USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 ASN :FLIP amide:sc= 0.396 F(o=0,f=0.73) USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0.332 K(o=0.73,f=0) USER MOD Set 2.1: A 72 CYS SG : rot 99:sc= 0.968 USER MOD Set 2.2: A 90 CYS SG : rot 33:sc= -0.239 USER MOD Set 3.1: A 62 CYS SG : rot 180:sc= 1.18 USER MOD Set 3.2: A 76 CYS SG : rot -58:sc= 0.586 USER MOD Set 4.1: A 44 ASN : amide:sc= 0.976 K(o=2.8,f=1.8) USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0.162 USER MOD Set 4.3: A 57 ASN : amide:sc= 1.66 K(o=2.8,f=-4.2!) USER MOD Set 5.1: A 43 THR OG1 : rot -133:sc= 0.683 USER MOD Set 5.2: A 49 LYS NZ :NH3+ 173:sc= 0.766 (180deg=0) USER MOD Set 6.1: A 42 ASN : amide:sc= 0.846 K(o=2.7,f=1.2) USER MOD Set 6.2: A 55 GLN : amide:sc= 1.89 K(o=2.7,f=-0.87) USER MOD Set 7.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 40 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.978) USER MOD Set 8.1: A 28 CYS SG : rot -141:sc= 0.603 USER MOD Set 8.2: A 32 HIS : no HD1:sc= 0 X(o=0.49,f=0.46) USER MOD Set 8.3: A 110 CYS SG : rot -66:sc= -0.115 USER MOD Set 9.1: A 7 CYS SG : rot 180:sc= 0.577 USER MOD Set 9.2: A 119 SER OG : rot 180:sc= 0.0115 USER MOD Set 9.3: A 120 CYS SG : rot -57:sc= 0.352 USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0.806 (180deg=0.746) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 1.08 (180deg=1.06) USER MOD Single : A 16 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-1.5) USER MOD Single : A 21 ASN : amide:sc= 0.00544 K(o=0.0054,f=-2.1!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.131 (180deg=-3.64!) USER MOD Single : A 25 ASN : amide:sc= 0.0345 K(o=0.035,f=-0.73) USER MOD Single : A 34 SER OG : rot -123:sc= 1.09 USER MOD Single : A 38 THR OG1 : rot 169:sc= 1.19 USER MOD Single : A 39 SER OG : rot 180:sc= -0.474 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 46 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.028) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -145:sc= 0.477 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.15) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 0.383 (180deg=0.143) USER MOD Single : A 73 ASN : amide:sc= -0.0307 K(o=-0.031,f=-0.8) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.97) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= 0.966 (180deg=0.708) USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0.87 (180deg=0.839) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0.957 (180deg=0.839) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.056) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 1.74 (180deg=1.72) USER MOD Single : A 111 GLN : amide:sc= 1.51 K(o=1.5,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.253 -7.635 10.150 1.00 0.00 N ATOM 2 CA GLY A 1 -7.865 -7.465 8.740 1.00 0.00 C ATOM 3 C GLY A 1 -8.557 -8.469 7.835 1.00 0.00 C ATOM 4 O GLY A 1 -9.175 -9.430 8.300 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.661 -7.025 10.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.252 -7.372 10.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.120 -8.628 10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.112 -6.454 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.785 -7.576 8.645 1.00 0.00 H new ATOM 10 N LYS A 2 -8.451 -8.248 6.524 1.00 0.00 N ATOM 11 CA LYS A 2 -9.172 -8.971 5.468 1.00 0.00 C ATOM 12 C LYS A 2 -8.450 -8.905 4.106 1.00 0.00 C ATOM 13 O LYS A 2 -7.622 -8.016 3.872 1.00 0.00 O ATOM 14 CB LYS A 2 -10.610 -8.416 5.372 1.00 0.00 C ATOM 15 CG LYS A 2 -10.669 -6.954 4.889 1.00 0.00 C ATOM 16 CD LYS A 2 -12.097 -6.402 4.786 1.00 0.00 C ATOM 17 CE LYS A 2 -12.890 -7.069 3.652 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.250 -6.483 3.517 1.00 0.00 N ATOM 0 H LYS A 2 -7.833 -7.528 6.149 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.205 -10.027 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.188 -9.040 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.086 -8.487 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.095 -6.330 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.189 -6.882 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.615 -6.558 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.059 -5.326 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.349 -6.955 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.972 -8.139 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.757 -6.957 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.774 -6.614 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.171 -5.467 3.309 1.00 0.00 H new ATOM 32 N THR A 3 -8.828 -9.804 3.189 1.00 0.00 N ATOM 33 CA THR A 3 -8.284 -9.888 1.823 1.00 0.00 C ATOM 34 C THR A 3 -9.318 -9.423 0.804 1.00 0.00 C ATOM 35 O THR A 3 -10.477 -9.836 0.852 1.00 0.00 O ATOM 36 CB THR A 3 -7.792 -11.304 1.500 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.044 -11.804 2.587 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.872 -11.288 0.278 1.00 0.00 C ATOM 0 H THR A 3 -9.538 -10.512 3.378 1.00 0.00 H new ATOM 0 