o=-0.26,f=-0.22) USER MOD Set 5.2: A 30 THR OG1 : rot 180:sc= 0.0827 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -176:sc= -0.322 (180deg=-0.48) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 11 THR OG1 : rot -125:sc= 1.16! 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 160:sc= -2.63 USER MOD Single : A 19 THR OG1 : rot -149:sc= -4.91! USER MOD Single : A 24 ASN : amide:sc= -1.97 K(o=-2,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0108 (180deg=-0.168) USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -16.7! (180deg=-18.5!) USER MOD Single : A 39 ASN : amide:sc= -0.074 K(o=-0.074,f=-2.1!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0122 K(o=-0.012,f=-2.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -172:sc= -5.44! USER MOD Single : A 71 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-1.7!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.41) USER MOD Single : B 94 MET CE :methyl -160:sc= -1.22 (180deg=-3.24!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Single : B 97 GLN : amide:sc= -7.09! K(o=-7.1!,f=-1.7) USER MOD Single : B 107 LYS NZ :NH3+ -152:sc= -1.12 (180deg=-2.66!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.177 (180deg=-0.98) USER MOD Single : B 115 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.65) USER MOD Single : B 117 HIS : no HD1:sc= -0.407 K(o=-0.41,f=-0.98) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.736 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.221) 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 -93:sc= 0.752 USER MOD Single : B 131 ASN : amide:sc= -0.601 K(o=-0.6,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.724 K(o=-0.72,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -13.228 -11.250 -27.455 1.00 0.00 N ATOM 2 CA GLN A 1 -12.090 -10.908 -28.357 1.00 0.00 C ATOM 3 C GLN A 1 -11.041 -10.116 -27.575 1.00 0.00 C ATOM 4 O GLN A 1 -10.082 -9.621 -28.133 1.00 0.00 O ATOM 5 CB GLN A 1 -12.600 -10.064 -29.525 1.00 0.00 C ATOM 6 CG GLN A 1 -13.688 -10.833 -30.276 1.00 0.00 C ATOM 7 CD GLN A 1 -13.982 -10.136 -31.606 1.00 0.00 C ATOM 8 OE1 GLN A 1 -13.631 -10.634 -32.657 1.00 0.00 O ATOM 9 NE2 GLN A 1 -14.617 -8.995 -31.605 1.00 0.00 N ATOM 0 H1 GLN A 1 -13.910 -11.846 -27.967 1.00 0.00 H new ATOM 0 H2 GLN A 1 -12.871 -11.766 -26.626 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.698 -10.376 -27.143 1.00 0.00 H new ATOM 0 HA GLN A 1 -11.642 -11.825 -28.741 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.997 -9.118 -29.157 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.778 -9.824 -30.200 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -13.365 -11.859 -30.455 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.594 -10.884 -29.672 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.912 -8.576 -30.723 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.818 -8.522 -32.486 1.00 0.00 H new ATOM 20 N GLY A 2 -11.213 -9.993 -26.286 1.00 0.00 N ATOM 21 CA GLY A 2 -10.224 -9.234 -25.472 1.00 0.00 C ATOM 22 C GLY A 2 -10.490 -9.478 -23.987 1.00 0.00 C ATOM 23 O GLY A 2 -11.011 -8.628 -23.292 1.00 0.00 O ATOM 0 H GLY A 2 -11.996 -10.386 -25.763 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.211 -9.546 -25.727 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.295 -8.169 -25.695 1.00 0.00 H new ATOM 27 N SER A 3 -10.135 -10.632 -23.493 1.00 0.00 N ATOM 28 CA SER A 3 -10.368 -10.928 -22.053 1.00 0.00 C ATOM 29 C SER A 3 -9.492 -12.105 -21.624 1.00 0.00 C ATOM 30 O SER A 3 -9.883 -12.917 -20.806 1.00 0.00 O ATOM 31 CB SER A 3 -11.839 -11.282 -21.836 1.00 0.00 C ATOM 32 OG SER A 3 -12.150 -12.464 -22.560 1.00 0.00 O ATOM 0 H SER A 3 -9.694 -11.382 -24.025 1.00 0.00 H new ATOM 0 HA SER A 3 -10.114 -10.051 -21.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.036 -11.430 -20.774 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.475 -10.461 -22.167 1.00 0.00 H new ATOM 0 HG SER A 3 -13.092 -12.694 -22.421 1.00 0.00 H new ATOM 38 N ARG A 4 -8.311 -12.205 -22.163 1.00 0.00 N ATOM 39 CA ARG A 4 -7.409 -13.329 -21.781 1.00 0.00 C ATOM 40 C ARG A 4 -6.871 -13.082 -20.371 1.00 0.00 C ATOM 41 O ARG A 4 -6.688 -11.955 -19.953 1.00 0.00 O ATOM 42 CB ARG A 4 -6.241 -13.407 -22.768 1.00 0.00 C ATOM 43 CG ARG A 4 -5.330 -14.583 -22.395 1.00 0.00 C ATOM 44 CD ARG A 4 -4.216 -14.728 -23.434 1.00 0.00 C ATOM 45 NE ARG A 4 -4.789 -14.678 -24.822 1.00 0.00 N ATOM 46 CZ ARG A 4 -5.719 -15.511 -25.214 1.00 0.00 C ATOM 47 NH1 ARG A 4 -6.057 -16.524 -24.468 1.00 0.00 N ATOM 48 NH2 ARG A 4 -6.272 -15.356 -26.385 1.00 0.00 N ATOM 0 H ARG A 4 -7.929 -11.557 -22.852 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.962 -14.268 -21.804 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.617 -13.533 -23.783 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.675 -12.476 -22.751 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.899 -14.421 -21.407 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.912 -15.503 -22.342 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.484 -13.930 -23.306 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.690 -15.671 -23.284 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.444 -13.976 -25.476 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.596 -16.673 -23.571 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.783 -17.168 -24.781 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.979 -14.589 -26.990 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.997 -16.002 -26.696 1.00 0.00 H new ATOM 62 N VAL A 5 -6.616 -14.125 -19.628 1.00 0.00 N ATOM 63 CA VAL A 5 -6.090 -13.938 -18.248 1.00 0.00 C ATOM 64 C VAL A 5 -4.690 -13.322 -18.319 1.00 0.00 C ATOM 65 O VAL A 5 -3.700 -14.019 -18.427 1.00 0.00 O ATOM 66 CB VAL A 5 -6.021 -15.294 -17.542 1.00 0.00 C ATOM 67 CG1 VAL A 5 -5.619 -15.090 -16.080 1.00 0.00 C ATOM 68 CG2 VAL A 5 -7.392 -15.969 -17.603 1.00 0.00 C ATOM 0 H VAL A 5 -6.749 -15.094 -19.917 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.750 -13.274 -17.690 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.282 -15.924 -18.037 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.570 -16.056 -15.578 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.642 -14.608 -16.035 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.358 -14.460 -15.584 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.345 -16.935 -17.101 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.130 -15.338 -17.108 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.680 -16.115 -18.644 1.00 0.00 H new ATOM 78 N LEU A 6 -4.607 -12.017 -18.245 1.00 0.00 N ATOM 79 CA LEU A 6 -3.285 -11.319 -18.291 1.00 0.00 C ATOM 80 C LEU A 6 -3.131 -10.511 -17.009 1.00 0.00 C ATOM 81 O LEU A 6 -2.169 -10.645 -16.280 1.00 0.00 O ATOM 82 CB LEU A 6 -3.241 -10.372 -19.498 1.00 0.00 C ATOM 83 CG LEU A 6 -3.163 -11.182 -20.806 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.663 -10.323 -21.973 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.712 -11.605 -21.091 1.00 0.00 C ATOM 0 H LEU A 6 -5.411 -11.397 -18.153 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.479 -12.047 -18.383 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.128 -9.739 -19.506 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.378 -9.710 -19.419 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.784 -12.071 -20.699 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.607 -10.897 -22.898 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.696 -10.028 -21.791 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.041 -9.432 -22.061 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.675 -12.176 -22.019 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.086 -10.718 -21.186 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.345 -12.221 -20.270 1.00 0.00 H new ATOM 97 N HIS A 7 -4.094 -9.672 -16.729 1.00 0.00 N ATOM 98 CA HIS A 7 -4.043 -8.844 -15.496 1.00 0.00 C ATOM 99 C HIS A 7 -5.464 -8.663 -14.961 1.00 0.00 C ATOM 100 O HIS A 7 -6.044 -7.604 -15.062 1.00 0.00 O ATOM 101 CB HIS A 7 -3.444 -7.474 -15.823 1.00 0.00 C ATOM 102 CG HIS A 7 -2.075 -7.657 -16.421 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.981 -8.040 -15.661 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.608 -7.512 -17.704 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.080 -8.112 -16.486 1.00 0.00 C ATOM 106 NE2 HIS A 7 -0.247 -7.798 -17.743 1.00 0.00 N ATOM 0 H HIS A 7 -4.920 -9.527 -17.310 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.424 -9.337 -14.746 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.089 -6.940 -16.520 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.380 -6.868 -14.919 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.980 -8.232 -14.659 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.207 -7.220 -18.554 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.075 -8.390 -16.170 1.00 0.00 H new ATOM 114 N VAL A 8 -6.025 -9.687 -14.379 1.00 0.00 N ATOM 115 CA VAL A 8 -7.401 -9.558 -13.826 1.00 0.00 C ATOM 116 C VAL A 8 -7.307 -8.634 -12.619 1.00 0.00 C ATOM 117 O VAL A 8 -6.236 -8.474 -12.067 1.00 0.00 O ATOM 118 CB VAL A 8 -7.910 -10.938 -13.397 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.240 -10.785 -12.663 1.00 0.00 C ATOM 120 CG2 VAL A 8 -8.114 -11.815 -14.635 1.00 0.00 C ATOM 0 H VAL A 8 -5.592 -10.603 -14.263 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.092 -9.156 -14.567 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.179 -11.403 -12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.602 -11.767 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.099 -10.160 -11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.970 -10.319 -13.325 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.476 -12.797 -14.330 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.845 -11.348 -15.295 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.167 -11.926 -15.163 1.00 0.00 H new ATOM 130 N VAL A 9 -8.379 -7.995 -12.192 1.00 0.00 N ATOM 131 CA VAL A 9 -8.236 -7.074 -11.020 1.00 0.00 C ATOM 132 C VAL A 9 -9.490 -7.085 -10.143 1.00 0.00 C ATOM 133 O VAL A 9 -10.602 -6.944 -10.611 1.00 0.00 O ATOM 134 CB VAL A 9 -7.962 -5.639 -11.521 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.870 -5.658 -12.594 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.237 -5.050 -12.128 1.00 0.00 C ATOM 0 H VAL A 9 -9.315 -8.069 -12.591 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.399 -7.422 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.637 -5.031 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.684 -4.642 -12.941 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.954 -6.072 -12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.194 -6.274 -13.432 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.038 -4.038 -12.480 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.561 -5.668 -12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.022 -5.024 -11.372 1.00 0.00 H new ATOM 146 N GLN A 10 -9.294 -7.230 -8.860 1.00 0.00 N ATOM 147 CA GLN A 10 -10.431 -7.230 -7.897 1.00 0.00 C ATOM 148 C GLN A 10 -10.537 -5.849 -7.245 1.00 0.00 C ATOM 149 O GLN A 10 -9.570 -5.311 -6.743 1.00 0.00 O ATOM 150 CB GLN A 10 -10.188 -8.286 -6.817 1.00 0.00 C ATOM 151 CG GLN A 10 -10.189 -9.680 -7.447 1.00 0.00 C ATOM 152 CD GLN A 10 -11.562 -9.960 -8.059 1.00 0.00 C ATOM 153 OE1 GLN A 10 -12.571 -9.865 -7.389 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.646 -10.307 -9.315 1.00 0.00 N ATOM 0 H GLN A 10 -8.376 -7.351 -8.432 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.357 -7.460 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.234 -8.101 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.962 -8.222 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.417 -9.745 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.954 -10.432 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.800 -10.387 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.557 -10.498 -9.732 1.00 0.00 H new ATOM 163 N THR A 11 -11.705 -5.275 -7.253 1.00 0.00 N ATOM 164 CA THR A 11 -11.895 -3.928 -6.643 1.00 0.00 C ATOM 165 C THR A 11 -11.623 -3.976 -5.153 1.00 0.00 C ATOM 166 O THR A 11 -11.760 -4.990 -4.496 1.00 0.00 O ATOM 167 CB THR A 11 -13.328 -3.482 -6.862 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.635 -3.559 -8.244 1.00 0.00 O ATOM 169 CG2 THR A 11 -13.534 -2.045 -6.358 1.00 0.00 C ATOM 0 H THR A 11 -12.546 -5.684 -7.660 1.00 0.00 H new ATOM 0 HA THR A 11 -11.201 -3.230 -7.111 1.00 0.00 H new ATOM 0 HB THR A 11 -13.993 -4.138 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.958 -2.688 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.569 -1.746 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.310 -1.998 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.870 -1.371 -6.899 1.00 0.00 H new ATOM 177 N LEU A 12 -11.251 -2.856 -4.628 1.00 5.40 N ATOM 178 CA LEU A 12 -10.962 -2.723 -3.170 1.00 9.02 C ATOM 179 C LEU A 12 -12.015 -1.785 -2.584 1.00 10.54 C ATOM 180 O LEU A 12 -12.214 -1.731 -1.386 1.00 10.21 O ATOM 181 CB LEU A 12 -9.562 -2.089 -2.962 1.00 7.97 C ATOM 182 CG LEU A 12 -8.352 -2.982 -3.431 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.063 -2.159 -3.393 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.119 -4.233 -2.563 1.00 6.66 C ATOM 0 H LEU A 12 -11.129 -1.994 -5.159 1.00 5.40 H new ATOM 0 HA LEU A 12 -10.982 -3.701 -2.689 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -9.525 -1.142 -3.500 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -9.437 -1.860 -1.904 1.00 7.97 H new ATOM 0 HG LEU A 12 -8.608 -3.314 -4.437 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.226 -2.778 -3.718 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.159 -1.301 -4.058 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -6.883 -1.811 -2.376 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.269 -4.793 -2.953 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -7.914 -3.930 -1.536 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.009 -4.862 -2.585 1.00 6.66 H new ATOM 196 N TYR A 13 -12.693 -1.033 -3.420 1.00 12.19 N ATOM 197 CA TYR A 13 -13.734 -0.089 -2.888 1.00 12.32 C ATOM 198 C TYR A 13 -14.875 0.105 -3.919 1.00 14.17 C ATOM 199 O TYR A 13 -14.607 0.135 -5.106 1.00 14.79 O ATOM 200 CB TYR A 13 -13.079 1.267 -2.611 1.00 14.83 C ATOM 201 CG TYR A 13 -11.744 1.056 -1.933 1.00 15.75 C ATOM 202 CD1 TYR A 13 -11.692 0.755 -0.567 1.00 18.39 C ATOM 203 CD2 TYR A 13 -10.558 1.165 -2.671 1.00 10.85 C ATOM 204 CE1 TYR A 13 -10.456 0.563 0.061 1.00 12.56 C ATOM 205 CE2 TYR A 13 -9.322 0.971 -2.044 1.00 10.94 C ATOM 206 CZ TYR A 13 -9.272 0.672 -0.677 1.00 12.35 C ATOM 207 OH TYR A 13 -8.052 0.481 -0.057 1.00 12.20 O ATOM 0 H TYR A 13 -12.575 -1.030 -4.433 1.00 12.19 H new ATOM 0 HA TYR A 13 -14.154 -0.507 -1.973 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -12.942 1.814 -3.544 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -13.728 1.873 -1.979 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -12.606 0.671 0.002 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -10.598 1.399 -3.725 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -10.416 0.331 1.115 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -8.408 1.052 -2.614 1.00 10.94 H new ATOM 0 HH TYR A 13 -7.331 0.591 -0.712 1.00 12.20 H new ATOM 217 N PRO A 14 -16.117 0.267 -3.459 1.00 0.00 N ATOM 218 CA PRO A 14 -17.259 0.496 -4.378 1.00 0.00 C ATOM 219 C PRO A 14 -17.174 1.924 -4.940 1.00 0.00 C ATOM 220 O PRO A 14 -17.819 2.830 -4.453 1.00 0.00 O ATOM 221 CB PRO A 14 -18.510 0.340 -3.487 1.00 0.00 C ATOM 222 CG PRO A 14 -18.029 0.451 -2.014 1.00 0.00 C ATOM 223 CD PRO A 14 -16.498 0.234 -2.021 1.00 0.00 C ATOM 0 HA PRO A 14 -17.274 -0.190 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.244 1.113 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.994 -0.621 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.278 1.428 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.521 -0.295 -1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.985 1.014 -1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.231 -0.718 -1.563 1.00 0.00 H new ATOM 231 N PHE A 15 -16.373 2.136 -5.943 1.00 0.00 N ATOM 232 CA PHE A 15 -16.239 3.512 -6.509 1.00 0.00 C ATOM 233 C PHE A 15 -17.496 3.908 -7.278 1.00 0.00 C ATOM 234 O PHE A 15 -18.368 3.102 -7.535 1.00 0.00 O ATOM 235 CB PHE A 15 -15.050 3.565 -7.463 1.00 0.00 C ATOM 236 CG PHE A 15 -14.745 5.003 -7.857 1.00 0.00 C ATOM 237 CD1 PHE A 15 -14.465 5.974 -6.878 1.00 0.00 C ATOM 238 CD2 PHE A 15 -14.736 5.368 -9.214 1.00 0.00 C ATOM 239 CE1 PHE A 15 -14.181 7.291 -7.256 1.00 0.00 C ATOM 240 CE2 PHE A 15 -14.450 6.688 -9.585 1.00 0.00 C ATOM 241 CZ PHE A 15 -14.174 7.648 -8.609 1.00 0.00 C ATOM 0 H PHE A 15 -15.805 1.421 -6.397 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.091 4.204 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.176 3.119 -6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.265 2.976 -8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -14.469 5.702 -5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -14.950 4.629 -9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.967 8.034 -6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.443 6.964 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.955 8.665 -8.898 1.00 0.00 H new ATOM 251 N SER A 16 -17.579 5.159 -7.653 1.00 0.00 N ATOM 252 CA SER A 16 -18.764 5.648 -8.421 1.00 0.00 C ATOM 253 C SER A 16 -18.295 6.572 -9.542 1.00 0.00 C ATOM 254 O SER A 16 -17.815 7.663 -9.313 1.00 0.00 O ATOM 255 CB SER A 16 -19.704 6.412 -7.485 1.00 0.00 C ATOM 256 OG SER A 16 -20.307 5.497 -6.577 1.00 0.00 O ATOM 0 H SER A 16 -16.872 5.868 -7.459 1.00 0.00 H new ATOM 0 HA SER A 16 -19.296 4.798 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.150 7.174 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.471 6.928 -8.063 1.00 0.00 H new ATOM 0 HG SER A 16 -20.909 5.982 -5.975 1.00 0.00 H new ATOM 262 N SER A 17 -18.435 6.122 -10.758 1.00 0.00 N ATOM 263 CA SER A 17 -18.011 6.931 -11.935 1.00 0.00 C ATOM 264 C SER A 17 -19.125 6.874 -12.980 1.00 0.00 C ATOM 265 O SER A 17 -19.380 5.840 -13.563 1.00 0.00 O ATOM 266 CB SER A 17 -16.704 6.339 -12.480 1.00 0.00 C ATOM 267 OG SER A 17 -15.880 7.387 -12.959 1.00 0.00 O ATOM 0 H SER A 17 -18.832 5.212 -10.989 1.00 0.00 H new ATOM 0 HA SER A 17 -17.836 7.973 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.188 5.784 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.918 5.633 -13.283 1.00 0.00 H new ATOM 0 HG SER A 17 -14.951 7.078 -13.006 1.00 0.00 H new ATOM 273 N VAL A 18 -19.790 7.979 -13.225 1.00 0.00 N ATOM 274 CA VAL A 18 -20.888 7.990 -14.223 1.00 0.00 C ATOM 275 C VAL A 18 -20.684 9.153 -15.178 1.00 0.00 C ATOM 276 O VAL A 18 -21.111 10.270 -14.960 1.00 0.00 O ATOM 277 CB VAL A 18 -22.230 8.150 -13.490 1.00 0.00 C ATOM 278 CG1 VAL A 18 -22.442 6.973 -12.534 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.221 9.455 -12.687 1.00 0.00 C ATOM 0 H VAL A 18 -19.612 8.874 -12.770 1.00 0.00 H new ATOM 0 HA VAL A 18 -20.890 7.057 -14.786 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.037 8.173 -14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -23.394 7.091 -12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.449 6.041 -13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -21.633 6.947 -11.804 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.172 9.569 -12.167 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.410 9.429 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.074 10.297 -13.363 1.00 0.00 H new ATOM 289 N THR A 19 -20.056 8.850 -16.256 1.00 38.32 N ATOM 290 CA THR A 19 -19.799 9.850 -17.333 1.00 37.06 C ATOM 291 C THR A 19 -19.896 9.123 -18.665 1.00 36.60 C ATOM 292 O THR A 19 -20.567 8.118 -18.799 1.00 36.42 O ATOM 293 CB THR A 19 -18.391 10.469 -17.188 1.00 37.05 C ATOM 294 OG1 THR A 19 -17.934 10.288 -15.858 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.439 11.971 -17.503 1.00 37.86 C ATOM 0 H THR A 19 -19.691 7.919 -16.455 1.00 38.32 H new ATOM 0 HA THR A 19 -20.528 10.657 -17.268 1.00 37.06 H new ATOM 0 HB THR A 19 -17.713 9.978 -17.886 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.348 11.033 -15.609 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.441 12.397 -17.398 1.00 37.86 H new ATOM 0 HG22 THR A 19 -18.790 12.118 -18.524 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.120 12.466 -16.811 1.00 37.86 H new ATOM 303 N GLU A 20 -19.199 9.607 -19.634 1.00 36.33 N ATOM 304 CA GLU A 20 -19.183 8.979 -20.931 1.00 36.39 C ATOM 305 C GLU A 20 -18.163 7.830 -20.857 1.00 30.94 C ATOM 306 O GLU A 20 -18.461 6.700 -21.190 1.00 31.73 O ATOM 307 CB GLU A 20 -18.810 10.091 -21.916 1.00 41.00 C ATOM 308 CG GLU A 20 -19.936 11.057 -22.003 1.00 49.07 C ATOM 309 CD GLU A 20 -19.842 12.086 -20.876 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.965 11.942 -20.040 1.00 55.13 O ATOM 311 OE2 GLU A 20 -20.649 13.001 -20.869 1.00 54.38 O ATOM 0 H GLU A 20 -18.623 10.445 -19.561 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.128 8.541 -21.253 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -17.903 10.598 -21.586 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.599 9.669 -22.899 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -19.916 11.563 -22.968 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.886 10.525 -21.941 1.00 49.07 H new ATOM 318 N GLU A 21 -16.953 8.126 -20.461 1.00 0.00 N ATOM 319 CA GLU A 21 -15.889 7.112 -20.393 1.00 0.00 C ATOM 320 C GLU A 21 -15.540 6.780 -18.924 1.00 0.00 C ATOM 321 O GLU A 21 -14.419 6.425 -18.619 1.00 0.00 O ATOM 322 CB GLU A 21 -14.692 7.748 -21.104 1.00 0.00 C ATOM 323 CG GLU A 21 -15.038 7.957 -22.569 1.00 0.00 C ATOM 324 CD GLU A 21 -15.280 6.607 -23.251 1.00 0.00 C ATOM 325 OE1 GLU A 21 -14.420 5.750 -23.145 1.00 0.00 O ATOM 326 OE2 GLU A 21 -16.320 6.456 -23.872 1.00 0.00 O ATOM 0 H GLU A 21 -16.661 9.061 -20.176 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.189 6.173 -20.857 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.440 8.700 -20.637 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.816 7.106 -21.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.927 8.581 -22.655 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.227 8.486 -23.070 1.00 0.00 H new ATOM 333 N GLU A 22 -16.481 6.899 -18.019 1.00 0.00 N ATOM 334 CA GLU A 22 -16.187 6.601 -16.573 1.00 0.00 C ATOM 335 C GLU A 22 -16.707 5.191 -16.214 1.00 0.00 C ATOM 336 O GLU A 22 -17.644 4.698 -16.809 1.00 0.00 O ATOM 337 CB GLU A 22 -16.874 7.685 -15.711 1.00 0.00 C ATOM 338 CG GLU A 22 -15.858 8.764 -15.281 1.00 0.00 C ATOM 339 CD GLU A 22 -15.395 9.550 -16.507 1.00 0.00 C ATOM 340 OE1 GLU A 22 -15.711 9.132 -17.609 1.00 0.00 O ATOM 341 OE2 GLU A 22 -14.731 10.557 -16.327 1.00 0.00 O ATOM 0 H GLU A 22 -17.439 7.189 -18.214 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.113 6.616 -16.385 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.685 8.146 -16.275 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.320 7.226 -14.829 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.313 9.438 -14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.003 8.298 -14.791 1.00 0.00 H new ATOM 348 N LEU A 23 -16.071 4.533 -15.259 1.00 11.68 N ATOM 349 CA LEU A 23 -16.486 3.135 -14.867 1.00 7.71 C ATOM 350 C LEU A 23 -17.096 3.126 -13.456 1.00 8.71 C ATOM 351 O LEU A 23 -16.399 3.299 -12.476 1.00 10.83 O ATOM 352 CB LEU A 23 -15.224 2.234 -14.856 1.00 7.16 C ATOM 353 CG LEU A 23 -15.562 0.717 -14.890 1.00 8.46 C ATOM 354 CD1 LEU A 23 -16.837 0.390 -14.110 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.726 0.240 -16.327 1.00 2.00 C ATOM 0 H LEU A 23 -15.280 4.906 -14.733 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.227 2.772 -15.579 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.600 2.481 -15.715 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.637 2.450 -13.963 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.728 0.200 -14.415 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.031 -0.681 -14.163 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.712 0.685 -13.068 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.677 0.933 -14.542 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.962 -0.824 -16.332 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.535 0.794 -16.804 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.799 0.408 -16.874 1.00 2.00 H new ATOM 367 N ASN A 24 -18.374 2.876 -13.338 1.00 0.00 N ATOM 368 CA ASN A 24 -18.999 2.795 -11.977 1.00 0.00 C ATOM 369 C ASN A 24 -19.019 1.315 -11.600 1.00 0.00 C ATOM 370 O ASN A 24 -19.473 0.494 -12.369 1.00 0.00 O ATOM 371 CB ASN A 24 -20.438 3.334 -12.026 1.00 0.00 C ATOM 372 CG ASN A 24 -21.198 2.918 -10.763 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.371 2.610 -10.818 1.00 0.00 O ATOM 374 ND2 ASN A 24 -20.573 2.897 -9.615 1.00 0.00 N ATOM 0 H ASN A 24 -19.012 2.725 -14.119 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.441 3.387 -11.251 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.425 4.421 -12.111 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -20.948 2.951 -12.910 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.071 2.622 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -19.587 3.155 -9.566 1.00 0.00 H new ATOM 381 N PHE A 25 -18.514 0.939 -10.449 1.00 6.72 N ATOM 382 CA PHE A 25 -18.514 -0.510 -10.121 1.00 6.82 C ATOM 383 C PHE A 25 -18.541 -0.722 -8.618 1.00 7.56 C ATOM 384 O PHE A 25 -17.924 -0.004 -7.856 1.00 6.07 O ATOM 385 CB PHE A 25 -17.279 -1.185 -10.739 1.00 9.59 C ATOM 386 CG PHE A 25 -15.968 -0.527 -10.297 1.00 9.18 C ATOM 387 CD1 PHE A 25 -15.696 0.830 -10.562 1.00 5.54 C ATOM 388 CD2 PHE A 25 -14.993 -1.302 -9.655 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.472 1.390 -10.179 1.00 5.32 C ATOM 390 CE2 PHE A 25 -13.771 -0.739 -9.281 1.00 11.14 C ATOM 391 CZ PHE A 25 -13.510 0.606 -9.540 1.00 12.44 C ATOM 0 H PHE A 25 -18.114 1.558 -9.744 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.412 -0.963 -10.541 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.266 -2.238 -10.458 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.353 -1.146 -11.826 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.434 1.440 -11.062 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.188 -2.344 -9.448 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.271 2.432 -10.378 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.026 -1.347 -8.790 1.00 11.14 H new ATOM 0 HZ PHE A 25 -12.566 1.040 -9.247 1.00 12.44 H new ATOM 401 N GLU A 26 -19.262 -1.721 -8.191 1.00 0.00 N ATOM 402 CA GLU A 26 -19.351 -2.016 -6.741 1.00 0.00 C ATOM 403 C GLU A 26 -18.149 -2.866 -6.353 1.00 0.00 C ATOM 404 O GLU A 26 -17.562 -3.538 -7.178 1.00 0.00 O ATOM 405 CB GLU A 26 -20.662 -2.764 -6.439 1.00 0.00 C ATOM 406 CG GLU A 26 -20.583 -4.221 -6.921 1.00 0.00 C ATOM 407 CD GLU A 26 -20.089 -4.261 -8.368 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.601 -3.496 -9.170 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.208 -5.053 -8.651 1.00 0.00 O ATOM 0 H GLU A 26 -19.796 -2.348 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.349 -1.091 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.860 -2.741 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.495 -2.259 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.908 -4.790 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.564 -4.692 -6.849 1.00 0.00 H new ATOM 416 N LYS A 27 -17.770 -2.839 -5.119 1.00 8.66 N ATOM 417 CA LYS A 27 -16.604 -3.636 -4.700 1.00 8.68 C ATOM 418 C LYS A 27 -16.821 -5.100 -5.080 1.00 6.65 C ATOM 419 O LYS A 27 -17.933 -5.590 -5.093 1.00 10.38 O ATOM 420 CB LYS A 27 -16.427 -3.471 -3.193 1.00 12.96 C ATOM 421 CG LYS A 27 -17.512 -4.255 -2.419 1.00 12.48 C ATOM 422 CD LYS A 27 -16.964 -5.618 -1.953 1.00 20.52 C ATOM 423 CE LYS A 27 -16.195 -5.449 -0.637 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.163 -5.285 0.485 1.00 29.03 N ATOM 0 H LYS A 27 -18.219 -2.298 -4.380 1.00 8.66 H new ATOM 0 HA LYS A 27 -15.699 -3.294 -5.203 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -15.439 -3.824 -2.898 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -16.480 -2.414 -2.930 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -17.843 -3.675 -1.557 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.384 -4.405 -3.055 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -17.785 -6.322 -1.817 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.308 -6.036 -2.716 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -15.560 -6.317 -0.460 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -15.539 -4.581 -0.695 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -16.687 -5.491 1.387 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -17.519 -4.308 0.496 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -17.959 -5.942 0.356 1.00 29.03 H new ATOM 438 N GLY A 28 -15.768 -5.797 -5.411 1.00 5.06 N ATOM 439 CA GLY A 28 -15.911 -7.224 -5.817 1.00 4.39 C ATOM 440 C GLY A 28 -16.258 -7.297 -7.305 1.00 6.18 C ATOM 441 O GLY A 28 -17.127 -8.043 -7.709 1.00 5.61 O ATOM 0 H GLY A 28 -14.813 -5.439 -5.418 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -14.984 -7.764 -5.622 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.691 -7.705 -5.227 1.00 4.39 H new ATOM 445 N GLU A 29 -15.586 -6.519 -8.122 1.00 7.06 N ATOM 446 CA GLU A 29 -15.871 -6.523 -9.597 1.00 6.19 C ATOM 447 C GLU A 29 -14.609 -6.943 -10.356 1.00 6.67 C ATOM 448 O GLU A 29 -13.619 -6.240 -10.369 1.00 8.12 O ATOM 449 CB GLU A 29 -16.259 -5.097 -10.036 1.00 6.64 C ATOM 450 CG GLU A 29 -16.961 -5.052 -11.430 1.00 9.52 C ATOM 451 CD GLU A 29 -16.794 -6.365 -12.209 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.575 -7.273 -11.981 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.892 -6.433 -13.024 1.00 8.99 O ATOM 0 H GLU A 29 -14.848 -5.878 -7.830 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.682 -7.219 -9.811 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -16.922 -4.661 -9.288 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.363 -4.477 -10.067 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.023 -4.846 -11.293 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.549 -4.230 -12.015 1.00 9.52 H new ATOM 460 N THR A 30 -14.645 -8.063 -11.014 1.00 0.00 N ATOM 461 CA THR A 30 -13.459 -8.503 -11.799 1.00 0.00 C ATOM 462 C THR A 30 -13.379 -7.623 -13.030 1.00 0.00 C ATOM 463 O THR A 30 -14.191 -7.753 -13.923 1.00 0.00 O ATOM 464 CB THR A 30 -13.685 -9.942 -12.270 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.228 -10.710 -11.206 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.360 -10.547 -12.721 1.00 0.00 C ATOM 0 H THR A 30 -15.445 -8.696 -11.044 1.00 0.00 H new ATOM 0 HA THR A 30 -12.553 -8.438 -11.197 1.00 0.00 H new ATOM 0 HB THR A 30 -14.383 -9.945 -13.107 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.374 -11.631 -11.508 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.523 -11.571 -13.056 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.952 -9.958 -13.542 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.657 -10.545 -11.888 1.00 0.00 H new ATOM 474 N MET A 31 -12.427 -6.733 -13.111 1.00 0.00 N ATOM 475 CA MET A 31 -12.351 -5.869 -14.321 1.00 0.00 C ATOM 476 C MET A 31 -11.212 -6.306 -15.216 1.00 0.00 C ATOM 477 O MET A 31 -10.105 -6.579 -14.797 1.00 0.00 O ATOM 478 CB MET A 31 -12.241 -4.391 -13.919 1.00 0.00 C ATOM 479 CG MET A 31 -13.612 -3.907 -13.363 1.00 0.00 C ATOM 480 SD MET A 31 -13.400 -3.230 -11.696 1.00 0.00 S ATOM 481 CE MET A 31 -12.738 -1.622 -12.198 1.00 0.00 C ATOM 0 H MET A 31 -11.710 -6.569 -12.404 1.00 0.00 H new ATOM 0 HA MET A 31 -13.271 -5.980 -14.895 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.464 -4.264 -13.165 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.951 -3.788 -14.780 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.033 -3.148 -14.022 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.318 -4.737 -13.340 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.177 -1.185 -11.372 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.078 -1.752 -13.056 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.559 -0.959 -12.470 1.00 0.00 H new ATOM 491 N GLU A 32 -11.532 -6.394 -16.464 1.00 0.00 N ATOM 492 CA GLU A 32 -10.583 -6.830 -17.502 1.00 0.00 C ATOM 493 C GLU A 32 -9.889 -5.579 -18.042 1.00 0.00 C ATOM 494 O GLU A 32 -10.462 -4.803 -18.782 1.00 0.00 O ATOM 495 CB GLU A 32 -11.397 -7.562 -18.603 1.00 0.00 C ATOM 496 CG GLU A 32 -12.918 -7.350 -18.370 1.00 0.00 C ATOM 497 CD GLU A 32 -13.688 -7.843 -19.594 1.00 0.00 C ATOM 498 OE1 GLU A 32 -13.065 -8.016 -20.631 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.886 -8.044 -19.477 1.00 0.00 O ATOM 0 H GLU A 32 -12.460 -6.169 -16.822 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.823 -7.513 -17.122 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.115 -7.185 -19.586 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.164 -8.627 -18.591 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.241 -7.891 -17.481 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.127 -6.295 -18.195 1.00 0.00 H new ATOM 506 N VAL A 33 -8.674 -5.356 -17.632 1.00 0.00 N ATOM 507 CA VAL A 33 -7.955 -4.130 -18.067 1.00 0.00 C ATOM 508 C VAL A 33 -7.741 -4.113 -19.587 1.00 0.00 C ATOM 509 O VAL A 33 -6.753 -4.615 -20.085 1.00 0.00 O ATOM 510 CB VAL A 33 -6.594 -4.064 -17.361 1.00 0.00 C ATOM 511 CG1 VAL A 33 -6.077 -2.621 -17.378 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.751 -4.525 -15.910 1.00 0.00 C ATOM 0 H VAL A 33 -8.147 -5.972 -17.013 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.563 -3.266 -17.801 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.886 -4.712 -17.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.110 -2.575 -16.876 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.967 -2.286 -18.409 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.786 -1.975 -16.860 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.785 -4.479 -15.407 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.459 -3.875 -15.396 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.121 -5.550 -15.892 1.00 0.00 H new ATOM 522 N ILE A 34 -8.644 -3.518 -20.331 1.00 0.00 N ATOM 523 CA ILE A 34 -8.450 -3.465 -21.817 1.00 0.00 C ATOM 524 C ILE A 34 -7.142 -2.726 -22.157 1.00 0.00 C ATOM 525 O ILE A 34 -6.347 -3.196 -22.947 1.00 0.00 O ATOM 526 CB ILE A 34 -9.606 -2.708 -22.501 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.909 -3.516 -22.387 1.00 0.00 C ATOM 528 CG2 ILE A 34 -9.260 -2.495 -23.988 1.00 0.00 C ATOM 529 CD1 ILE A 34 -12.092 -2.705 -22.944 1.00 0.00 C ATOM 0 H ILE A 34 -9.493 -3.074 -19.982 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.417 -4.494 -22.176 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.745 -1.744 -22.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.812 -4.454 -22.935 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.095 -3.774 -21.344 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.074 -1.960 -24.478 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.342 -1.912 -24.068 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.119 -3.462 -24.471 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.008 -3.290 -22.857 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.197 -1.780 -22.378 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.910 -2.470 -23.993 1.00 0.00 H new ATOM 541 N GLU A 35 -6.933 -1.556 -21.603 1.00 0.00 N ATOM 542 CA GLU A 35 -5.701 -0.775 -21.940 1.00 0.00 C ATOM 543 C GLU A 35 -5.234 0.032 -20.748 1.00 0.00 C ATOM 544 O GLU A 35 -5.982 0.313 -19.831 1.00 0.00 O ATOM 545 CB GLU A 35 -6.008 0.174 -23.110 1.00 0.00 C ATOM 546 CG GLU A 35 -4.712 0.550 -23.838 1.00 0.00 C ATOM 547 CD GLU A 35 -4.257 -0.619 -24.715 1.00 0.00 C ATOM 548 OE1 GLU A 35 -5.071 -1.114 -25.476 1.00 0.00 O ATOM 549 OE2 GLU A 35 -3.102 -0.998 -24.609 1.00 0.00 O ATOM 0 H GLU A 35 -7.560 -1.109 -20.934 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.910 -1.471 -22.219 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.699 -0.304 -23.805 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.500 1.073 -22.739 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.872 1.437 -24.451 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.936 0.798 -23.114 1.00 0.00 H new ATOM 556 N LYS A 36 -3.972 0.383 -20.748 1.00 0.00 N ATOM 557 CA LYS A 36 -3.394 1.147 -19.610 1.00 0.00 C ATOM 558 C LYS A 36 -2.515 2.306 -20.122 1.00 0.00 C ATOM 559 O LYS A 36 -1.325 2.318 -19.881 1.00 0.00 O ATOM 560 CB LYS A 36 -2.524 0.169 -18.791 1.00 0.00 C ATOM 561 CG LYS A 36 -3.191 -1.228 -18.725 1.00 0.00 C ATOM 562 CD LYS A 36 -2.694 -2.132 -19.867 1.00 0.00 C ATOM 563 CE LYS A 36 -3.635 -3.338 -20.030 1.00 0.00 C ATOM 564 NZ LYS A 36 -5.033 -2.879 -20.267 1.00 0.00 N ATOM 0 H LYS A 36 -3.314 0.169 -21.498 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.193 1.571 -19.002 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.536 0.085 -19.244 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.381 0.558 -17.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.971 -1.695 -17.765 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.274 -1.121 -18.786 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.650 -1.566 -20.797 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.682 -2.476 -19.655 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.302 -3.957 -20.864 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.597 -3.961 -19.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.697 -3.537 -19.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.159 -1.928 -19.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.221 -2.851 -21.290 1.00 0.00 H new ATOM 578 N PRO A 37 -3.121 3.273 -20.778 1.00 0.00 N ATOM 579 CA PRO A 37 -2.389 4.447 -21.268 1.00 0.00 C ATOM 580 C PRO A 37 -2.071 5.360 -20.093 1.00 0.00 C ATOM 581 O PRO A 37 -2.631 5.240 -19.022 1.00 0.00 O ATOM 582 CB PRO A 37 -3.351 5.150 -22.240 1.00 0.00 C ATOM 583 CG PRO A 37 -4.748 4.537 -21.994 1.00 0.00 C ATOM 584 CD PRO A 37 -4.559 3.279 -21.109 1.00 0.00 C ATOM 0 HA PRO A 37 -1.450 4.183 -21.754 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.363 6.226 -22.064 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.038 4.999 -23.273 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.401 5.257 -21.501 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.222 4.272 -22.939 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.173 3.330 -20.210 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.848 2.372 -21.641 1.00 0.00 H new ATOM 592 N GLU A 38 -1.189 6.282 -20.298 1.00 0.00 N ATOM 593 CA GLU A 38 -0.835 7.233 -19.203 1.00 0.00 C ATOM 594 C GLU A 38 -1.734 8.463 -19.331 1.00 0.00 C ATOM 595 O GLU A 38 -2.311 8.914 -18.367 1.00 0.00 O ATOM 596 CB GLU A 38 0.637 7.646 -19.343 1.00 0.00 C ATOM 597 CG GLU A 38 1.095 8.412 -18.092 1.00 0.00 C ATOM 598 CD GLU A 38 0.608 9.864 -18.147 1.00 0.00 C ATOM 599 OE1 GLU A 38 0.147 10.280 -19.197 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.710 10.534 -17.134 1.00 0.00 O ATOM 0 H GLU A 38 -0.691 6.426 -21.176 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.978 6.765 -18.229 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.258 6.762 -19.485 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.765 8.270 -20.227 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.707 7.925 -17.197 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.182 8.389 -18.021 1.00 0.00 H new ATOM 607 N ASN A 39 -1.859 8.976 -20.534 1.00 0.00 N ATOM 608 CA ASN A 39 -2.720 10.167 -20.808 1.00 0.00 C ATOM 609 C ASN A 39 -2.269 11.349 -19.949 1.00 0.00 C ATOM 610 O ASN A 39 -1.870 12.381 -20.451 1.00 0.00 O ATOM 611 CB ASN A 39 -4.189 9.828 -20.508 1.00 0.00 C ATOM 612 CG ASN A 39 -4.787 9.035 -21.674 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.121 8.781 -22.657 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.026 8.632 -21.604 1.00 0.00 N ATOM 0 H ASN A 39 -1.385 8.606 -21.358 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.625 10.440 -21.859 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.257 9.247 -19.588 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.758 10.744 -20.349 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.435 8.104 -22.375 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.586 8.845 -20.778 1.00 0.00 H new ATOM 621 N ASP A 40 -2.299 11.174 -18.663 1.00 0.00 N ATOM 622 CA ASP A 40 -1.858 12.245 -17.718 1.00 0.00 C ATOM 623 C ASP A 40 -2.300 11.969 -16.256 1.00 0.00 C ATOM 624 O ASP A 40 -1.501 12.092 -15.349 1.00 0.00 O ATOM 625 CB ASP A 40 -2.305 13.669 -18.186 1.00 0.00 C ATOM 626 CG ASP A 40 -1.109 14.444 -18.758 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.257 13.817 -19.366 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.068 15.651 -18.578 1.00 0.00 O ATOM 0 H ASP A 40 -2.617 10.317 -18.211 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.768 12.225 -17.731 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.085 13.582 -18.942 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.734 14.217 -17.347 1.00 0.00 H new ATOM 633 N PRO A 41 -3.538 11.623 -16.070 1.00 0.00 N ATOM 634 CA PRO A 41 -4.091 11.345 -14.733 1.00 0.00 C ATOM 635 C PRO A 41 -3.478 10.057 -14.170 1.00 0.00 C ATOM 636 O PRO A 41 -2.856 10.083 -13.131 1.00 0.00 O ATOM 637 CB PRO A 41 -5.611 11.183 -14.971 1.00 0.00 C ATOM 638 CG PRO A 41 -5.849 11.271 -16.507 1.00 0.00 C ATOM 639 CD PRO A 41 -4.473 11.484 -17.168 1.00 0.00 C ATOM 0 HA PRO A 41 -3.875 12.132 -14.010 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.962 10.227 -14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.167 11.963 -14.450 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.317 10.359 -16.877 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.522 12.094 -16.746 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.208 10.640 -17.805 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.473 12.373 -17.799 1.00 0.00 H new ATOM 647 N GLU A 42 -3.673 8.953 -14.879 1.00 0.00 N ATOM 648 CA GLU A 42 -3.147 7.588 -14.478 1.00 0.00 C ATOM 649 C GLU A 42 -4.292 6.560 -14.591 1.00 0.00 C ATOM 650 O GLU A 42 -4.171 5.427 -14.175 1.00 0.00 O ATOM 651 CB GLU A 42 -2.584 7.578 -13.038 1.00 0.00 C ATOM 652 CG GLU A 42 -1.131 8.094 -13.019 1.00 0.00 C ATOM 653 CD GLU A 42 -0.666 8.303 -11.572 1.00 0.00 C ATOM 654 OE1 GLU A 42 -1.442 8.017 -10.673 1.00 0.00 O ATOM 655 OE2 GLU A 42 0.456 8.744 -11.390 1.00 0.00 O ATOM 0 H GLU A 42 -4.197 8.944 -15.754 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.328 7.331 -15.149 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.205 8.201 -12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.622 6.566 -12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.477 7.381 -13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.062 9.032 -13.571 1.00 0.00 H new ATOM 662 N TRP A 43 -5.407 6.948 -15.162 1.00 14.29 N ATOM 663 CA TRP A 43 -6.553 5.997 -15.299 1.00 10.30 C ATOM 664 C TRP A 43 -6.244 4.933 -16.359 1.00 6.82 C ATOM 665 O TRP A 43 -5.315 5.061 -17.128 1.00 6.91 O ATOM 666 CB TRP A 43 -7.806 6.771 -15.700 1.00 13.39 C ATOM 667 CG TRP A 43 -7.985 7.965 -14.818 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.379 8.154 -13.623 1.00 13.93 C ATOM 669 CD2 TRP A 43 -8.826 9.133 -15.038 1.00 7.44 C ATOM 670 NE1 TRP A 43 -7.794 9.359 -13.100 1.00 6.63 N ATOM 671 CE2 TRP A 43 -8.682 10.000 -13.934 1.00 8.43 C ATOM 672 CE3 TRP A 43 -9.688 9.522 -16.079 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -9.368 11.208 -13.857 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.381 10.741 -16.006 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.222 11.583 -14.896 1.00 8.17 C ATOM 0 H TRP A 43 -5.572 7.881 -15.539 1.00 14.29 H new ATOM 0 HA TRP A 43 -6.716 5.499 -14.343 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -7.728 7.088 -16.740 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -8.680 6.123 -15.628 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -6.684 7.472 -13.156 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -7.481 9.731 -12.203 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -9.817 8.880 -16.938 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.241 11.852 -12.999 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.041 11.032 -16.810 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -10.759 12.519 -14.845 1.00 8.17 H new ATOM 686 N TRP A 44 -7.025 3.876 -16.390 1.00 6.17 N ATOM 687 CA TRP A 44 -6.804 2.763 -17.372 1.00 5.58 C ATOM 688 C TRP A 44 -8.123 2.449 -18.090 1.00 6.91 C ATOM 689 O TRP A 44 -9.177 2.462 -17.485 1.00 8.86 O ATOM 690 CB TRP A 44 -6.413 1.478 -16.601 1.00 2.99 C ATOM 691 CG TRP A 44 -4.957 1.409 -16.208 1.00 7.04 C ATOM 692 CD1 TRP A 44 -3.966 2.279 -16.535 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.324 0.369 -15.400 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.780 1.836 -15.974 1.00 4.61 N ATOM 695 CE2 TRP A 44 -2.948 0.666 -15.271 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.810 -0.792 -14.772 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.085 -0.157 -14.547 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -3.945 -1.624 -14.042 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.585 -1.307 -13.931 1.00 11.72 C ATOM 0 H TRP A 44 -7.819 3.736 -15.766 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.028 3.064 -18.076 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.024 1.408 -15.701 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.653 0.611 -17.217 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.084 3.170 -17.134 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -1.887 2.320 -16.071 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.857 -1.046 -14.852 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.038 0.093 -14.463 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.330 -2.512 -13.564 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -1.924 -1.951 -13.370 1.00 11.72 H new ATOM 710 N LYS A 45 -8.080 2.090 -19.349 1.00 0.00 N ATOM 711 CA LYS A 45 -9.343 1.697 -20.020 1.00 0.00 C ATOM 712 C LYS A 45 -9.612 0.277 -19.570 1.00 0.00 C ATOM 713 O LYS A 45 -9.049 -0.654 -20.106 1.00 0.00 O ATOM 714 CB LYS A 45 -9.215 1.699 -21.549 1.00 0.00 C ATOM 715 CG LYS A 45 -9.043 3.163 -22.048 1.00 0.00 C ATOM 716 CD LYS A 45 -9.254 3.234 -23.577 1.00 0.00 C ATOM 717 CE LYS A 45 -8.084 2.561 -24.306 1.00 0.00 C ATOM 718 NZ LYS A 45 -8.126 2.921 -25.750 1.00 0.00 N ATOM 0 H LYS A 45 -7.240 2.054 -19.926 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.135 2.400 -19.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.360 1.095 -21.855 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.100 1.250 -22.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.758 3.813 -21.544 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.048 3.527 -21.794 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.190 2.743 -23.845 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.338 4.274 -23.892 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.138 2.879 -23.868 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.142 1.479 -24.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.333 2.465 -26.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.024 2.597 -26.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.051 3.953 -25.853 1.00 0.00 H new ATOM 732 N CYS A 46 -10.427 0.096 -18.573 1.00 0.00 N ATOM 733 CA CYS A 46 -10.687 -1.281 -18.070 1.00 0.00 C ATOM 734 C CYS A 46 -12.135 -1.651 -18.280 1.00 0.00 C ATOM 735 O CYS A 46 -13.043 -0.946 -17.881 1.00 0.00 O ATOM 736 CB CYS A 46 -10.353 -1.349 -16.580 1.00 0.00 C ATOM 737 SG CYS A 46 -11.633 -0.492 -15.629 1.00 0.00 S ATOM 0 H CYS A 46 -10.925 0.840 -18.084 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.061 -1.983 -18.620 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.283 -2.389 -16.260 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.381 -0.892 -16.394 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.704 -0.369 -16.355 1.00 0.00 H new ATOM 743 N LYS A 47 -12.360 -2.779 -18.876 1.00 0.00 N ATOM 744 CA LYS A 47 -13.744 -3.231 -19.081 1.00 0.00 C ATOM 745 C LYS A 47 -14.178 -3.888 -17.788 1.00 0.00 C ATOM 746 O LYS A 47 -13.352 -4.438 -17.094 1.00 0.00 O ATOM 747 CB LYS A 47 -13.783 -4.262 -20.213 1.00 0.00 C ATOM 748 CG LYS A 47 -15.128 -4.997 -20.219 1.00 0.00 C ATOM 749 CD LYS A 47 -15.306 -5.733 -21.550 1.00 0.00 C ATOM 750 CE LYS A 47 -16.684 -6.398 -21.583 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.971 -6.885 -22.960 1.00 0.00 N ATOM 0 H LYS A 47 -11.639 -3.407 -19.230 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.398 -2.400 -19.345 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.628 -3.766 -21.171 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.970 -4.978 -20.090 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.170 -5.706 -19.392 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.942 -4.287 -20.073 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.207 -5.034 -22.381 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.525 -6.484 -21.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.715 -7.229 -20.879 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.449 -5.687 -21.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.908 -7.336 -22.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.959 -6.083 -23.