HA THR A 3 -7.423 -9.223 1.766 1.00 0.00 H new ATOM 0 HB THR A 3 -8.664 -11.928 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.732 -12.710 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.533 -12.302 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.416 -10.899 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.010 -10.652 0.480 1.00 0.00 H new ATOM 46 N PHE A 4 -8.883 -8.567 -0.120 1.00 0.00 N ATOM 47 CA PHE A 4 -9.676 -8.012 -1.218 1.00 0.00 C ATOM 48 C PHE A 4 -9.412 -8.779 -2.523 1.00 0.00 C ATOM 49 O PHE A 4 -8.344 -9.365 -2.721 1.00 0.00 O ATOM 50 CB PHE A 4 -9.341 -6.512 -1.380 1.00 0.00 C ATOM 51 CG PHE A 4 -9.814 -5.630 -0.232 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.129 -5.632 1.001 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.953 -4.814 -0.386 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.608 -4.868 2.079 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.431 -4.049 0.694 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.766 -4.085 1.931 1.00 0.00 C ATOM 0 H PHE A 4 -7.922 -8.225 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.736 -8.117 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.261 -6.403 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.788 -6.151 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.233 -6.223 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.462 -4.776 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.085 -4.883 3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.310 -3.434 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.143 -3.513 2.766 1.00 0.00 H new ATOM 66 N THR A 5 -10.385 -8.733 -3.438 1.00 0.00 N ATOM 67 CA THR A 5 -10.246 -9.181 -4.838 1.00 0.00 C ATOM 68 C THR A 5 -9.871 -7.977 -5.698 1.00 0.00 C ATOM 69 O THR A 5 -10.075 -6.846 -5.260 1.00 0.00 O ATOM 70 CB THR A 5 -11.509 -9.909 -5.315 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.210 -10.489 -6.564 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.737 -9.010 -5.480 1.00 0.00 C ATOM 0 H THR A 5 -11.316 -8.375 -3.226 1.00 0.00 H new ATOM 0 HA THR A 5 -9.446 -9.916 -4.926 1.00 0.00 H new ATOM 0 HB THR A 5 -11.771 -10.639 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.997 -10.966 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.583 -9.608 -5.820 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.981 -8.548 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.523 -8.233 -6.214 1.00 0.00 H new ATOM 80 N ARG A 6 -9.330 -8.176 -6.904 1.00 0.00 N ATOM 81 CA ARG A 6 -8.853 -7.065 -7.747 1.00 0.00 C ATOM 82 C ARG A 6 -9.960 -6.037 -8.018 1.00 0.00 C ATOM 83 O ARG A 6 -9.753 -4.844 -7.799 1.00 0.00 O ATOM 84 CB ARG A 6 -8.234 -7.603 -9.047 1.00 0.00 C ATOM 85 CG ARG A 6 -7.503 -6.489 -9.820 1.00 0.00 C ATOM 86 CD ARG A 6 -6.782 -7.022 -11.062 1.00 0.00 C ATOM 87 NE ARG A 6 -5.673 -7.923 -10.699 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.290 -9.032 -11.315 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.925 -9.518 -12.364 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.231 -9.668 -10.874 1.00 0.00 N ATOM 0 H ARG A 6 -9.209 -9.098 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.072 -6.537 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.535 -8.406 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.015 -8.032 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.221 -5.725 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.780 -6.007 -9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.492 -7.554 -11.695 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.397 -6.187 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.135 -7.661 -9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.746 -9.037 -12.732 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.595 -10.375 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.718 -9.307 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.921 -10.523 -11.335 1.00 0.00 H new ATOM 104 N CYS A 7 -11.165 -6.482 -8.390 1.00 0.00 N ATOM 105 CA CYS A 7 -12.324 -5.599 -8.609 1.00 0.00 C ATOM 106 C CYS A 7 -12.718 -4.809 -7.350 1.00 0.00 C ATOM 107 O CYS A 7 -13.017 -3.619 -7.439 1.00 0.00 O ATOM 108 CB CYS A 7 -13.510 -6.424 -9.125 1.00 0.00 C ATOM 109 SG CYS A 7 -13.188 -7.357 -10.646 1.00 0.00 S ATOM 0 H CYS A 7 -11.368 -7.469 -8.549 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.036 -4.860 -9.357 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.814 -7.122 -8.345 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.352 -5.754 -9.299 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.256 -8.015 -10.986 1.00 0.00 H new ATOM 114 N GLY A 8 -12.627 -5.437 -6.172 1.00 0.00 N ATOM 115 CA GLY A 8 -12.882 -4.799 -4.877 1.00 0.00 C ATOM 116 C GLY A 8 -11.810 -3.769 -4.537 1.00 0.00 C ATOM 117 O GLY A 8 -12.143 -2.648 -4.170 1.00 0.00 O ATOM 0 H GLY A 8 -12.369 -6.421 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.859 -4.316 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.917 -5.559 -4.097 1.00 0.00 H new ATOM 121 N