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.247 -7.577 -23.242 1.00 0.00 H new ATOM 765 N ASN A 48 -15.443 -3.870 -17.430 1.00 0.00 N ATOM 766 CA ASN A 48 -15.811 -4.582 -16.154 1.00 0.00 C ATOM 767 C ASN A 48 -16.305 -5.974 -16.539 1.00 0.00 C ATOM 768 O ASN A 48 -17.120 -6.104 -17.421 1.00 0.00 O ATOM 769 CB ASN A 48 -16.831 -3.779 -15.299 1.00 0.00 C ATOM 770 CG ASN A 48 -18.280 -3.796 -15.817 1.00 0.00 C ATOM 771 OD1 ASN A 48 -19.016 -2.871 -15.546 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.757 -4.802 -16.481 1.00 0.00 N ATOM 0 H ASN A 48 -16.205 -3.418 -17.935 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.941 -4.673 -15.504 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.821 -4.175 -14.284 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.496 -2.744 -15.240 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.736 -4.806 -16.766 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.153 -5.589 -16.718 1.00 0.00 H new ATOM 779 N ALA A 49 -15.796 -7.051 -15.953 1.00 0.00 N ATOM 780 CA ALA A 49 -16.291 -8.382 -16.395 1.00 0.00 C ATOM 781 C ALA A 49 -17.814 -8.359 -16.344 1.00 0.00 C ATOM 782 O ALA A 49 -18.482 -9.148 -16.982 1.00 0.00 O ATOM 783 CB ALA A 49 -15.757 -9.486 -15.482 1.00 0.00 C ATOM 0 H ALA A 49 -15.088 -7.054 -15.219 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.945 -8.587 -17.408 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -16.131 -10.452 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.667 -9.487 -15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -16.092 -9.307 -14.460 1.00 0.00 H new ATOM 789 N ARG A 50 -18.368 -7.423 -15.616 1.00 0.00 N ATOM 790 CA ARG A 50 -19.846 -7.317 -15.564 1.00 0.00 C ATOM 791 C ARG A 50 -20.299 -6.957 -16.976 1.00 0.00 C ATOM 792 O ARG A 50 -21.473 -6.922 -17.291 1.00 0.00 O ATOM 793 CB ARG A 50 -20.266 -6.249 -14.524 1.00 0.00 C ATOM 794 CG ARG A 50 -20.668 -6.932 -13.192 1.00 0.00 C ATOM 795 CD ARG A 50 -20.631 -5.932 -12.002 1.00 0.00 C ATOM 796 NE ARG A 50 -21.946 -5.927 -11.267 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.084 -5.743 -11.884 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.111 -5.474 -13.158 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.203 -5.802 -11.213 1.00 0.00 N ATOM 0 H ARG A 50 -17.860 -6.735 -15.061 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.314 -8.249 -15.249 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.444 -5.555 -14.352 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -21.102 -5.664 -14.909 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.670 -7.351 -13.285 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.993 -7.763 -12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.828 -6.204 -11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.411 -4.930 -12.370 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.949 -6.072 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.239 -5.405 -13.683 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.004 -5.332 -13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.187 -5.991 -10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.093 -5.659 -11.691 1.00 0.00 H new ATOM 813 N GLY A 51 -19.339 -6.740 -17.834 1.00 8.07 N ATOM 814 CA GLY A 51 -19.615 -6.433 -19.256 1.00 7.79 C ATOM 815 C GLY A 51 -19.678 -4.922 -19.524 1.00 9.08 C ATOM 816 O GLY A 51 -20.432 -4.489 -20.375 1.00 14.41 O ATOM 0 H GLY A 51 -18.348 -6.765 -17.595 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.839 -6.878 -19.879 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.560 -6.891 -19.548 1.00 7.79 H new ATOM 820 N GLN A 52 -18.900 -4.100 -18.836 1.00 0.00 N ATOM 821 CA GLN A 52 -18.959 -2.612 -19.124 1.00 0.00 C ATOM 822 C GLN A 52 -17.570 -1.985 -19.149 1.00 0.00 C ATOM 823 O GLN A 52 -16.620 -2.571 -18.725 1.00 0.00 O ATOM 824 CB GLN A 52 -19.929 -1.911 -18.126 1.00 0.00 C ATOM 825 CG GLN A 52 -19.238 -0.780 -17.341 1.00 0.00 C ATOM 826 CD GLN A 52 -20.180 -0.249 -16.280 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.610 -0.968 -15.401 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.521 1.003 -16.331 1.00 0.00 N ATOM 0 H GLN A 52 -18.244 -4.382 -18.108 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.362 -2.465 -20.126 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.779 -1.504 -18.673 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.323 -2.648 -17.427 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.324 -1.151 -16.877 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.948 0.023 -18.019 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.156 1.601 -17.072 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.154 1.388 -15.630 1.00 0.00 H new ATOM 837 N VAL A 53 -17.447 -0.789 -19.696 1.00 0.00 N ATOM 838 CA VAL A 53 -16.097 -0.144 -19.792 1.00 0.00 C ATOM 839 C VAL A 53 -16.109 1.311 -19.328 1.00 0.00 C ATOM 840 O VAL A 53 -17.111 1.998 -19.367 1.00 0.00 O ATOM 841 CB VAL A 53 -15.616 -0.190 -21.252 1.00 0.00 C ATOM 842 CG1 VAL A 53 -14.104 0.033 -21.311 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.962 -1.546 -21.881 1.00 0.00 C ATOM 0 H VAL A 53 -18.219 -0.240 -20.075 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.426 -0.699 -19.137 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.118 0.600 -21.811 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.771 -0.001 -22.348 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.863 1.007 -20.884 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.599 -0.747 -20.742 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.616 -1.566 -22.915 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.474 -2.343 -21.319 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.042 -1.694 -21.856 1.00 0.00 H new ATOM 853 N GLY A 54 -14.962 1.770 -18.894 1.00 3.62 N ATOM 854 CA GLY A 54 -14.816 3.173 -18.413 1.00 3.70 C ATOM 855 C GLY A 54 -13.423 3.354 -17.791 1.00 4.69 C ATOM 856 O GLY A 54 -12.805 2.407 -17.347 1.00 7.25 O ATOM 0 H GLY A 54 -14.105 1.218 -18.853 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.951 3.869 -19.241 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.588 3.400 -17.677 1.00 3.70 H new ATOM 860 N LEU A 55 -12.937 4.562 -17.742 1.00 0.00 N ATOM 861 CA LEU A 55 -11.594 4.816 -17.134 1.00 0.00 C ATOM 862 C LEU A 55 -11.708 4.657 -15.611 1.00 0.00 C ATOM 863 O LEU A 55 -12.754 4.881 -15.036 1.00 0.00 O ATOM 864 CB LEU A 55 -11.157 6.248 -17.494 1.00 0.00 C ATOM 865 CG LEU A 55 -10.390 6.257 -18.831 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.052 5.480 -18.712 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.275 5.632 -19.916 1.00 0.00 C ATOM 0 H LEU A 55 -13.412 5.391 -18.098 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.854 4.110 -17.512 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.032 6.895 -17.565 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.525 6.652 -16.703 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.151 7.287 -19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.532 5.502 -19.670 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.428 5.945 -17.949 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.255 4.446 -18.434 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.741 5.634 -20.866 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.520 4.607 -19.639 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.193 6.211 -20.015 1.00 0.00 H new ATOM 879 N VAL A 56 -10.645 4.260 -14.950 1.00 0.00 N ATOM 880 CA VAL A 56 -10.719 4.079 -13.466 1.00 0.00 C ATOM 881 C VAL A 56 -9.299 4.210 -12.864 1.00 0.00 C ATOM 882 O VAL A 56 -8.372 3.648 -13.414 1.00 0.00 O ATOM 883 CB VAL A 56 -11.283 2.669 -13.184 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.203 1.600 -13.392 1.00 0.00 C ATOM 885 CG2 VAL A 56 -11.792 2.582 -11.746 1.00 0.00 C ATOM 0 H VAL A 56 -9.738 4.056 -15.370 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.362 4.835 -13.017 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.104 2.492 -13.879 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.622 0.615 -13.188 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.848 1.637 -14.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.370 1.787 -12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.187 1.583 -11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.972 2.782 -11.057 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.581 3.318 -11.594 1.00 0.00 H new ATOM 895 N PRO A 57 -9.134 4.915 -11.748 1.00 3.33 N ATOM 896 CA PRO A 57 -7.801 5.037 -11.137 1.00 2.75 C ATOM 897 C PRO A 57 -7.194 3.636 -10.977 1.00 4.32 C ATOM 898 O PRO A 57 -7.688 2.812 -10.230 1.00 4.76 O ATOM 899 CB PRO A 57 -8.044 5.728 -9.776 1.00 2.92 C ATOM 900 CG PRO A 57 -9.537 6.165 -9.739 1.00 3.30 C ATOM 901 CD PRO A 57 -10.213 5.625 -11.022 1.00 2.53 C ATOM 0 HA PRO A 57 -7.098 5.615 -11.737 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -7.822 5.047 -8.954 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -7.388 6.591 -9.661 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.030 5.770 -8.851 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -9.617 7.251 -9.692 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.037 4.953 -10.782 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -10.627 6.435 -11.622 1.00 2.53 H new ATOM 909 N LYS A 58 -6.144 3.360 -11.694 1.00 0.00 N ATOM 910 CA LYS A 58 -5.507 2.015 -11.621 1.00 0.00 C ATOM 911 C LYS A 58 -5.025 1.720 -10.196 1.00 0.00 C ATOM 912 O LYS A 58 -4.432 0.691 -9.937 1.00 0.00 O ATOM 913 CB LYS A 58 -4.324 1.983 -12.598 1.00 0.00 C ATOM 914 CG LYS A 58 -3.181 2.919 -12.114 1.00 0.00 C ATOM 915 CD LYS A 58 -1.999 2.893 -13.102 1.00 0.00 C ATOM 916 CE LYS A 58 -0.884 3.824 -12.614 1.00 0.00 C ATOM 917 NZ LYS A 58 0.253 3.786 -13.578 1.00 0.00 N ATOM 0 H LYS A 58 -5.694 4.014 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.236 1.251 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.950 0.963 -12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.657 2.291 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.556 3.938 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.842 2.607 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.618 1.876 -13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.335 3.203 -14.091 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.261 4.842 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.546 3.517 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.010 4.418 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.618 2.815 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.075 4.099 -14.514 1.00 0.00 H new ATOM 931 N ASN A 59 -5.280 2.607 -9.269 1.00 10.56 N ATOM 932 CA ASN A 59 -4.845 2.379 -7.851 1.00 9.74 C ATOM 933 C ASN A 59 -6.050 1.925 -7.017 1.00 9.95 C ATOM 934 O ASN A 59 -5.915 1.553 -5.867 1.00 8.95 O ATOM 935 CB ASN A 59 -4.278 3.690 -7.282 1.00 10.40 C ATOM 936 CG ASN A 59 -2.959 4.028 -7.984 1.00 12.58 C ATOM 937 OD1 ASN A 59 -2.341 3.173 -8.584 1.00 14.84 O ATOM 938 ND2 ASN A 59 -2.501 5.248 -7.937 1.00 14.09 N ATOM 0 H ASN A 59 -5.773 3.485 -9.431 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.076 1.607 -7.817 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -4.994 4.499 -7.423 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.115 3.592 -6.209 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -1.625 5.482 -8.404 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.019 5.968 -7.433 1.00 14.09 H new ATOM 945 N TYR A 60 -7.225 1.958 -7.584 1.00 10.23 N ATOM 946 CA TYR A 60 -8.445 1.537 -6.830 1.00 5.50 C ATOM 947 C TYR A 60 -8.665 0.028 -7.011 1.00 5.21 C ATOM 948 O TYR A 60 -9.683 -0.507 -6.620 1.00 7.16 O ATOM 949 CB TYR A 60 -9.663 2.301 -7.385 1.00 3.37 C ATOM 950 CG TYR A 60 -9.791 3.659 -6.727 1.00 2.00 C ATOM 951 CD1 TYR A 60 -8.658 4.451 -6.508 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.054 4.127 -6.345 1.00 2.00 C ATOM 953 CE1 TYR A 60 -8.789 5.709 -5.909 1.00 4.04 C ATOM 954 CE2 TYR A 60 -11.187 5.382 -5.744 1.00 2.69 C ATOM 955 CZ TYR A 60 -10.055 6.176 -5.527 1.00 4.45 C ATOM 956 OH TYR A 60 -10.183 7.416 -4.935 1.00 9.52 O ATOM 0 H TYR A 60 -7.395 2.260 -8.543 1.00 10.23 H new ATOM 0 HA TYR A 60 -8.318 1.758 -5.770 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -9.561 2.422 -8.463 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -10.570 1.722 -7.214 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -7.683 4.091 -6.801 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -11.928 3.516 -6.515 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -7.915 6.320 -5.741 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -12.162 5.739 -5.447 1.00 2.69 H new ATOM 0 HH TYR A 60 -11.127 7.587 -4.734 1.00 9.52 H new ATOM 966 N VAL A 61 -7.728 -0.657 -7.611 1.00 5.00 N ATOM 967 CA VAL A 61 -7.892 -2.126 -7.829 1.00 4.84 C ATOM 968 C VAL A 61 -6.522 -2.809 -7.760 1.00 5.03 C ATOM 969 O VAL A 61 -5.502 -2.192 -7.993 1.00 5.61 O ATOM 970 CB VAL A 61 -8.512 -2.369 -9.216 1.00 6.97 C ATOM 971 CG1 VAL A 61 -9.685 -1.412 -9.433 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.461 -2.123 -10.307 1.00 2.97 C ATOM 0 H VAL A 61 -6.854 -0.263 -7.960 1.00 5.00 H new ATOM 0 HA VAL A 61 -8.544 -2.538 -7.058 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.862 -3.400 -9.269 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.121 -1.588 -10.416 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.440 -1.582 -8.666 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -9.331 -0.383 -9.372 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -7.906 -2.297 -11.287 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.108 -1.094 -10.246 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.622 -2.804 -10.164 1.00 2.97 H new ATOM 982 N VAL A 62 -6.495 -4.086 -7.461 1.00 0.00 N ATOM 983 CA VAL A 62 -5.189 -4.826 -7.397 1.00 0.00 C ATOM 984 C VAL A 62 -5.089 -5.731 -8.618 1.00 0.00 C ATOM 985 O VAL A 62 -6.073 -6.031 -9.241 1.00 0.00 O ATOM 986 CB VAL A 62 -5.133 -5.686 -6.131 1.00 0.00 C ATOM 987 CG1 VAL A 62 -5.301 -4.797 -4.898 1.00 0.00 C ATOM 988 CG2 VAL A 62 -6.259 -6.718 -6.164 1.00 0.00 C ATOM 0 H VAL A 62 -7.320 -4.650 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.365 -4.113 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.170 -6.195 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.261 -5.411 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.499 -4.059 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.263 -4.286 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.218 -7.330 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.220 -6.206 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.143 -7.355 -7.041 1.00 0.00 H new ATOM 998 N VAL A 63 -3.906 -6.163 -8.965 1.00 0.00 N ATOM 999 CA VAL A 63 -3.735 -7.058 -10.160 1.00 0.00 C ATOM 1000 C VAL A 63 -3.415 -8.481 -9.701 1.00 0.00 C ATOM 1001 O VAL A 63 -2.595 -8.696 -8.832 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.587 -6.532 -11.026 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.305 -6.453 -10.194 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.370 -7.478 -12.208 1.00 0.00 C ATOM 0 H VAL A 63 -3.042 -5.936 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.659 -7.067 -10.739 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.838 -5.537 -11.394 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.491 -6.078 -10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.459 -5.779 -9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.051 -7.446 -9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.553 -7.106 -12.827 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.121 -8.472 -11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.281 -7.531 -12.804 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.069 -9.455 -10.285 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.827 -10.882 -9.900 1.00 0.00 C ATOM 1016 C LEU A 64 -3.000 -11.568 -10.996 1.00 0.00 C ATOM 1017 O LEU A 64 -1.889 -12.001 -10.762 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.183 -11.595 -9.744 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.726 -11.425 -8.309 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.079 -9.950 -8.028 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.973 -12.301 -8.122 1.00 0.00 C ATOM 0 H LEU A 64 -4.766 -9.322 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.282 -10.928 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.898 -11.188 -10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.071 -12.655 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.952 -11.734 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.460 -9.854 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.187 -9.334 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.841 -9.617 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.354 -12.179 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.739 -12.000 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.712 -13.346 -8.288 1.00 0.00 H new ATOM 1033 N SER A 65 -3.528 -11.675 -12.187 1.00 0.00 N ATOM 1034 CA SER A 65 -2.758 -12.335 -13.281 1.00 0.00 C ATOM 1035 C SER A 65 -1.584 -11.443 -13.690 1.00 0.00 C ATOM 1036 O SER A 65 -1.634 -10.237 -13.563 1.00 0.00 O ATOM 1037 CB SER A 65 -3.670 -12.577 -14.490 1.00 0.00 C ATOM 1038 OG SER A 65 -4.374 -11.378 -14.787 1.00 0.00 O ATOM 0 H SER A 65 -4.454 -11.336 -12.448 1.00 0.00 H new ATOM 0 HA SER A 65 -2.379 -13.293 -12.925 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.079 -12.889 -15.351 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.372 -13.383 -14.276 1.00 0.00 H new ATOM 0 HG SER A 65 -5.049 -11.557 -15.475 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.519 -12.031 -14.173 1.00 0.00 N ATOM 1045 CA ASP A 66 0.667 -11.222 -14.585 1.00 0.00 C ATOM 1046 C ASP A 66 1.347 -11.892 -15.780 1.00 0.00 C ATOM 1047 O ASP A 66 1.270 -13.090 -15.959 1.00 0.00 O ATOM 1048 CB ASP A 66 1.653 -11.136 -13.419 1.00 0.00 C ATOM 1049 CG ASP A 66 2.160 -12.538 -13.072 1.00 0.00 C ATOM 1050 OD1 ASP A 66 1.672 -13.487 -13.664 1.00 0.00 O ATOM 1051 OD2 ASP A 66 3.026 -12.639 -12.220 1.00 0.00 O ATOM 0 H ASP A 66 -0.420 -13.038 -14.300 1.00 0.00 H new ATOM 0 HA ASP A 66 0.346 -10.218 -14.864 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.490 -10.491 -13.684 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.168 -10.688 -12.551 1.00 0.00 H new ATOM 1056 N GLY A 67 2.015 -11.126 -16.603 1.00 0.00 N ATOM 1057 CA GLY A 67 2.701 -11.722 -17.788 1.00 0.00 C ATOM 1058 C GLY A 67 4.069 -12.278 -17.367 1.00 0.00 C ATOM 1059 O GLY A 67 4.269 -13.476 -17.384 1.00 0.00 O ATOM 0 H GLY A 67 2.115 -10.116 -16.506 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.089 -12.518 -18.213 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.827 -10.968 -18.565 1.00 0.00 H new ATOM 1063 N PRO A 68 4.979 -11.398 -16.995 1.00 0.00 N ATOM 1064 CA PRO A 68 6.325 -11.822 -16.567 1.00 0.00 C ATOM 1065 C PRO A 68 6.211 -12.757 -15.352 1.00 0.00 C ATOM 1066 O PRO A 68 6.180 -12.315 -14.220 1.00 0.00 O ATOM 1067 CB PRO A 68 7.062 -10.509 -16.207 1.00 0.00 C ATOM 1068 CG PRO A 68 6.055 -9.338 -16.412 1.00 0.00 C ATOM 1069 CD PRO A 68 4.745 -9.938 -16.972 1.00 0.00 C ATOM 0 HA PRO A 68 6.862 -12.376 -17.337 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.414 -10.537 -15.176 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.940 -10.376 -16.840 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.868 -8.825 -15.469 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.463 -8.599 -17.102 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.892 -9.684 -16.342 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.530 -9.556 -17.970 1.00 0.00 H new ATOM 1077 N ALA A 69 6.167 -14.046 -15.586 1.00 0.00 N ATOM 1078 CA ALA A 69 6.077 -15.028 -14.470 1.00 0.00 C ATOM 1079 C ALA A 69 7.354 -15.852 -14.464 1.00 0.00 C ATOM 1080 O ALA A 69 7.414 -16.948 -14.986 1.00 0.00 O ATOM 1081 CB ALA A 69 4.876 -15.950 -14.699 1.00 0.00 C ATOM 0 H ALA A 69 6.190 -14.461 -16.517 1.00 0.00 H new ATOM 0 HA ALA A 69 5.953 -14.512 -13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.809 -16.669 -13.883 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.963 -15.356 -14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.000 -16.482 -15.642 1.00 0.00 H new ATOM 1087 N LEU A 70 8.373 -15.324 -13.869 1.00 0.00 N ATOM 1088 CA LEU A 70 9.676 -16.050 -13.802 1.00 0.00 C ATOM 1089 C LEU A 70 9.659 -17.006 -12.608 1.00 0.00 C ATOM 1090 O LEU A 70 9.417 -16.607 -11.485 1.00 0.00 O ATOM 1091 CB LEU A 70 10.815 -15.034 -13.629 1.00 0.00 C ATOM 1092 CG LEU A 70 11.018 -14.234 -14.932 1.00 0.00 C ATOM 1093 CD1 LEU A 70 11.671 -12.884 -14.613 1.00 0.00 C ATOM 1094 CD2 LEU A 70 11.926 -15.008 -15.898 1.00 0.00 C ATOM 0 H LEU A 70 8.368 -14.409 -13.418 1.00 0.00 H new ATOM 0 HA LEU A 70 9.830 -16.616 -14.721 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.584 -14.354 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.737 -15.552 -13.364 1.00 0.00 H new ATOM 0 HG LEU A 70 10.045 -14.078 -15.397 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.813 -12.321 -15.536 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.027 -12.319 -13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.637 -13.051 -14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.060 -14.431 -16.813 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.896 -15.176 -15.430 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.468 -15.967 -16.138 1.00 0.00 H new ATOM 1106 N HIS A 71 9.917 -18.263 -12.839 1.00 0.00 N ATOM 1107 CA HIS A 71 9.916 -19.243 -11.714 1.00 0.00 C ATOM 1108 C HIS A 71 8.627 -19.086 -10.905 1.00 0.00 C ATOM 1109 CB HIS A 71 11.121 -18.979 -10.809 1.00 0.00 C ATOM 1110 CG HIS A 71 11.284 -20.120 -9.843 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.311 -21.094 -9.678 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.303 -20.457 -8.986 1.00 0.00 C ATOM 1113 CE1 HIS A 71 10.760 -21.962 -8.753 1.00 0.00 C ATOM 1114 NE2 HIS A 71 11.969 -21.622 -8.299 1.00 0.00 N ATOM 0 H HIS A 71 10.128 -18.655 -13.757 1.00 0.00 H new ATOM 0 HA HIS A 71 9.975 -20.256 -12.112 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.023 -18.866 -11.411 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.982 -18.045 -10.265 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.222 -19.904 -8.863 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.209 -22.829 -8.418 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.528 -22.110 -7.599 1.00 0.00 H new ATOM 1123 N GLY B 72 -14.049 -14.442 7.291 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.152 -14.530 6.103 1.00 0.00 C ATOM 1125 C GLY B 72 -12.730 -13.122 5.677 1.00 0.00 C ATOM 1126 O GLY B 72 -12.893 -12.734 4.538 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.273 -15.128 6.341 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -13.666 -15.031 5.283 1.00 0.00 H new ATOM 1131 N SER B 73 -12.188 -12.355 6.583 1.00 0.00 N ATOM 1132 CA SER B 73 -11.756 -10.975 6.228 1.00 0.00 C ATOM 1133 C SER B 73 -10.417 -11.031 5.491 1.00 0.00 C ATOM 1134 O SER B 73 -9.660 -11.971 5.633 1.00 0.00 O ATOM 1135 CB SER B 73 -11.600 -10.146 7.504 1.00 0.00 C ATOM 1136 OG SER B 73 -12.722 -10.366 8.347 1.00 0.00 O ATOM 0 H SER B 73 -12.026 -12.625 7.553 1.00 0.00 H new ATOM 0 HA SER B 73 -12.506 -10.515 5.584 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.682 -10.423 8.022 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.519 -9.088 7.256 1.00 0.00 H new ATOM 0 HG SER B 73 -12.624 -9.837 9.166 1.00 0.00 H new ATOM 1142 N MET B 74 -10.119 -10.033 4.705 1.00 0.00 N ATOM 1143 CA MET B 74 -8.827 -10.031 3.961 1.00 0.00 C ATOM 1144 C MET B 74 -7.681 -10.335 4.927 1.00 0.00 C ATOM 1145 O MET B 74 -7.850 -10.319 6.130 1.00 0.00 O ATOM 1146 CB MET B 74 -8.608 -8.658 3.322 1.00 0.00 C ATOM 1147 CG MET B 74 -9.898 -8.200 2.640 1.00 0.00 C ATOM 1148 SD MET B 74 -9.555 -6.755 1.608 1.00 0.00 S ATOM 1149 CE MET B 74 -11.181 -5.976 1.756 1.00 0.00 C ATOM 0 H MET B 74 -10.713 -9.220 4.546 1.00 0.00 H new ATOM 0 HA MET B 74 -8.855 -10.793 3.182 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.309 -7.935 4.081 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.798 -8.709 2.594 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.306 -9.007 2.031 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.651 -7.955 3.389 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.193 -5.048 1.184 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.944 -6.651 1.369 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.386 -5.759 2.804 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.515 -10.612 4.410 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.358 -10.918 5.301 1.00 0.00 C ATOM 1161 C GLY B 75 -4.074 -10.966 4.474 1.00 0.00 C ATOM 1162 O GLY B 75 -3.277 -11.875 4.603 1.00 0.00 O ATOM 0 H GLY B 75 -6.313 -10.640 3.411 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.274 -10.159 6.078 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.515 -11.873 5.803 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.866 -9.997 3.624 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.630 -9.990 2.788 1.00 0.00 C ATOM 1168 C VAL B 76 -2.306 -8.549 2.370 1.00 0.00 C ATOM 1169 O VAL B 76 -3.162 -7.852 1.865 1.00 0.00 O ATOM 1170 CB VAL B 76 -2.860 -10.831 1.522 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.018 -10.280 0.373 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.456 -12.284 1.763 1.00 0.00 C ATOM 0 H VAL B 76 -4.497 -9.210 3.472 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.804 -10.407 3.365 1.00 0.00 H new ATOM 0 HB VAL B 76 -3.920 -10.783 1.271 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.185 -10.880 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.304 -9.247 0.175 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -0.963 -10.319 0.644 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.626 -12.864 0.856 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.400 -12.329 2.030 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.053 -12.698 2.575 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.070 -8.156 2.562 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.616 -6.817 2.178 1.00 0.00 C ATOM 1184 C PRO B 77 -0.473 -6.763 0.674 1.00 0.00 C ATOM 1185 O PRO B 77 -0.432 -7.776 0.006 1.00 0.00 O ATOM 1186 CB PRO B 77 0.753 -6.656 2.847 1.00 0.00 C ATOM 1187 CG PRO B 77 1.133 -8.028 3.448 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.031 -8.990 3.187 1.00 0.00 C ATOM 0 HA PRO B 77 -1.307 -6.030 2.480 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.500 -6.334 2.122 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.714 -5.893 3.625 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.049 -8.404 2.993 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.322 -7.938 4.518 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.269 -9.807 2.531 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.388 -9.440 4.113 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.400 -5.591 0.139 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.262 -5.470 -1.325 1.00 0.00 C ATOM 1198 C ILE B 78 0.799 -4.432 -1.646 1.00 0.00 C ATOM 1199 O ILE B 78 0.713 -3.281 -1.263 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.609 -5.095 -1.928 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.578 -6.235 -1.615 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.459 -4.941 -3.437 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.024 -5.798 -1.810 1.00 0.00 C ATOM 0 H ILE B 78 -0.430 -4.709 0.651 1.00 0.00 H new ATOM 0 HA ILE B 78 0.051 -6.421 -1.757 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.977 -4.155 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.362 -7.087 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.432 -6.569 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.421 -4.672 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.732 -4.158 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.116 -5.882 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.690 -6.630 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.244 -4.962 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.174 -5.488 -2.844 1.00 0.00 H new ATOM 1215 N CYS B 79 1.819 -4.854 -2.326 1.00 0.00 N ATOM 1216 CA CYS B 79 2.933 -3.940 -2.664 1.00 0.00 C ATOM 1217 C CYS B 79 2.407 -2.757 -3.463 1.00 0.00 C ATOM 1218 O CYS B 79 1.892 -2.899 -4.553 1.00 0.00 O ATOM 1219 CB CYS B 79 3.986 -4.702 -3.466 1.00 0.00 C ATOM 1220 SG CYS B 79 5.202 -3.546 -4.136 1.00 0.00 S ATOM 0 H CYS B 79 1.929 -5.809 -2.667 1.00 0.00 H new ATOM 0 HA CYS B 79 3.389 -3.563 -1.748 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.481 -5.435 -2.829 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.510 -5.253 -4.277 1.00 0.00 H new ATOM 0 HG CYS B 79 5.925 -4.148 -5.033 1.00 0.00 H new ATOM 1225 N GLY B 80 2.534 -1.588 -2.914 1.00 0.00 N ATOM 1226 CA GLY B 80 2.046 -0.372 -3.616 1.00 0.00 C ATOM 1227 C GLY B 80 2.858 -0.166 -4.892 1.00 0.00 C ATOM 1228 O GLY B 80 2.639 0.768 -5.635 1.00 0.00 O ATOM 0 H GLY B 80 2.958 -1.419 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY B 80 0.988 -0.477 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.140 0.499 -2.967 1.00 0.00 H new ATOM 1232 N ALA B 81 3.798 -1.031 -5.150 1.00 0.00 N ATOM 1233 CA ALA B 81 4.630 -0.885 -6.375 1.00 0.00 C ATOM 1234 C ALA B 81 3.929 -1.569 -7.548 1.00 0.00 C ATOM 1235 O ALA B 81 3.790 -1.007 -8.616 1.00 0.00 O ATOM 1236 CB ALA B 81 5.999 -1.528 -6.141 1.00 0.00 C ATOM 0 H ALA B 81 4.026 -1.834 -4.564 1.00 0.00 H new ATOM 0 HA ALA B 81 4.765 0.172 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.609 -1.421 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.494 -1.035 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA B 81 5.870 -2.586 -5.914 1.00 0.00 H new ATOM 1242 N CYS B 82 3.490 -2.778 -7.350 1.00 0.00 N ATOM 1243 CA CYS B 82 2.794 -3.518 -8.440 1.00 0.00 C ATOM 1244 C CYS B 82 1.349 -3.788 -8.021 1.00 0.00 C ATOM 1245 O CYS B 82 0.610 -4.463 -8.708 1.00 0.00 O ATOM 1246 CB CYS B 82 3.510 -4.848 -8.684 1.00 0.00 C ATOM 1247 SG CYS B 82 4.034 -5.545 -7.099 1.00 0.00 S ATOM 0 H CYS B 82 3.583 -3.291 -6.473 1.00 0.00 H new ATOM 0 HA CYS B 82 2.805 -2.925 -9.354 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.846 -5.543 -9.198 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.374 -4.696 -9.331 1.00 0.00 H new ATOM 0 HG CYS B 82 5.328 -5.466 -6.997 1.00 0.00 H new ATOM 1252 N ARG B 83 0.944 -3.274 -6.890 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.447 -3.510 -6.425 1.00 0.00 C ATOM 1254 C ARG B 83 -0.703 -5.014 -6.417 1.00 0.00 C ATOM 1255 O ARG B 83 -1.758 -5.479 -6.803 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.435 -2.820 -7.370 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.219 -1.298 -7.326 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.166 -0.600 -8.312 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.805 -0.956 -9.723 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.881 -0.302 -10.377 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -0.350 0.779 -9.873 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -0.516 -0.710 -11.562 1.00 0.00 N ATOM 0 H ARG B 83 1.518 -2.702 -6.271 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.581 -3.102 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.297 -3.187 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.458 -3.060 -7.080 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.396 -0.927 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.184 -1.063 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -3.195 -0.894 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.110 0.480 -8.177 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.291 -1.726 -10.183 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.655 1.120 -8.962 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.370 1.282 -10.391 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.951 -1.536 -11.974 1.00 0.00 H new ATOM 0 HH22 ARG B 83 0.204 -0.203 -12.076 1.00 0.00 H new ATOM 1276 N ARG B 84 0.263 -5.777 -5.973 1.00 0.00 N ATOM 1277 CA ARG B 84 0.097 -7.258 -5.927 1.00 0.00 C ATOM 1278 C ARG B 84 0.144 -7.707 -4.463 1.00 0.00 C ATOM 1279 O ARG B 84 0.892 -7.151 -3.683 1.00 0.00 O ATOM 1280 CB ARG B 84 1.241 -7.922 -6.700 1.00 0.00 C ATOM 1281 CG ARG B 84 0.860 -8.056 -8.177 1.00 0.00 C ATOM 1282 CD ARG B 84 1.876 -8.955 -8.885 1.00 0.00 C ATOM 1283 NE ARG B 84 2.164 -10.143 -8.035 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.355 -10.679 -8.042 1.00 0.00 C ATOM 1285 NH1 ARG B 84 4.292 -10.170 -8.795 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.607 -11.721 -7.299 1.00 0.00 N ATOM 0 H ARG B 84 1.164 -5.434 -5.639 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.854 -7.544 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.150 -7.329 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.454 -8.905 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG B 84 -0.141 -8.477 -8.269 1.00 0.00 H new ATOM 0 HG3 ARG B 84 0.837 -7.073 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG B 84 1.485 -9.272 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.795 -8.401 -9.079 1.00 0.00 H new ATOM 0 HE ARG B 84 1.431 -10.539 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG B 84 4.093 -9.356 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG B 84 5.223 -10.587 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.874 -12.118 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.537 -12.139 -7.305 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.649 -8.694 -4.120 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.688 -9.204 -2.738 1.00 0.00 C ATOM 1302 C PRO B 85 0.706 -9.642 -2.288 1.00 0.00 C ATOM 1303 O PRO B 85 1.262 -10.596 -2.794 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.668 -10.388 -2.785 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.243 -10.472 -4.215 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.556 -9.384 -5.060 1.00 0.00 C ATOM 0 HA PRO B 85 -1.008 -8.448 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.159 -11.315 -2.524 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.469 -10.249 -2.059 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.063 -11.459 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.323 -10.322 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.005 -9.819 -5.894 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.285 -8.694 -5.485 1.00 0.00 H new ATOM 1314 N ILE B 86 1.270 -8.950 -1.331 1.00 0.00 N ATOM 1315 CA ILE B 86 2.628 -9.336 -0.845 1.00 0.00 C ATOM 1316 C ILE B 86 2.513 -10.647 -0.063 1.00 0.00 C ATOM 1317 O ILE B 86 1.444 -11.006 0.393 1.00 0.00 O ATOM 1318 CB ILE B 86 3.203 -8.225 0.042 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.393 -6.955 -0.796 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.560 -8.661 0.601 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.242 -5.717 0.096 1.00 0.00 C ATOM 0 H ILE B 86 0.853 -8.142 -0.869 1.00 0.00 H new ATOM 0 HA ILE B 86 3.302 -9.476 -1.690 1.00 0.00 H new ATOM 0 HB ILE B 86 2.515 -8.029 0.865 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.378 -6.960 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.659 -6.926 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.966 -7.869 1.231 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.435 -9.568 1.193 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.247 -8.857 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.378 -4.817 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.247 -5.709 0.542 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.993 -5.743 0.885 1.00 0.00 H new ATOM 1333 N GLU B 87 3.584 -11.380 0.081 1.00 0.00 N ATOM 1334 CA GLU B 87 3.484 -12.677 0.819 1.00 0.00 C ATOM 1335 C GLU B 87 4.865 -13.133 1.295 1.00 0.00 C ATOM 1336 O GLU B 87 5.348 -14.186 0.924 1.00 0.00 O ATOM 1337 CB GLU B 87 2.882 -13.740 -0.103 1.00 0.00 C ATOM 1338 CG GLU B 87 3.449 -13.573 -1.515 1.00 0.00 C ATOM 1339 CD GLU B 87 3.182 -14.841 -2.328 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.080 -14.975 -2.832 1.00 0.00 O ATOM 1341 OE2 GLU B 87 4.085 -15.655 -2.429 1.00 0.00 O ATOM 0 H GLU B 87 4.511 -11.144 -0.273 1.00 0.00 H new ATOM 0 HA GLU B 87 2.844 -12.538 1.691 1.00 0.00 H new ATOM 0 HB2 GLU B 87 3.110 -14.736 0.276 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.796 -13.647 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.990 -12.713 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.520 -13.378 -1.467 1.00 0.00 H new ATOM 1348 N GLY B 88 5.493 -12.356 2.124 1.00 0.00 N ATOM 1349 CA GLY B 88 6.835 -12.725 2.651 1.00 0.00 C ATOM 1350 C GLY B 88 7.243 -11.663 3.660 1.00 0.00 C ATOM 1351 O GLY B 88 6.759 -11.626 4.773 1.00 0.00 O ATOM 0 H GLY B 88 5.130 -11.466 2.466 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.804 -13.708 3.121 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.562 -12.782 1.841 1.00 0.00 H new ATOM 1355 N ARG B 89 8.097 -10.774 3.259 1.00 0.00 N ATOM 1356 CA ARG B 89 8.512 -9.670 4.160 1.00 0.00 C ATOM 1357 C ARG B 89 7.965 -8.381 3.564 1.00 0.00 C ATOM 1358 O ARG B 89 8.239 -8.043 2.428 1.00 0.00 O ATOM 1359 CB ARG B 89 10.034 -9.611 4.255 1.00 0.00 C ATOM 1360 CG ARG B 89 10.534 -10.766 5.122 1.00 0.00 C ATOM 1361 CD ARG B 89 12.000 -10.525 5.502 1.00 0.00 C ATOM 1362 NE ARG B 89 12.785 -11.788 5.340 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.321 -12.930 5.771 1.00 0.00 C ATOM 1364 NH1 ARG B 89 11.196 -12.980 6.429 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.997 -14.027 5.563 1.00 0.00 N ATOM 0 H ARG B 89 8.531 -10.763 2.336 1.00 0.00 H new ATOM 0 HA ARG B 89 8.126 -9.823 5.168 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.474 -9.672 3.260 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.346 -8.659 4.684 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.924 -10.850 6.021 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.438 -11.708 4.582 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.423 -9.741 4.874 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.065 -10.177 6.533 1.00 0.00 H new ATOM 0 HE ARG B 89 13.698 -11.757 4.885 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.673 -12.123 6.610 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.840 -13.876 6.763 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.886 -13.991 5.065 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.636 -14.920 5.899 1.00 0.00 H new ATOM 1379 N VAL B 90 7.155 -7.687 4.299 1.00 0.00 N ATOM 1380 CA VAL B 90 6.531 -6.443 3.761 1.00 0.00 C ATOM 1381 C VAL B 90 7.279 -5.204 4.235 1.00 0.00 C ATOM 1382 O VAL B 90 7.958 -5.213 5.244 1.00 0.00 O ATOM 1383 CB VAL B 90 5.085 -6.363 4.253 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.383 -5.147 3.630 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.334 -7.638 3.851 1.00 0.00 C ATOM 0 H VAL B 90 6.892 -7.924 5.256 1.00 0.00 H new ATOM 0 HA VAL B 90 6.570 -6.478 2.672 1.00 0.00 H new ATOM 0 HB VAL B 90 5.087 -6.262 5.338 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.354 -5.099 3.986 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.909 -4.237 3.917 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.387 -5.242 2.544 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.304 -7.580 4.202 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.342 -7.738 2.766 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.821 -8.504 4.299 1.00 0.00 H new ATOM 1395 N VAL B 91 7.123 -4.120 3.520 1.00 0.00 N ATOM 1396 CA VAL B 91 7.773 -2.844 3.919 1.00 0.00 C ATOM 1397 C VAL B 91 6.670 -1.810 4.082 1.00 0.00 C ATOM 1398 O VAL B 91 5.979 -1.479 3.143 1.00 0.00 O ATOM 1399 CB VAL B 91 8.761 -2.391 2.843 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.007 -0.882 2.972 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.084 -3.131 3.032 1.00 0.00 C ATOM 0 H VAL B 91 6.566 -4.068 2.667 1.00 0.00 H new ATOM 0 HA VAL B 91 8.328 -2.971 4.848 1.00 0.00 H new ATOM 0 HB VAL B 91 8.350 -2.610 1.858 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.711 -0.561 2.204 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.065 -0.348 2.846 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.420 -0.663 3.957 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.792 -2.812 2.267 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.489 -2.906 4.018 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.916 -4.204 2.945 1.00 0.00 H new ATOM 1411 N ASN B 92 6.475 -1.314 5.266 1.00 0.00 N ATOM 1412 CA ASN B 92 5.392 -0.316 5.468 1.00 0.00 C ATOM 1413 C ASN B 92 5.943 1.088 5.241 1.00 0.00 C ATOM 1414 O ASN B 92 6.670 1.626 6.053 1.00 0.00 O ATOM 1415 CB ASN B 92 4.855 -0.437 6.889 1.00 0.00 C ATOM 1416 CG ASN B 92 4.120 -1.771 7.050 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.258 -1.905 7.894 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.428 -2.766 6.264 1.00 0.00 N ATOM 0 H ASN B 92 7.013 -1.553 6.099 1.00 0.00 H new ATOM 0 HA ASN B 92 4.585 -0.502 4.759 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.675 -0.373 7.605 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.179 0.390 7.104 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.944 -3.659 6.358 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.153 -2.651 5.556 1.00 0.00 H new ATOM 1425 N ALA B 93 5.598 1.683 4.135 1.00 0.00 N ATOM 1426 CA ALA B 93 6.090 3.054 3.836 1.00 0.00 C ATOM 1427 C ALA B 93 4.994 3.822 3.103 1.00 0.00 C ATOM 1428 O ALA B 93 4.091 3.237 2.539 1.00 0.00 O ATOM 1429 CB ALA B 93 7.329 2.965 2.943 1.00 0.00 C ATOM 0 H ALA B 93 4.993 1.276 3.422 1.00 0.00 H new ATOM 0 HA ALA B 93 6.347 3.566 4.763 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.691 3.969 2.722 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.108 2.403 3.457 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.071 2.460 2.012 1.00 0.00 H new ATOM 1435 N MET B 94 5.052 5.124 3.111 1.00 0.00 N ATOM 1436 CA MET B 94 3.998 5.909 2.417 1.00 0.00 C ATOM 1437 C MET B 94 2.658 5.534 3.022 1.00 0.00 C ATOM 1438 O MET B 94 1.607 5.760 2.450 1.00 0.00 O ATOM 1439 CB MET B 94 3.989 5.564 0.926 1.00 0.00 C ATOM 1440 CG MET B 94 5.419 5.519 0.381 1.00 0.00 C ATOM 1441 SD MET B 94 6.026 7.208 0.153 1.00 0.00 S ATOM 1442 CE MET B 94 7.743 6.919 0.644 1.00 0.00 C ATOM 0 H MET B 94 5.780 5.675 3.566 1.00 0.00 H new ATOM 0 HA MET B 94 4.190 6.976 2.533 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.504 4.600 0.772 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.407 6.305 0.378 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.066 4.978 1.071 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.442 4.981 -0.567 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.208 7.866 0.918 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.768 6.242 1.498 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.289 6.474 -0.188 1.00 0.00 H new ATOM 1452 N GLY B 95 2.699 4.940 4.169 1.00 0.00 N ATOM 1453 CA GLY B 95 1.441 4.510 4.833 1.00 0.00 C ATOM 1454 C GLY B 95 0.860 3.345 4.038 1.00 0.00 C ATOM 1455 O GLY B 95 -0.330 3.098 4.042 1.00 0.00 O ATOM 0 H GLY B 95 3.554 4.730 4.684 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.638 4.208 5.862 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.730 5.335 4.873 1.00 0.00 H new ATOM 1459 N LYS B 96 1.708 2.639 3.344 1.00 0.00 N ATOM 1460 CA LYS B 96 1.255 1.490 2.514 1.00 0.00 C ATOM 1461 C LYS B 96 2.114 0.263 2.815 1.00 0.00 C ATOM 1462 O LYS B 96 2.689 0.132 3.874 1.00 0.00 O ATOM 1463 CB LYS B 96 1.412 1.861 1.033 1.00 0.00 C ATOM 1464 CG LYS B 96 0.499 3.051 0.689 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.383 2.696 -0.515 1.00 0.00 C ATOM 1466 CE LYS B 96 -1.111 3.950 -1.003 1.00 0.00 C ATOM 1467 NZ LYS B 96 -2.108 4.375 0.022 1.00 0.00 N ATOM 0 H LYS B 96 2.713 2.813 3.317 1.00 0.00 H new ATOM 0 HA LYS B 96 0.213 1.263 2.740 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.450 2.116 0.822 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.160 1.005 0.407 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -0.124 3.303 1.547 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.102 3.931 0.464 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.228 2.282 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -1.105 1.929 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.395 4.752 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.611 3.748 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.707 5.130 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.702 3.563 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.611 4.728 0.864 1.00 0.00 H new ATOM 1481 N GLN B 97 2.201 -0.627 1.871 1.00 0.00 N ATOM 1482 CA GLN B 97 3.013 -1.859 2.032 1.00 0.00 C ATOM 1483 C GLN B 97 3.800 -2.040 0.734 1.00 0.00 C ATOM 1484 O GLN B 97 3.313 -1.714 -0.330 1.00 0.00 O ATOM 1485 CB GLN B 97 2.064 -3.038 2.248 1.00 0.00 C ATOM 1486 CG GLN B 97 1.569 -3.025 3.710 1.00 0.00 C ATOM 1487 CD GLN B 97 0.098 -3.455 3.792 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.483 -3.461 4.855 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.531 -3.819 2.709 1.00 0.00 N ATOM 0 H GLN B 97 1.730 -0.549 0.970 1.00 0.00 H new ATOM 0 HA GLN B 97 3.693 -1.797 2.882 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.218 -2.970 1.564 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.575 -3.976 2.032 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.182 -3.695 4.312 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.684 -2.025 4.129 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.046 -3.815 1.812 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.508 -4.107 2.759 1.00 0.00 H new ATOM 1498 N TRP B 98 5.018 -2.506 0.788 1.00 0.00 N ATOM 1499 CA TRP B 98 5.797 -2.636 -0.475 1.00 0.00 C ATOM 1500 C TRP B 98 6.637 -3.914 -0.461 1.00 0.00 C ATOM 1501 O TRP B 98 7.232 -4.258 0.539 1.00 0.00 O ATOM 1502 CB TRP B 98 6.725 -1.423 -0.589 1.00 0.00 C ATOM 1503 CG TRP B 98 5.912 -0.171 -0.497 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.514 0.422 0.654 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.395 0.648 -1.578 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.778 1.553 0.340 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.677 1.732 -1.024 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.479 0.549 -2.971 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.061 2.685 -1.833 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 4.865 1.503 -3.790 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.155 2.571 -3.224 1.00 0.00 C ATOM 0 H TRP B 98 5.501 -2.798 1.638 1.00 0.00 H new ATOM 0 HA TRP B 98 5.113 -2.683 -1.322 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.471 -1.445 0.205 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.265 -1.451 -1.535 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.734 0.071 1.651 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.362 2.176 1.032 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.022 -0.271 -3.418 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.515 3.505 -1.390 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 4.938 1.416 -4.864 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.682 3.304 -3.860 1.00 0.00 H new ATOM 1522 N HIS B 99 6.725 -4.605 -1.571 1.00 0.00 N ATOM 1523 CA HIS B 99 7.572 -5.831 -1.586 1.00 0.00 C ATOM 1524 C HIS B 99 8.972 -5.405 -1.156 1.00 0.00 C ATOM 1525 O HIS B 99 9.510 -4.439 -1.656 1.00 0.00 O ATOM 1526 CB HIS B 99 7.656 -6.428 -2.994 1.00 0.00 C ATOM 1527 CG HIS B 99 6.441 -7.265 -3.285 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.546 -6.935 -4.288 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.972 -8.429 -2.731 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.590 -7.883 -4.309 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.804 -8.817 -3.380 1.00 0.00 N ATOM 0 H HIS B 99 6.257 -4.378 -2.448 1.00 0.00 H new ATOM 0 HA HIS B 99 7.145 -6.584 -0.923 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.739 -5.628 -3.730 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.555 -7.038 -3.084 1.00 0.00 H new ATOM 0 HD1 HIS B 99 5.601 -6.121 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.438 -8.963 -1.916 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.754 -7.887 -4.993 1.00 0.00 H new ATOM 1539 N VAL B 100 9.572 -6.103 -0.246 1.00 0.00 N ATOM 1540 CA VAL B 100 10.935 -5.711 0.186 1.00 0.00 C ATOM 1541 C VAL B 100 11.817 -5.600 -1.052 1.00 0.00 C ATOM 1542 O VAL B 100 12.905 -5.058 -1.016 1.00 0.00 O ATOM 1543 CB VAL B 100 11.481 -6.784 1.121 1.00 0.00 C ATOM 1544 CG1 VAL B 100 13.006 -6.693 1.180 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.895 -6.572 2.514 1.00 0.00 C ATOM 0 H VAL B 100 9.183 -6.924 0.217 1.00 0.00 H new ATOM 0 HA VAL B 100 10.916 -4.755 0.709 1.00 0.00 H new ATOM 0 HB VAL B 100 11.202 -7.771 0.751 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.391 -7.462 1.850 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.418 -6.842 0.182 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.298 -5.710 1.551 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.280 -7.335 3.191 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.178 -5.585 2.881 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.808 -6.644 2.466 1.00 0.00 H new ATOM 1555 N GLU B 101 11.353 -6.129 -2.145 1.00 0.00 N ATOM 1556 CA GLU B 101 12.149 -6.090 -3.399 1.00 0.00 C ATOM 1557 C GLU B 101 11.723 -4.901 -4.270 1.00 0.00 C ATOM 1558 O GLU B 101 12.496 -4.402 -5.064 1.00 0.00 O ATOM 1559 CB GLU B 101 11.921 -7.395 -4.169 1.00 0.00 C ATOM 1560 CG GLU B 101 12.535 -7.298 -5.567 1.00 0.00 C ATOM 1561 CD GLU B 101 13.999 -6.864 -5.458 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.780 -7.618 -4.899 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.314 -5.786 -5.933 1.00 0.00 O ATOM 0 H GLU B 101 10.447 -6.591 -2.224 1.00 0.00 H new ATOM 0 HA GLU B 101 13.204 -5.977 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.366 -8.229 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.853 -7.598 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.468 -8.262 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.977 -6.582 -6.171 1.00 0.00 H new ATOM 1570 N HIS B 102 10.497 -4.449 -4.151 1.00 0.00 N ATOM 1571 CA HIS B 102 10.043 -3.304 -5.002 1.00 0.00 C ATOM 1572 C HIS B 102 10.125 -1.988 -4.233 1.00 0.00 C ATOM 1573 O HIS B 102 9.946 -0.929 -4.797 1.00 0.00 O ATOM 1574 CB HIS B 102 8.601 -3.540 -5.466 1.00 0.00 C ATOM 1575 CG HIS B 102 8.549 -4.771 -6.334 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.423 -5.581 -6.433 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.490 -5.340 -7.157 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.719 -6.577 -7.289 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.963 -6.479 -7.756 1.00 0.00 N ATOM 0 H HIS B 102 9.797 -4.819 -3.508 1.00 0.00 H new ATOM 0 HA HIS B 102 10.701 -3.240 -5.869 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.945 -3.662 -4.604 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.240 -2.674 -6.021 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.489 -4.960 -7.315 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.030 -7.362 -7.564 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.429 -7.105 -8.412 1.00 0.00 H new ATOM 1587 N PHE B 103 10.431 -2.021 -2.966 1.00 0.00 N ATOM 1588 CA PHE B 103 10.551 -0.739 -2.229 1.00 0.00 C ATOM 1589 C PHE B 103 11.924 -0.172 -2.549 1.00 0.00 C ATOM 1590 O PHE B 103 12.935 -0.683 -2.115 1.00 0.00 O ATOM 1591 CB PHE B 103 10.412 -0.941 -0.720 1.00 0.00 C ATOM 1592 CG PHE B 103 10.198 0.410 -0.074 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.081 1.183 -0.417 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.127 0.901 0.854 1.00 0.00 C ATOM 1595 CE1 PHE B 103 8.889 2.438 0.165 1.00 0.00 C ATOM 1596 CE2 PHE B 103 10.932 2.161 1.435 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.816 2.929 1.090 1.00 0.00 C ATOM 0 H PHE B 103 10.600 -2.865 -2.419 1.00 0.00 H new ATOM 0 HA PHE B 103 9.754 -0.060 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.574 -1.603 