LEU A 9 -10.530 -4.107 -4.724 1.00 0.00 N ATOM 122 CA LEU A 9 -9.389 -3.216 -4.527 1.00 0.00 C ATOM 123 C LEU A 9 -9.431 -2.014 -5.477 1.00 0.00 C ATOM 124 O LEU A 9 -9.344 -0.890 -4.994 1.00 0.00 O ATOM 125 CB LEU A 9 -8.106 -4.056 -4.678 1.00 0.00 C ATOM 126 CG LEU A 9 -6.826 -3.245 -4.423 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.811 -2.669 -3.002 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.596 -4.126 -4.657 1.00 0.00 C ATOM 0 H LEU A 9 -10.254 -5.041 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.417 -2.782 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.143 -4.895 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.069 -4.476 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.803 -2.409 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.894 -2.100 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.671 -2.014 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.857 -3.483 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.692 -3.545 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.624 -4.977 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.595 -4.484 -5.687 1.00 0.00 H new ATOM 140 N VAL A 10 -9.636 -2.226 -6.780 1.00 0.00 N ATOM 141 CA VAL A 10 -9.817 -1.142 -7.771 1.00 0.00 C ATOM 142 C VAL A 10 -10.884 -0.145 -7.288 1.00 0.00 C ATOM 143 O VAL A 10 -10.661 1.062 -7.298 1.00 0.00 O ATOM 144 CB VAL A 10 -10.195 -1.708 -9.164 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.715 -0.628 -10.125 1.00 0.00 C ATOM 146 CG2 VAL A 10 -8.995 -2.395 -9.836 1.00 0.00 C ATOM 0 H VAL A 10 -9.683 -3.160 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.866 -0.618 -7.870 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.990 -2.428 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.964 -1.083 -11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.606 -0.163 -9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.945 0.130 -10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.295 -2.780 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.188 -1.674 -9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.650 -3.219 -9.211 1.00 0.00 H new ATOM 156 N HIS A 11 -12.018 -0.646 -6.793 1.00 0.00 N ATOM 157 CA HIS A 11 -13.110 0.178 -6.256 1.00 0.00 C ATOM 158 C HIS A 11 -12.752 0.881 -4.932 1.00 0.00 C ATOM 159 O HIS A 11 -13.074 2.055 -4.752 1.00 0.00 O ATOM 160 CB HIS A 11 -14.361 -0.694 -6.064 1.00 0.00 C ATOM 161 CG HIS A 11 -15.047 -1.156 -7.327 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.273 -1.825 -7.345 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.624 -0.974 -8.616 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.552 -2.039 -8.641 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.583 -1.540 -9.426 1.00 0.00 N ATOM 0 H HIS A 11 -12.209 -1.647 -6.752 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.300 0.968 -6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.081 -1.573 -5.484 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.081 -0.135 -5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.717 -0.483 -8.935 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.436 -2.544 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.561 -1.574 -10.445 1.00 0.00 H new ATOM 173 N GLU A 12 -12.071 0.191 -4.017 1.00 0.00 N ATOM 174 CA GLU A 12 -11.665 0.716 -2.711 1.00 0.00 C ATOM 175 C GLU A 12 -10.690 1.889 -2.869 1.00 0.00 C ATOM 176 O GLU A 12 -10.854 2.930 -2.239 1.00 0.00 O ATOM 177 CB GLU A 12 -11.074 -0.431 -1.866 1.00 0.00 C ATOM 178 CG GLU A 12 -11.332 -0.305 -0.362 1.00 0.00 C ATOM 179 CD GLU A 12 -12.826 -0.193 -0.007 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.669 -0.899 -0.611 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.187 0.635 0.858 1.00 0.00 O ATOM 0 H GLU A 12 -11.778 -0.775 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.535 1.111 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.490 -1.376 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.998 -0.474 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.909 -1.172 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.809 0.573 0.017 1.00 0.00 H new ATOM 188 N LEU A 13 -9.739 1.773 -3.795 1.00 0.00 N ATOM 189 CA LEU A 13 -8.778 2.827 -4.122 1.00 0.00 C ATOM 190 C LEU A 13 -9.428 3.984 -4.893 1.00 0.00 C ATOM 191 O LEU A 13 -9.137 5.145 -4.611 1.00 0.00 O ATOM 192 CB LEU A 13 -7.638 2.192 -4.923 1.00 0.00 C ATOM 193 CG LEU A 13 -6.886 1.075 -4.187 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.905 0.427 -5.162 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.139 1.568 -2.946 1.00 0.00 C ATOM 0 H LEU A 13 -9.612 0.927 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.393 3.265 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.044 1.789 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.927 2.971 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.623 0.354 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.361 -0.370 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.453 0.011 