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.306 -1.416 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.366 0.807 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE B 103 11.991 0.310 1.120 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.025 3.029 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.646 2.540 2.151 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.670 3.901 1.538 1.00 0.00 H new ATOM 1607 N VAL B 104 11.968 0.844 -3.357 1.00 0.00 N ATOM 1608 CA VAL B 104 13.276 1.415 -3.765 1.00 0.00 C ATOM 1609 C VAL B 104 13.270 2.931 -3.659 1.00 0.00 C ATOM 1610 O VAL B 104 12.265 3.559 -3.389 1.00 0.00 O ATOM 1611 CB VAL B 104 13.525 1.055 -5.229 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.511 -0.469 -5.423 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.431 1.695 -6.090 1.00 0.00 C ATOM 0 H VAL B 104 11.150 1.306 -3.755 1.00 0.00 H new ATOM 0 HA VAL B 104 14.048 1.012 -3.109 1.00 0.00 H new ATOM 0 HB VAL B 104 14.504 1.429 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.690 -0.704 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.292 -0.921 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.541 -0.865 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.599 1.444 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.456 1.319 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.458 2.778 -5.967 1.00 0.00 H new ATOM 1623 N CYS B 105 14.404 3.512 -3.904 1.00 0.00 N ATOM 1624 CA CYS B 105 14.527 4.988 -3.867 1.00 0.00 C ATOM 1625 C CYS B 105 13.633 5.597 -4.945 1.00 0.00 C ATOM 1626 O CYS B 105 13.407 5.008 -5.984 1.00 0.00 O ATOM 1627 CB CYS B 105 15.984 5.348 -4.143 1.00 0.00 C ATOM 1628 SG CYS B 105 16.111 7.062 -4.716 1.00 0.00 S ATOM 0 H CYS B 105 15.266 3.017 -4.132 1.00 0.00 H new ATOM 0 HA CYS B 105 14.221 5.374 -2.894 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.576 5.215 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.396 4.675 -4.895 1.00 0.00 H new ATOM 0 HG CYS B 105 17.363 7.406 -4.782 1.00 0.00 H new ATOM 1633 N ALA B 106 13.117 6.767 -4.707 1.00 0.00 N ATOM 1634 CA ALA B 106 12.234 7.411 -5.715 1.00 0.00 C ATOM 1635 C ALA B 106 13.070 8.300 -6.642 1.00 0.00 C ATOM 1636 O ALA B 106 12.590 9.281 -7.177 1.00 0.00 O ATOM 1637 CB ALA B 106 11.195 8.254 -4.981 1.00 0.00 C ATOM 0 H ALA B 106 13.269 7.307 -3.855 1.00 0.00 H new ATOM 0 HA ALA B 106 11.736 6.651 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.538 8.734 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.605 7.614 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA B 106 11.699 9.017 -4.387 1.00 0.00 H new ATOM 1643 N LYS B 107 14.318 7.960 -6.838 1.00 0.00 N ATOM 1644 CA LYS B 107 15.197 8.780 -7.735 1.00 0.00 C ATOM 1645 C LYS B 107 16.070 7.864 -8.597 1.00 0.00 C ATOM 1646 O LYS B 107 16.426 8.201 -9.708 1.00 0.00 O ATOM 1647 CB LYS B 107 16.115 9.668 -6.886 1.00 0.00 C ATOM 1648 CG LYS B 107 16.959 10.572 -7.792 1.00 0.00 C ATOM 1649 CD LYS B 107 16.045 11.477 -8.627 1.00 0.00 C ATOM 1650 CE LYS B 107 16.755 12.802 -8.923 1.00 0.00 C ATOM 1651 NZ LYS B 107 16.626 13.707 -7.744 1.00 0.00 N ATOM 0 H LYS B 107 14.770 7.149 -6.416 1.00 0.00 H new ATOM 0 HA LYS B 107 14.564 9.395 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.518 10.276 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS B 107 16.766 9.048 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS B 107 17.633 11.180 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS B 107 17.581 9.964 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS B 107 15.780 10.980 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.115 11.664 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS B 107 17.807 12.622 -9.144 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.320 13.271 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 16.657 14.697 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 15.721 13.525 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 17.410 13.531 -7.084 1.00 0.00 H new ATOM 1665 N CYS B 108 16.436 6.718 -8.084 1.00 0.00 N ATOM 1666 CA CYS B 108 17.312 5.791 -8.866 1.00 0.00 C ATOM 1667 C CYS B 108 16.705 4.390 -8.891 1.00 0.00 C ATOM 1668 O CYS B 108 17.091 3.555 -9.682 1.00 0.00 O ATOM 1669 CB CYS B 108 18.677 5.731 -8.188 1.00 0.00 C ATOM 1670 SG CYS B 108 18.486 5.009 -6.546 1.00 0.00 S ATOM 0 H CYS B 108 16.167 6.383 -7.159 1.00 0.00 H new ATOM 0 HA CYS B 108 17.407 6.154 -9.889 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.367 5.134 -8.784 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.104 6.731 -8.112 1.00 0.00 H new ATOM 0 HG CYS B 108 17.760 5.795 -5.808 1.00 0.00 H new ATOM 1675 N GLU B 109 15.759 4.125 -8.033 1.00 0.00 N ATOM 1676 CA GLU B 109 15.125 2.785 -8.002 1.00 0.00 C ATOM 1677 C GLU B 109 16.098 1.756 -7.432 1.00 0.00 C ATOM 1678 O GLU B 109 16.259 0.679 -7.966 1.00 0.00 O ATOM 1679 CB GLU B 109 14.690 2.364 -9.412 1.00 0.00 C ATOM 1680 CG GLU B 109 14.104 3.571 -10.160 1.00 0.00 C ATOM 1681 CD GLU B 109 13.085 3.090 -11.194 1.00 0.00 C ATOM 1682 OE1 GLU B 109 11.957 2.827 -10.809 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.449 2.991 -12.356 1.00 0.00 O ATOM 0 H GLU B 109 15.398 4.788 -7.347 1.00 0.00 H new ATOM 0 HA GLU B 109 14.243 2.835 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.542 1.964 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU B 109 13.948 1.568 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.627 4.252 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU B 109 14.901 4.128 -10.652 1.00 0.00 H new ATOM 1690 N LYS B 110 16.724 2.070 -6.327 1.00 0.00 N ATOM 1691 CA LYS B 110 17.657 1.097 -5.690 1.00 0.00 C ATOM 1692 C LYS B 110 16.915 0.446 -4.510 1.00 0.00 C ATOM 1693 O LYS B 110 16.638 1.111 -3.531 1.00 0.00 O ATOM 1694 CB LYS B 110 18.902 1.827 -5.178 1.00 0.00 C ATOM 1695 CG LYS B 110 20.033 0.817 -4.940 1.00 0.00 C ATOM 1696 CD LYS B 110 20.048 0.385 -3.473 1.00 0.00 C ATOM 1697 CE LYS B 110 21.193 -0.603 -3.240 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.464 -0.015 -3.753 1.00 0.00 N ATOM 0 H LYS B 110 16.628 2.960 -5.839 1.00 0.00 H new ATOM 0 HA LYS B 110 17.972 0.342 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.218 2.578 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.671 2.354 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS B 110 19.896 -0.053 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS B 110 20.992 1.262 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.169 1.256 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.096 -0.077 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.285 -0.826 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS B 110 20.984 -1.545 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.273 -0.487 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.518 -0.149 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.489 1.001 -3.535 1.00 0.00 H new ATOM 1712 N PRO B 111 16.574 -0.815 -4.643 1.00 0.00 N ATOM 1713 CA PRO B 111 15.817 -1.527 -3.598 1.00 0.00 C ATOM 1714 C PRO B 111 16.645 -1.751 -2.341 1.00 0.00 C ATOM 1715 O PRO B 111 17.800 -2.124 -2.388 1.00 0.00 O ATOM 1716 CB PRO B 111 15.456 -2.877 -4.225 1.00 0.00 C ATOM 1717 CG PRO B 111 16.203 -2.982 -5.573 1.00 0.00 C ATOM 1718 CD PRO B 111 16.904 -1.635 -5.824 1.00 0.00 C ATOM 0 HA PRO B 111 14.946 -0.949 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.743 -3.695 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.379 -2.953 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.931 -3.793 -5.545 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.506 -3.207 -6.380 1.00 0.00 H new ATOM 0 HD2 PRO B 111 17.981 -1.763 -5.929 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.548 -1.168 -6.742 1.00 0.00 H new ATOM 1726 N PHE B 112 16.030 -1.556 -1.212 1.00 0.00 N ATOM 1727 CA PHE B 112 16.739 -1.788 0.082 1.00 0.00 C ATOM 1728 C PHE B 112 16.413 -3.196 0.581 1.00 0.00 C ATOM 1729 O PHE B 112 15.914 -3.372 1.675 1.00 0.00 O ATOM 1730 CB PHE B 112 17.069 -0.631 1.855 1.00 0.00 C ATOM 1731 CG PHE B 112 15.967 0.537 0.470 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.727 0.730 -0.143 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.914 1.564 0.482 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.431 1.958 -0.749 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.621 2.787 -0.123 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.381 2.990 -0.738 1.00 0.00 C ATOM 0 H PHE B 112 15.063 -1.245 -1.125 1.00 0.00 H new ATOM 0 HA PHE B 112 17.638 -1.408 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.589 -0.940 2.783 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.086 -0.330 2.107 1.00 0.00 H new ATOM 0 HD1 PHE B 112 13.997 -0.066 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.871 1.412 0.959 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.473 2.110 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.354 3.580 -0.116 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.156 3.938 -1.203 1.00 0.00 H new ATOM 1745 N LEU B 113 16.686 -4.198 -0.208 1.00 0.00 N ATOM 1746 CA LEU B 113 16.386 -5.594 0.232 1.00 0.00 C ATOM 1747 C LEU B 113 16.715 -5.731 1.717 1.00 0.00 C ATOM 1748 O LEU B 113 15.886 -6.107 2.521 1.00 0.00 O ATOM 1749 CB LEU B 113 17.249 -6.572 -0.570 1.00 0.00 C ATOM 1750 CG LEU B 113 16.531 -6.940 -1.873 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.263 -5.673 -2.660 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.404 -7.876 -2.707 1.00 0.00 C ATOM 0 H LEU B 113 17.102 -4.114 -1.135 1.00 0.00 H new ATOM 0 HA LEU B 113 15.332 -5.816 0.066 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.217 -6.122 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.441 -7.470 0.018 1.00 0.00 H new ATOM 0 HG LEU B 113 15.593 -7.444 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.752 -5.923 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.636 -5.004 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.208 -5.179 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.885 -8.131 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.345 -7.380 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.606 -8.785 -2.141 1.00 0.00 H new ATOM 1764 N GLY B 114 17.923 -5.409 2.081 1.00 0.00 N ATOM 1765 CA GLY B 114 18.333 -5.495 3.512 1.00 0.00 C ATOM 1766 C GLY B 114 19.107 -4.232 3.881 1.00 0.00 C ATOM 1767 O GLY B 114 19.993 -4.256 4.714 1.00 0.00 O ATOM 0 H GLY B 114 18.652 -5.087 1.444 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.455 -5.599 4.150 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.952 -6.377 3.675 1.00 0.00 H new ATOM 1771 N HIS B 115 18.785 -3.129 3.259 1.00 0.00 N ATOM 1772 CA HIS B 115 19.506 -1.853 3.558 1.00 0.00 C ATOM 1773 C HIS B 115 18.537 -0.832 4.162 1.00 0.00 C ATOM 1774 O HIS B 115 17.360 -1.094 4.320 1.00 0.00 O ATOM 1775 CB HIS B 115 20.103 -1.287 2.264 1.00 0.00 C ATOM 1776 CG HIS B 115 20.484 -2.416 1.346 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.287 -2.353 -0.024 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.046 -3.643 1.589 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.727 -3.511 -0.550 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.200 -4.333 0.388 1.00 0.00 N ATOM 0 H HIS B 115 18.052 -3.055 2.554 1.00 0.00 H new ATOM 0 HA HIS B 115 20.304 -2.054 4.273 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.381 -0.635 1.774 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.979 -0.679 2.491 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.326 -4.017 2.562 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.700 -3.746 -1.604 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.590 -5.266 0.255 1.00 0.00 H new ATOM 1788 N ARG B 116 19.026 0.329 4.499 1.00 0.00 N ATOM 1789 CA ARG B 116 18.147 1.382 5.092 1.00 0.00 C ATOM 1790 C ARG B 116 17.647 2.311 3.982 1.00 0.00 C ATOM 1791 O ARG B 116 18.355 2.593 3.034 1.00 0.00 O ATOM 1792 CB ARG B 116 18.953 2.196 6.114 1.00 0.00 C ATOM 1793 CG ARG B 116 18.233 3.515 6.421 1.00 0.00 C ATOM 1794 CD ARG B 116 18.841 4.150 7.675 1.00 0.00 C ATOM 1795 NE ARG B 116 18.006 5.310 8.098 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.151 5.818 9.290 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.029 5.312 10.111 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.420 6.833 9.661 1.00 0.00 N ATOM 0 H ARG B 116 20.004 0.598 4.389 1.00 0.00 H new ATOM 0 HA ARG B 116 17.295 0.914 5.586 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.080 1.620 7.031 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.950 2.399 5.724 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.324 4.196 5.575 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.169 3.334 6.572 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.895 3.415 8.478 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.861 4.477 7.472 1.00 0.00 H new ATOM 0 HE ARG B 116 17.321 5.707 7.455 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.602 4.519 9.820 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.143 5.709 11.044 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.734 7.230 9.018 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.534 7.230 10.594 1.00 0.00 H new ATOM 1812 N HIS B 117 16.437 2.798 4.097 1.00 0.00 N ATOM 1813 CA HIS B 117 15.898 3.722 3.053 1.00 0.00 C ATOM 1814 C HIS B 117 15.637 5.088 3.670 1.00 0.00 C ATOM 1815 O HIS B 117 15.693 5.268 4.870 1.00 0.00 O ATOM 1816 CB HIS B 117 14.589 3.181 2.487 1.00 0.00 C ATOM 1817 CG HIS B 117 13.734 2.668 3.610 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.826 1.367 4.079 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.759 3.272 4.368 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.934 1.231 5.079 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.257 2.364 5.295 1.00 0.00 N ATOM 0 H HIS B 117 15.800 2.596 4.868 1.00 0.00 H new ATOM 0 HA HIS B 117 16.631 3.804 2.250 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.063 3.966 1.944 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.791 2.381 1.775 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.432 4.296 4.260 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.784 0.319 5.638 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.529 2.527 5.990 1.00 0.00 H new ATOM 1829 N TYR B 118 15.366 6.054 2.843 1.00 0.00 N ATOM 1830 CA TYR B 118 15.116 7.429 3.341 1.00 0.00 C ATOM 1831 C TYR B 118 13.849 7.978 2.669 1.00 0.00 C ATOM 1832 O TYR B 118 13.625 7.774 1.493 1.00 0.00 O ATOM 1833 CB TYR B 118 16.343 8.266 2.997 1.00 0.00 C ATOM 1834 CG TYR B 118 17.571 7.484 3.418 1.00 0.00 C ATOM 1835 CD1 TYR B 118 17.940 6.324 2.717 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.322 7.890 4.527 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.050 5.580 3.126 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.428 7.137 4.934 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.790 5.984 4.236 1.00 0.00 C ATOM 1840 OH TYR B 118 20.880 5.245 4.649 1.00 0.00 O ATOM 0 H TYR B 118 15.307 5.947 1.830 1.00 0.00 H new ATOM 0 HA TYR B 118 14.956 7.451 4.419 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.373 8.478 1.928 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.307 9.226 3.512 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.365 6.006 1.860 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.048 8.784 5.068 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.335 4.692 2.582 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.005 7.449 5.792 1.00 0.00 H new ATOM 0 HH TYR B 118 20.994 4.472 4.057 1.00 0.00 H new ATOM 1850 N GLU B 119 13.002 8.641 3.417 1.00 0.00 N ATOM 1851 CA GLU B 119 11.726 9.162 2.835 1.00 0.00 C ATOM 1852 C GLU B 119 11.772 10.679 2.664 1.00 0.00 C ATOM 1853 O GLU B 119 12.392 11.388 3.430 1.00 0.00 O ATOM 1854 CB GLU B 119 10.569 8.804 3.774 1.00 0.00 C ATOM 1855 CG GLU B 119 10.116 7.369 3.506 1.00 0.00 C ATOM 1856 CD GLU B 119 9.151 6.923 4.606 1.00 0.00 C ATOM 1857 OE1 GLU B 119 7.964 7.160 4.457 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.615 6.350 5.578 1.00 0.00 O ATOM 0 H GLU B 119 13.139 8.844 4.407 1.00 0.00 H new ATOM 0 HA GLU B 119 11.585 8.708 1.854 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.884 8.909 4.812 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.738 9.493 3.622 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.629 7.306 2.533 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.979 6.704 3.474 1.00 0.00 H new ATOM 1865 N ARG B 120 11.098 11.177 1.661 1.00 0.00 N ATOM 1866 CA ARG B 120 11.074 12.653 1.430 1.00 0.00 C ATOM 1867 C ARG B 120 9.774 13.059 0.730 1.00 0.00 C ATOM 1868 O ARG B 120 9.393 12.503 -0.282 1.00 0.00 O ATOM 1869 CB ARG B 120 12.254 13.064 0.553 1.00 0.00 C ATOM 1870 CG ARG B 120 12.294 14.597 0.430 1.00 0.00 C ATOM 1871 CD ARG B 120 12.242 15.001 -1.047 1.00 0.00 C ATOM 1872 NE ARG B 120 11.101 14.317 -1.716 1.00 0.00 N ATOM 1873 CZ ARG B 120 10.700 14.718 -2.892 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.300 