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.199 1.177 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.628 0.730 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.407 2.321 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.849 2.005 -2.244 1.00 0.00 H new ATOM 207 N ARG A 14 -10.356 3.690 -5.812 1.00 0.00 N ATOM 208 CA ARG A 14 -11.162 4.723 -6.494 1.00 0.00 C ATOM 209 C ARG A 14 -11.961 5.583 -5.497 1.00 0.00 C ATOM 210 O ARG A 14 -12.015 6.805 -5.650 1.00 0.00 O ATOM 211 CB ARG A 14 -12.114 4.094 -7.524 1.00 0.00 C ATOM 212 CG ARG A 14 -11.433 3.727 -8.852 1.00 0.00 C ATOM 213 CD ARG A 14 -12.374 2.852 -9.688 1.00 0.00 C ATOM 214 NE ARG A 14 -11.820 2.536 -11.015 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.370 1.701 -11.895 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.542 1.144 -11.690 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.747 1.391 -13.009 1.00 0.00 N ATOM 0 H ARG A 14 -10.572 2.737 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.460 5.375 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.559 3.197 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.929 4.789 -7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.176 4.632 -9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.501 3.196 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.575 1.925 -9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.329 3.364 -9.809 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.947 2.992 -11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.060 1.347 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.934 0.509 -12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.830 1.791 -13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.180 0.750 -13.674 1.00 0.00 H new ATOM 231 N LYS A 15 -12.531 4.982 -4.444 1.00 0.00 N ATOM 232 CA LYS A 15 -13.181 5.712 -3.339 1.00 0.00 C ATOM 233 C LYS A 15 -12.171 6.497 -2.478 1.00 0.00 C ATOM 234 O LYS A 15 -12.464 7.614 -2.044 1.00 0.00 O ATOM 235 CB LYS A 15 -13.966 4.724 -2.456 1.00 0.00 C ATOM 236 CG LYS A 15 -15.226 4.159 -3.138 1.00 0.00 C ATOM 237 CD LYS A 15 -15.969 3.141 -2.253 1.00 0.00 C ATOM 238 CE LYS A 15 -15.100 1.908 -1.962 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.790 0.903 -1.117 1.00 0.00 N ATOM 0 H LYS A 15 -12.556 3.969 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.861 6.439 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.311 3.898 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.256 5.225 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.899 4.979 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.944 3.682 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.256 3.615 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.889 2.830 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.808 1.444 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.183 2.225 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.130 0.134 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.121 1.355 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.604 0.514 -1.635 1.00 0.00 H new ATOM 253 N HIS A 16 -10.973 5.948 -2.263 1.00 0.00 N ATOM 254 CA HIS A 16 -9.944 6.519 -1.381 1.00 0.00 C ATOM 255 C HIS A 16 -9.045 7.592 -2.041 1.00 0.00 C ATOM 256 O HIS A 16 -8.249 8.227 -1.341 1.00 0.00 O ATOM 257 CB HIS A 16 -9.139 5.367 -0.748 1.00 0.00 C ATOM 258 CG HIS A 16 -9.937 4.508 0.211 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.292 4.649 0.543 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.428 3.458 0.913 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.556 3.658 1.410 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.459 2.931 1.659 1.00 0.00 N ATOM 0 H HIS A 16 -10.682 5.076 -2.705 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.456 7.080 -0.600 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.744 4.734 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.283 5.785 -0.218 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.408 3.105 0.889 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.525 3.472 1.849 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.398 2.131 2.288 1.00 0.00 H new ATOM 270 N GLY A 17 -9.202 7.853 -3.346 1.00 0.00 N ATOM 271 CA GLY A 17 -8.559 8.971 -4.059 1.00 0.00 C ATOM 272 C GLY A 17 -7.343 8.578 -4.898 1.00 0.00 C ATOM 273 O GLY A 17 -6.378 9.341 -4.970 1.00 0.00 O ATOM 0 H GLY A 17 -9.792 7.282 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.296 9.441 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.253 9.721 -3.330 1.00 0.00 H new ATOM 277 N PHE A 18 -7.372 7.399 -5.523 1.00 0.00 N ATOM 278 CA PHE A 18 -6.346 6.906 -6.448 1.00 0.00 C ATOM 279 C PHE A 18 -6.848 7.068 -7.894 1.00 0.00 C ATOM 280 O PHE A 18 -8.020 6.810 -8.180 1.00 0.00 O ATOM 281 CB PHE A 18 -6.040 5.441 -6.122 1.00 0.00 C ATOM 282 CG PHE A 18 -5.340 5.192 -4.792 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.980 5.461 -3.568 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.035 4.667 -4.778 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.310 