15.714 -3.480 1.00 0.00 N ATOM 1875 NH2 ARG B 120 9.698 14.118 -3.479 1.00 0.00 N ATOM 0 H ARG B 120 10.562 10.625 0.991 1.00 0.00 H new ATOM 0 HA ARG B 120 11.140 13.153 2.396 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.186 12.699 0.985 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.162 12.612 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.453 15.036 0.966 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.203 14.984 0.891 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.132 16.082 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.177 14.735 -1.540 1.00 0.00 H new ATOM 0 HE ARG B 120 10.633 13.536 -1.256 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.083 16.180 -3.022 1.00 0.00 H new ATOM 0 HH12 ARG B 120 10.987 16.027 -4.399 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.230 13.337 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.384 14.430 -4.398 1.00 0.00 H new ATOM 1889 N LYS B 121 9.099 14.038 1.265 1.00 0.00 N ATOM 1890 CA LYS B 121 7.830 14.517 0.654 1.00 0.00 C ATOM 1891 C LYS B 121 6.907 13.336 0.417 1.00 0.00 C ATOM 1892 O LYS B 121 6.014 13.388 -0.405 1.00 0.00 O ATOM 1893 CB LYS B 121 8.118 15.219 -0.673 1.00 0.00 C ATOM 1894 CG LYS B 121 8.859 16.533 -0.413 1.00 0.00 C ATOM 1895 CD LYS B 121 8.812 17.403 -1.670 1.00 0.00 C ATOM 1896 CE LYS B 121 9.507 18.735 -1.395 1.00 0.00 C ATOM 1897 NZ LYS B 121 8.654 19.565 -0.496 1.00 0.00 N ATOM 0 H LYS B 121 9.378 14.533 2.112 1.00 0.00 H new ATOM 0 HA LYS B 121 7.352 15.225 1.331 1.00 0.00 H new ATOM 0 HB2 LYS B 121 8.718 14.573 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.185 15.415 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.403 17.061 0.424 1.00 0.00 H new ATOM 0 HG3 LYS B 121 9.894 16.331 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.301 16.890 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS B 121 7.778 17.575 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.479 18.562 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS B 121 9.688 19.263 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 8.979 20.553 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 7.665 19.517 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 8.722 19.205 0.477 1.00 0.00 H new ATOM 1911 N GLY B 122 7.105 12.276 1.137 1.00 0.00 N ATOM 1912 CA GLY B 122 6.226 11.098 0.953 1.00 0.00 C ATOM 1913 C GLY B 122 6.767 10.221 -0.169 1.00 0.00 C ATOM 1914 O GLY B 122 6.030 9.560 -0.870 1.00 0.00 O ATOM 0 H GLY B 122 7.834 12.174 1.843 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.170 10.526 1.879 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.212 11.422 0.717 1.00 0.00 H new ATOM 1918 N LEU B 123 8.055 10.213 -0.340 1.00 0.00 N ATOM 1919 CA LEU B 123 8.669 9.379 -1.406 1.00 0.00 C ATOM 1920 C LEU B 123 9.990 8.820 -0.893 1.00 0.00 C ATOM 1921 O LEU B 123 10.714 9.475 -0.169 1.00 0.00 O ATOM 1922 CB LEU B 123 8.919 10.217 -2.660 1.00 0.00 C ATOM 1923 CG LEU B 123 7.640 10.324 -3.490 1.00 0.00 C ATOM 1924 CD1 LEU B 123 7.917 11.207 -4.708 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.199 8.926 -3.949 1.00 0.00 C ATOM 0 H LEU B 123 8.716 10.753 0.218 1.00 0.00 H new ATOM 0 HA LEU B 123 7.991 8.565 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.262 11.212 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU B 123 9.711 9.764 -3.256 1.00 0.00 H new ATOM 0 HG LEU B 123 6.844 10.763 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.012 11.292 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.226 12.198 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU B 123 8.711 10.761 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.287 9.008 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU B 123 7.986 8.477 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.011 8.299 -3.077 1.00 0.00 H new ATOM 1937 N ALA B 124 10.303 7.607 -1.245 1.00 0.00 N ATOM 1938 CA ALA B 124 11.567 7.002 -0.758 1.00 0.00 C ATOM 1939 C ALA B 124 12.761 7.560 -1.521 1.00 0.00 C ATOM 1940 O ALA B 124 12.659 7.954 -2.665 1.00 0.00 O ATOM 1941 CB ALA B 124 11.528 5.490 -0.968 1.00 0.00 C ATOM 0 H ALA B 124 9.738 7.010 -1.849 1.00 0.00 H new ATOM 0 HA ALA B 124 11.669 7.239 0.301 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.458 5.049 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.689 5.067 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.409 5.273 -2.030 1.00 0.00 H new ATOM 1947 N TYR B 125 13.901 7.565 -0.893 1.00 0.00 N ATOM 1948 CA TYR B 125 15.121 8.060 -1.568 1.00 0.00 C ATOM 1949 C TYR B 125 16.330 7.394 -0.935 1.00 0.00 C ATOM 1950 O TYR B 125 16.384 7.217 0.259 1.00 0.00 O ATOM 1951 CB TYR B 125 15.237 9.567 -1.388 1.00 0.00 C ATOM 1952 CG TYR B 125 14.267 10.244 -2.308 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.599 10.443 -3.651 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.037 10.670 -1.818 1.00 0.00 C ATOM 1955 CE1 TYR B 125 13.682 11.072 -4.504 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.129 11.296 -2.661 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.445 11.499 -4.007 1.00 0.00 C ATOM 1958 OH TYR B 125 11.541 12.122 -4.844 1.00 0.00 O ATOM 0 H TYR B 125 14.037 7.244 0.066 1.00 0.00 H new ATOM 0 HA TYR B 125 15.070 7.827 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.028 9.840 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.254 9.895 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.556 10.114 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR B 125 12.788 10.513 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR B 125 13.929 11.227 -5.544 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.176 11.627 -2.276 1.00 0.00 H new ATOM 0 HH TYR B 125 10.629 11.934 -4.539 1.00 0.00 H new ATOM 1968 N CYS B 126 17.302 7.019 -1.708 1.00 0.00 N ATOM 1969 CA CYS B 126 18.483 6.376 -1.089 1.00 0.00 C ATOM 1970 C CYS B 126 19.071 7.338 -0.052 1.00 0.00 C ATOM 1971 O CYS B 126 18.613 8.452 0.105 1.00 0.00 O ATOM 1972 CB CYS B 126 19.554 6.098 -2.142 1.00 0.00 C ATOM 1973 SG CYS B 126 18.989 4.818 -3.277 1.00 0.00 S ATOM 0 H CYS B 126 17.331 7.127 -2.722 1.00 0.00 H new ATOM 0 HA CYS B 126 18.176 5.436 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS B 126 19.778 7.011 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.478 5.783 -1.658 1.00 0.00 H new ATOM 0 HG CYS B 126 18.973 5.289 -4.489 1.00 0.00 H new ATOM 1978 N GLU B 127 20.092 6.922 0.637 1.00 0.00 N ATOM 1979 CA GLU B 127 20.730 7.819 1.648 1.00 0.00 C ATOM 1980 C GLU B 127 21.321 9.040 0.942 1.00 0.00 C ATOM 1981 O GLU B 127 21.332 10.137 1.469 1.00 0.00 O ATOM 1982 CB GLU B 127 21.874 7.074 2.343 1.00 0.00 C ATOM 1983 CG GLU B 127 22.386 7.902 3.525 1.00 0.00 C ATOM 1984 CD GLU B 127 23.231 7.014 4.441 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.720 6.003 3.969 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.376 7.364 5.601 1.00 0.00 O ATOM 0 H GLU B 127 20.517 5.999 0.547 1.00 0.00 H new ATOM 0 HA GLU B 127 19.979 8.125 2.376 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.529 6.101 2.691 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.684 6.891 1.637 1.00 0.00 H new ATOM 0 HG2 GLU B 127 22.981 8.741 3.165 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.547 8.321 4.080 1.00 0.00 H new ATOM 1993 N THR B 128 21.842 8.847 -0.238 1.00 0.00 N ATOM 1994 CA THR B 128 22.474 9.973 -0.985 1.00 0.00 C ATOM 1995 C THR B 128 21.444 10.745 -1.801 1.00 0.00 C ATOM 1996 O THR B 128 21.457 11.958 -1.823 1.00 0.00 O ATOM 1997 CB THR B 128 23.551 9.419 -1.922 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.587 8.827 -1.150 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.127 10.554 -2.769 1.00 0.00 C ATOM 0 H THR B 128 21.857 7.949 -0.722 1.00 0.00 H new ATOM 0 HA THR B 128 22.918 10.656 -0.261 1.00 0.00 H new ATOM 0 HB THR B 128 23.112 8.668 -2.579 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.277 8.470 -1.747 1.00 0.00 H new ATOM 0 HG21 THR B 128 24.893 10.158 -3.435 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.331 11.007 -3.360 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.568 11.307 -2.116 1.00 0.00 H new ATOM 2007 N HIS B 129 20.559 10.075 -2.478 1.00 0.00 N ATOM 2008 CA HIS B 129 19.564 10.814 -3.282 1.00 0.00 C ATOM 2009 C HIS B 129 18.661 11.574 -2.335 1.00 0.00 C ATOM 2010 O HIS B 129 18.382 12.738 -2.529 1.00 0.00 O ATOM 2011 CB HIS B 129 18.765 9.835 -4.140 1.00 0.00 C ATOM 2012 CG HIS B 129 19.719 9.153 -5.096 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.654 7.794 -5.418 1.00 0.00 N ATOM 2014 CD2 HIS B 129 20.787 9.646 -5.808 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.654 7.537 -6.283 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.371 8.628 -6.553 1.00 0.00 N ATOM 0 H HIS B 129 20.484 9.058 -2.507 1.00 0.00 H new ATOM 0 HA HIS B 129 20.056 11.518 -3.953 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.267 9.098 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS B 129 17.986 10.362 -4.692 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.123 10.672 -5.791 1.00 0.00 H new ATOM 0 HE1 HIS B 129 20.851 6.564 -6.707 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.177 8.700 -7.174 1.00 0.00 H new ATOM 2024 N TYR B 130 18.239 10.948 -1.279 1.00 0.00 N ATOM 2025 CA TYR B 130 17.400 11.658 -0.306 1.00 0.00 C ATOM 2026 C TYR B 130 18.115 12.937 0.053 1.00 0.00 C ATOM 2027 O TYR B 130 17.599 14.029 -0.079 1.00 0.00 O ATOM 2028 CB TYR B 130 17.288 10.806 0.948 1.00 0.00 C ATOM 2029 CG TYR B 130 16.671 11.616 2.057 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.642 12.519 1.774 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.128 11.469 3.371 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.074 13.267 2.798 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.555 12.222 4.399 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.525 13.123 4.112 1.00 0.00 C ATOM 2035 OH TYR B 130 14.956 13.868 5.127 1.00 0.00 O ATOM 0 H TYR B 130 18.443 9.974 -1.054 1.00 0.00 H new ATOM 0 HA TYR B 130 16.409 11.858 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.680 9.924 0.747 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.274 10.452 1.248 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.289 12.635 0.760 1.00 0.00 H new ATOM 0 HD2 TYR B 130 17.924 10.773 3.591 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.279 13.964 2.577 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.907 12.108 5.414 1.00 0.00 H new ATOM 0 HH TYR B 130 15.475 14.688 5.262 1.00 0.00 H new ATOM 2045 N ASN B 131 19.312 12.784 0.511 1.00 0.00 N ATOM 2046 CA ASN B 131 20.104 13.965 0.892 1.00 0.00 C ATOM 2047 C ASN B 131 20.373 14.806 -0.348 1.00 0.00 C ATOM 2048 O ASN B 131 20.215 16.011 -0.335 1.00 0.00 O ATOM 2049 CB ASN B 131 21.423 13.529 1.525 1.00 0.00 C ATOM 2050 CG ASN B 131 21.184 13.094 2.971 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.159 13.915 3.869 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.001 11.831 3.239 1.00 0.00 N ATOM 0 H ASN B 131 19.779 11.886 0.639 1.00 0.00 H new ATOM 0 HA ASN B 131 19.549 14.556 1.620 1.00 0.00 H new ATOM 0 HB2 ASN B 131 21.856 12.707 0.955 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.140 14.350 1.496 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.837 11.532 4.200 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.022 11.142 2.487 1.00 0.00 H new ATOM 2059 N GLN B 132 20.751 14.191 -1.437 1.00 0.00 N ATOM 2060 CA GLN B 132 20.988 14.996 -2.667 1.00 0.00 C ATOM 2061 C GLN B 132 19.721 15.794 -2.921 1.00 0.00 C ATOM 2062 O GLN B 132 19.742 16.918 -3.378 1.00 0.00 O ATOM 2063 CB GLN B 132 21.270 14.084 -3.867 1.00 0.00 C ATOM 2064 CG GLN B 132 21.983 14.882 -4.961 1.00 0.00 C ATOM 2065 CD GLN B 132 23.446 15.101 -4.568 1.00 0.00 C ATOM 2066 OE1 GLN B 132 23.825 14.865 -3.439 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.290 15.543 -5.459 1.00 0.00 N ATOM 0 H GLN B 132 20.903 13.186 -1.527 1.00 0.00 H new ATOM 0 HA GLN B 132 21.852 15.647 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN B 132 21.886 13.240 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.337 13.673 -4.252 1.00 0.00 H new ATOM 0 HG2 GLN B 132 21.927 14.348 -5.909 1.00 0.00 H new ATOM 0 HG3 GLN B 132 21.488 15.842 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN B 132 23.973 15.742 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.267 15.690 -5.207 1.00 0.00 H new ATOM 2076 N LEU B 133 18.610 15.199 -2.600 1.00 0.00 N ATOM 2077 CA LEU B 133 17.303 15.879 -2.776 1.00 0.00 C ATOM 2078 C LEU B 133 17.086 16.867 -1.628 1.00 0.00 C ATOM 2079 O LEU B 133 16.503 17.920 -1.804 1.00 0.00 O ATOM 2080 CB LEU B 133 16.182 14.828 -2.753 1.00 0.00 C ATOM 2081 CG LEU B 133 15.864 14.343 -4.177 1.00 0.00 C ATOM 2082 CD1 LEU B 133 16.709 13.117 -4.528 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.389 13.967 -4.258 1.00 0.00 C ATOM 0 H LEU B 133 18.553 14.255 -2.217 1.00 0.00 H new ATOM 0 HA LEU B 133 17.293 16.413 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.482 13.983 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.287 15.254 -2.300 1.00 0.00 H new ATOM 0 HG LEU B 133 16.092 15.144 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU B 133 16.470 12.788 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU B 133 17.766 13.375 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.493 12.313 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.156 13.622 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.177 13.171 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU B 133 13.778 14.838 -4.023 1.00 0.00 H new ATOM 2095 N PHE B 134 17.539 16.531 -0.455 1.00 0.00 N ATOM 2096 CA PHE B 134 17.347 17.442 0.707 1.00 0.00 C ATOM 2097 C PHE B 134 18.370 17.125 1.797 1.00 0.00 C ATOM 2098 O PHE B 134 19.386 17.779 1.923 1.00 0.00 O ATOM 2099 CB PHE B 134 15.932 17.240 1.270 1.00 0.00 C ATOM 2100 CG PHE B 134 14.963 18.124 0.527 1.00 0.00 C ATOM 2101 CD1 PHE B 134 14.792 19.461 0.914 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.239 17.608 -0.551 1.00 0.00 C ATOM 2103 CE1 PHE B 134 13.892 20.279 0.220 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.339 18.428 -1.248 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.168 19.762 -0.861 1.00 0.00 C ATOM 0 H PHE B 134 18.035 15.664 -0.249 1.00 0.00 H new ATOM 0 HA PHE B 134 17.480 18.474 0.382 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.636 16.196 1.172 1.00 0.00 H new ATOM 0 HB3 PHE B 134 15.915 17.478 2.334 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.354 19.859 1.746 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.372 16.578 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE B 134 13.756 21.308 0.518 1.00 0.00 H new ATOM 0 HE2 PHE B 134 12.779 18.031 -2.082 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.476 20.394 -1.398 1.00 0.00 H new ATOM 2115 N GLY B 135 18.100 16.131 2.589 1.00 0.00 N ATOM 2116 CA GLY B 135 19.041 15.761 3.685 1.00 0.00 C ATOM 2117 C GLY B 135 18.716 16.580 4.936 1.00 0.00 C ATOM 2118 O GLY B 135 19.582 16.904 5.722 1.00 0.00 O ATOM 0 H GLY B 135 17.262 15.552 2.527 1.00 0.00 H new ATOM 0 HA2 GLY B 135 18.960 14.696 3.904 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.069 15.946 3.374 1.00 0.00 H new ATOM 2122 N ASP B 136 17.470 16.917 5.123 1.00 0.00 N ATOM 2123 CA ASP B 136 17.086 17.713 6.320 1.00 0.00 C ATOM 2124 C ASP B 136 18.029 18.911 6.463 1.00 0.00 C ATOM 2125 O ASP B 136 18.592 19.146 7.511 1.00 0.00 O ATOM 2126 CB ASP B 136 17.183 16.836 7.570 1.00 0.00 C ATOM 2127 CG ASP B 136 16.022 15.840 7.586 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.365 15.711 6.566 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.812 15.223 8.617 1.00 0.00 O ATOM 0 H ASP B 136 16.701 16.675 4.498 1.00 0.00 H new ATOM 0 HA ASP B 136 16.062 18.069 6.204 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.134 16.303 7.580 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.156 17.457 8.466 1.00 0.00 H new ATOM 2134 N VAL B 137 18.200 19.669 5.415 1.00 0.00 N ATOM 2135 CA VAL B 137 19.107 20.851 5.492 1.00 0.00 C ATOM 2136 C VAL B 137 18.804 21.802 4.332 1.00 0.00 C ATOM 2137 O VAL B 137 19.230 21.605 4.265 1.00 0.00 O ATOM 2138 CB VAL B 137 20.559 20.384 5.403 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.815 19.761 4.030 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.492 21.582 5.598 1.00 0.00 C ATOM 0 H VAL B 137 17.752 19.522 4.510 1.00 0.00 H new ATOM 0 HA VAL B 137 18.950 21.370 6.437 1.00 0.00 H new ATOM 0 HB VAL B 137 20.748 19.642 6.179 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.851 19.429 3.969 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.151 18.908 3.888 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.625 20.502 3.253 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.528 21.250 5.535 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.300 22.323 4.822 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.313 22.027 6.577 1.00 0.00 H new