5.253 -2.354 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.368 4.435 -3.563 1.00 0.00 C ATOM 287 CZ PHE A 18 -4.004 4.733 -2.349 1.00 0.00 C ATOM 0 H PHE A 18 -8.137 6.737 -5.395 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.426 7.480 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.977 4.883 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.420 5.032 -6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.995 5.830 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.540 4.440 -5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.798 5.493 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.368 4.028 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.492 4.564 -1.413 1.00 0.00 H new ATOM 297 N GLU A 19 -5.978 7.510 -8.808 1.00 0.00 N ATOM 298 CA GLU A 19 -6.366 7.837 -10.188 1.00 0.00 C ATOM 299 C GLU A 19 -6.587 6.578 -11.033 1.00 0.00 C ATOM 300 O GLU A 19 -5.807 5.626 -10.963 1.00 0.00 O ATOM 301 CB GLU A 19 -5.324 8.731 -10.878 1.00 0.00 C ATOM 302 CG GLU A 19 -4.981 9.988 -10.080 1.00 0.00 C ATOM 303 CD GLU A 19 -4.257 11.030 -10.948 1.00 0.00 C ATOM 304 OE1 GLU A 19 -3.006 11.011 -11.012 1.00 0.00 O ATOM 305 OE2 GLU A 19 -4.936 11.897 -11.548 1.00 0.00 O ATOM 0 H GLU A 19 -4.987 7.652 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.307 8.382 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.414 8.155 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.699 9.023 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.895 10.423 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.352 9.720 -9.231 1.00 0.00 H new ATOM 312 N GLU A 20 -7.614 6.587 -11.883 1.00 0.00 N ATOM 313 CA GLU A 20 -7.971 5.462 -12.752 1.00 0.00 C ATOM 314 C GLU A 20 -6.883 5.111 -13.787 1.00 0.00 C ATOM 315 O GLU A 20 -6.798 3.958 -14.213 1.00 0.00 O ATOM 316 CB GLU A 20 -9.341 5.684 -13.415 1.00 0.00 C ATOM 317 CG GLU A 20 -9.464 6.933 -14.299 1.00 0.00 C ATOM 318 CD GLU A 20 -9.965 8.164 -13.524 1.00 0.00 C ATOM 319 OE1 GLU A 20 -9.188 8.732 -12.721 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.136 8.568 -13.714 1.00 0.00 O ATOM 0 H GLU A 20 -8.233 7.390 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.045 4.590 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.576 4.809 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.097 5.741 -12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.493 7.157 -14.740 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.148 6.724 -15.122 1.00 0.00 H new ATOM 327 N ASN A 21 -6.005 6.058 -14.144 1.00 0.00 N ATOM 328 CA ASN A 21 -4.853 5.817 -15.017 1.00 0.00 C ATOM 329 C ASN A 21 -3.615 5.272 -14.272 1.00 0.00 C ATOM 330 O ASN A 21 -2.728 4.700 -14.911 1.00 0.00 O ATOM 331 CB ASN A 21 -4.523 7.089 -15.817 1.00 0.00 C ATOM 332 CG ASN A 21 -3.852 8.190 -14.996 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.166 8.408 -13.835 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.901 8.905 -15.568 1.00 0.00 N ATOM 0 H ASN A 21 -6.078 7.025 -13.829 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.138 5.025 -15.709 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.870 6.823 -16.648 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.444 7.483 -16.248 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.428 9.639 -15.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.639 8.723 -16.537 1.00 0.00 H new ATOM 341 N LEU A 22 -3.560 5.398 -12.936 1.00 0.00 N ATOM 342 CA LEU A 22 -2.527 4.786 -12.084 1.00 0.00 C ATOM 343 C LEU A 22 -2.993 3.474 -11.435 1.00 0.00 C ATOM 344 O LEU A 22 -2.168 2.723 -10.921 1.00 0.00 O ATOM 345 CB LEU A 22 -2.093 5.789 -11.000 1.00 0.00 C ATOM 346 CG LEU A 22 -1.498 7.121 -11.497 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.015 7.929 -10.284 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.341 6.936 -12.491 1.00 0.00 C ATOM 0 H LEU A 22 -4.245 5.938 -12.408 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.681 4.537 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.958 6.013 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.356 5.303 -10.361 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.285 7.650 -12.035 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.591 8.875 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.856 8.125 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.254 7.361 -9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.032 7.912 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.463 6.375 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.696 6.389 -13.364 1.00 0.00 H new ATOM 360 N MET A 23 -4.297 3.182 -11.458 1.00 0.00 N ATOM 361 CA MET A 23 -4.928 2.044 -10.773 1.00 0.00 C ATOM 362 C MET A 23 -4.245 0.703 -11.083 1.00 0.00 C ATOM 363 O MET A 23 -3.936 -0.047 -10.155 1.00 0.00 O ATOM 364 CB MET A 23 -6.425 2.048 -11.134 1.00 0.00 C ATOM 365 CG MET A 23 -7.307 1.240 -10.172 1.00 0.00 C ATOM 366 SD MET A 23 -7.228 1.758 -8.443 1.00 0.00 S ATOM 367 CE MET A 23 -7.710 3.491 -8.630 1.00 0.00 C ATOM 0 H MET A 23 -4.969 3.751 -11.973 1.00 0.00 H new ATOM 0 HA MET A 23 -4.810 2.159 -9.695 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.779 3.079 -11.155 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.545 1.649 -12.141 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.342 1.307 -10.509 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.019 0.191 -10.234 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.268 3.811 -7.750 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.817 4.107 -8.738 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.336 3.601 -9.516 1.00 0.00 H new ATOM 377 N ARG A 24 -3.906 0.437 -12.355 1.00 0.00 N ATOM 378 CA ARG A 24 -3.148 -0.755 -12.777 1.00 0.00 C ATOM 379 C ARG A 24 -1.817 -0.898 -12.022 1.00 0.00 C ATOM 380 O ARG A 24 -1.532 -1.951 -11.453 1.00 0.00 O ATOM 381 CB ARG A 24 -2.859 -0.711 -14.291 1.00 0.00 C ATOM 382 CG ARG A 24 -4.113 -0.600 -15.166 1.00 0.00 C ATOM 383 CD ARG A 24 -3.795 -0.710 -16.662 1.00 0.00 C ATOM 384 NE ARG A 24 -3.401 -2.079 -17.033 1.00 0.00 N ATOM 385 CZ ARG A 24 -2.906 -2.480 -18.197 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.678 -1.641 -19.187 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.631 -3.752 -18.381 1.00 0.00 N ATOM 0 H ARG A 24 -4.154 1.051 -13.131 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.772 -1.616 -12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.207 0.137 -14.501 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.312 -1.611 -14.572 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.817 -1.385 -14.888 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.605 0.353 -14.971 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.668 -0.412 -17.243 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.992 -0.018 -16.916 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.521 -2.797 -16.318 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.883 -0.648 -19.072 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.297 -1.984 -20.069 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.798 -4.424 -17.632 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.250 -4.068 -19.273 1.00 0.00 H new ATOM 401 N ASN A 25 -1.022 0.175 -11.975 1.00 0.00 N ATOM 402 CA ASN A 25 0.263 0.231 -11.268 1.00 0.00 C ATOM 403 C ASN A 25 0.070 0.004 -9.760 1.00 0.00 C ATOM 404 O ASN A 25 0.792 -0.792 -9.161 1.00 0.00 O ATOM 405 CB ASN A 25 0.954 1.582 -11.528 1.00 0.00 C ATOM 406 CG ASN A 25 1.043 1.942 -13.009 1.00 0.00 C ATOM 407 OD1 ASN A 25 0.093 2.442 -13.601 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.171 1.698 -13.652 1.00 0.00 N ATOM 0 H ASN A 25 -1.259 1.052 -12.439 1.00 0.00 H new ATOM 0 HA ASN A 25 0.900 -0.567 -11.649 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.410 2.367 -11.003 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.959 1.555 -11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.253 1.926 -14.643 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.960 1.282 -13.158 1.00 0.00 H new ATOM 415 N TRP A 26 -0.953 0.630 -9.164 1.00 0.00 N ATOM 416 CA TRP A 26 -1.273 0.509 -7.743 1.00 0.00 C ATOM 417 C TRP A 26 -1.739 -0.899 -7.355 1.00 0.00 C ATOM 418 O TRP A 26 -1.160 -1.483 -6.437 1.00 0.00 O ATOM 419 CB TRP A 26 -2.307 1.575 -7.357 1.00 0.00 C ATOM 420 CG TRP A 26 -1.745 2.944 -7.131 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.030 4.055 -7.847 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.838 3.378 -6.070 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.392 5.145 -7.288 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.674 4.793 -6.162 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.157 2.718 -5.024 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.077 5.522 -5.227 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.617 3.435 -4.093 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.725 4.835 -4.184 1.00 0.00 C ATOM 0 H TRP A 26 -1.591 1.245 -9.669 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.356 0.679 -7.178 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.060 1.632 -8.143 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.818 1.253 -6.450 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.661 4.085 -8.723 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.445 6.093 -7.661 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.231 1.644 -4.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.156 6.596 -5.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.131 2.907 -3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.304 5.381 -3.454 1.00 0.00 H new ATOM 439 N VAL A 27 -2.717 -1.485 -8.056 1.00 0.00 N ATOM 440 CA VAL A 27 -3.195 -2.839 -7.701 1.00 0.00 C ATOM 441 C VAL A 27 -2.116 -3.897 -7.921 1.00 0.00 C ATOM 442 O VAL A 27 -2.017 -4.828 -7.129 1.00 0.00 O ATOM 443 CB VAL A 27 -4.511 -3.280 -8.379 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.617 -2.250 -8.136 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.373 -3.589 -9.877 1.00 0.00 C ATOM 0 H VAL A 27 -3.188 -1.060 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.425 -2.758 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.784 -4.224 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.535 -2.580 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.790 -2.148 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.314 -1.287 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.341 -3.891 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.025 -2.699 -10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.655 -4.397 -10.017 1.00 0.00 H new ATOM 455 N CYS A 28 -1.254 -3.731 -8.932 1.00 0.00 N ATOM 456 CA CYS A 28 -0.152 -4.661 -9.182 1.00 0.00 C ATOM 457 C CYS A 28 0.944 -4.545 -8.112 1.00 0.00 C ATOM 458 O CYS A 28 1.378 -5.560 -7.572 1.00 0.00 O ATOM 459 CB CYS A 28 0.363 -4.436 -10.604 1.00 0.00 C ATOM 460 SG CYS A 28 1.292 -5.836 -11.282 1.00 0.00 S ATOM 0 H CYS A 28 -1.302 -2.955 -9.593 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.508 -5.688 -9.107 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.484 -4.225 -11.257 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.000 -3.552 -10.613 1.00 0.00 H new ATOM 0 HG CYS A 28 2.300 -5.394 -11.973 1.00 0.00 H new ATOM 465 N LEU A 29 1.302 -3.316 -7.709 1.00 0.00 N ATOM 466 CA LEU A 29 2.178 -3.039 -6.561 1.00 0.00 C ATOM 467 C LEU A 29 1.616 -3.693 -5.294 1.00 0.00 C ATOM 468 O LEU A 29 2.314 -4.471 -4.651 1.00 0.00 O ATOM 469 CB LEU A 29 2.351 -1.507 -6.454 1.00 0.00 C ATOM 470 CG LEU A 29 3.233 -0.957 -5.309 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.553 0.513 -5.625 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.563 -1.001 -3.926 1.00 0.00 C ATOM 0 H LEU A 29 0.984 -2.470 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 29 3.167 -3.477 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.766 -1.151 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.360 -1.065 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 29 4.118 -1.591 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.175 0.928 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.086 0.574 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.625 1.081 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.246 -0.598 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.651 -0.404 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.316 -2.032 -3.674 1.00 0.00 H new ATOM 484 N VAL A 30 0.348 -3.436 -4.972 1.00 0.00 N ATOM 485 CA VAL A 30 -0.327 -3.995 -3.787 1.00 0.00 C ATOM 486 C VAL A 30 -0.360 -5.530 -3.819 1.00 0.00 C ATOM 487 O VAL A 30 -0.082 -6.164 -2.802 1.00 0.00 O ATOM 488 CB VAL A 30 -1.746 -3.401 -3.648 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.631 -4.187 -2.673 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.666 -1.939 -3.175 1.00 0.00 C ATOM 0 H VAL A 30 -0.251 -2.827 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 30 0.251 -3.713 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.202 -3.462 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.615 -3.721 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.735 -5.214 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.173 -4.185 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.673 -1.531 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.165 -1.896 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.103 -1.352 -3.901 1.00 0.00 H new ATOM 500 N GLU A 31 -0.641 -6.138 -4.976 1.00 0.00 N ATOM 501 CA GLU A 31 -0.627 -7.598 -5.139 1.00 0.00 C ATOM 502 C GLU A 31 0.761 -8.207 -4.900 1.00 0.00 C ATOM 503 O GLU A 31 0.873 -9.242 -4.244 1.00 0.00 O ATOM 504 CB GLU A 31 -1.140 -7.986 -6.536 1.00 0.00 C ATOM 505 CG GLU A 31 -2.670 -7.923 -6.607 1.00 0.00 C ATOM 506 CD GLU A 31 -3.247 -8.066 -8.018 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.549 -8.500 -8.961 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.462 -7.812 -8.176 1.00 0.00 O ATOM 0 H GLU A 31 -0.885 -5.632 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.292 -8.006 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.712 -7.316 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.804 -8.993 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.083 -8.711 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.002 -6.973 -6.187 1.00 0.00 H new ATOM 515 N HIS A 32 1.827 -7.552 -5.358 1.00 0.00 N ATOM 516 CA HIS A 32 3.203 -8.017 -5.166 1.00 0.00 C ATOM 517 C HIS A 32 3.819 -7.642 -3.797 1.00 0.00 C ATOM 518 O HIS A 32 4.845 -8.213 -3.417 1.00 0.00 O ATOM 519 CB HIS A 32 4.034 -7.521 -6.352 1.00 0.00 C ATOM 520 CG HIS A 32 3.768 -8.302 -7.614 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.958 -9.678 -7.768 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.300 -7.790 -8.787 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.588 -9.958 -9.029 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.182 -8.843 -9.665 1.00 0.00 N ATOM 0 H HIS A 32 1.761 -6.676 -5.877 1.00 0.00 H new ATOM 0 HA HIS A 32 3.201 -9.107 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.816 -6.468 -6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.093 -7.590 -6.103 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.066 -6.755 -8.989 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.613 -10.943 -9.472 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.847 -8.788 -10.627 1.00 0.00 H new ATOM 532 N GLU A 33 3.192 -6.733 -3.040 1.00 0.00 N ATOM 533 CA GLU A 33 3.592 -6.368 -1.673 1.00 0.00 C ATOM 534 C GLU A 33 2.815 -7.168 -0.610 1.00 0.00 C ATOM 535 O GLU A 33 3.427 -7.899 0.169 1.00 0.00 O ATOM 536 CB GLU A 33 3.434 -4.852 -1.449 1.00 0.00 C ATOM 537 CG GLU A 33 4.500 -4.003 -2.165 1.00 0.00 C ATOM 538 CD GLU A 33 5.939 -4.242 -1.676 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.151 -4.584 -0.489 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.875 -4.063 -2.490 1.00 0.00 O ATOM 0 H GLU A 33 2.374 -6.219 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 33 4.645 -6.627 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.447 -4.544 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.477 -4.646 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.454 -4.210 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.255 -2.949 -2.034 1.00 0.00 H new ATOM 547 N SER A 34 1.483 -7.071 -0.555 1.00 0.00 N ATOM 548 CA SER A 34 0.662 -7.671 0.516 1.00 0.00 C ATOM 549 C SER A 34 -0.237 -8.823 0.051 1.00 0.00 C ATOM 550 O SER A 34 -0.860 -9.484 0.880 1.00 0.00 O ATOM 551 CB SER A 34 -0.247 -6.602 1.130 1.00 0.00 C ATOM 552 OG SER A 34 -1.192 -6.141 0.175 1.00 0.00 O ATOM 0 H SER A 34 0.935 -6.571 -1.255 1.00 0.00 H new ATOM 0 HA SER A 34 1.376 -8.075 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.767 -7.013 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.355 -5.766 1.487 1.00 0.00 H new ATOM 0 HG SER A 34 -1.104 -5.171 0.070 1.00 0.00 H new ATOM 558 N SER A 35 -0.345 -9.042 -1.260 1.00 0.00 N ATOM 559 CA SER A 35 -1.319 -9.941 -1.896 1.00 0.00 C ATOM 560 C SER A 35 -2.777 -9.453 -1.751 1.00 0.00 C ATOM 561 O SER A 35 -3.705 -10.264 -1.828 1.00 0.00 O ATOM 562 CB SER A 35 -1.195 -11.401 -1.417 1.00 0.00 C ATOM 563 OG SER A 35 0.147 -11.851 -1.236 1.00 0.00 O ATOM 0 H SER A 35 0.265 -8.583 -1.937 1.00 0.00 H new ATOM 0 HA SER A 35 -1.064 -9.916 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.731 -11.508 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.689 -12.051 -2.140 1.00 0.00 H new ATOM 0 HG SER A 35 0.141 -12.782 -0.931 1.00 0.00 H new ATOM 569 N ARG A 36 -2.993 -8.145 -1.517 1.00 0.00 N ATOM 570 CA ARG A 36 -4.306 -7.514 -1.293 1.00 0.00 C ATOM 571 C ARG A 36 -4.891 -7.862 0.089 1.00 0.00 C ATOM 572 O ARG A 36 -6.109 -7.867 0.259 1.00 0.00 O ATOM 573 CB ARG A 36 -5.324 -7.810 -2.418 1.00 0.00 C ATOM 574 CG ARG A 36 -4.754 -7.771 -3.845 1.00 0.00 C ATOM 575 CD ARG A 36 -5.862 -7.799 -4.908 1.00 0.00 C ATOM 576 NE ARG A 36 -6.541 -9.106 -4.914 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.521 -10.042 -5.854 1.00 0.00 C ATOM 578 NH1 ARG A 36 -5.958 -9.872 -7.030 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.095 -11.199 -5.607 1.00 0.00 N ATOM 0 H ARG A 36 -2.227 -7.473 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.119 -6.440 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.757 -8.795 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.137 -7.088 -2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.153 -6.870 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.088 -8.621 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.585 -7.008 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.435 -7.600 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.099 -9.319 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.507 -8.985 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.972 -10.627 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.544 -11.363 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.091 -11.932 -6.316 1.00 0.00 H new ATOM 593 N ASP A 37 -4.042 -8.145 1.080 1.00 0.00 N ATOM 594 CA ASP A 37 -4.433 -8.567 2.438 1.00 0.00 C ATOM 595 C ASP A 37 -3.936 -7.571 3.493 1.00 0.00 C ATOM 596 O ASP A 37 -2.726 -7.368 3.634 1.00 0.00 O ATOM 597 CB ASP A 37 -3.890 -9.981 2.722 1.00 0.00 C ATOM 598 CG ASP A 37 -4.138 -10.469 4.162 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.048 -9.950 4.849 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.389 -11.375 4.603 1.00 0.00 O ATOM 0 H ASP A 37 -3.031 -8.087 0.961 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.521 -8.588 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.351 -10.683 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.818 -9.994 2.524 1.00 0.00 H new ATOM 605 N THR A 38 -4.866 -6.952 4.238 1.00 0.00 N ATOM 606 CA THR A 38 -4.501 -5.964 5.269 1.00 0.00 C ATOM 607 C THR A 38 -3.785 -6.612 6.449 1.00 0.00 C ATOM 608 O THR A 38 -2.979 -5.952 7.093 1.00 0.00 O ATOM 609 CB THR A 38 -5.673 -5.129 5.801 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.663 -5.931 6.385 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.355 -4.281 4.738 1.00 0.00 C ATOM 0 H THR A 38 -5.869 -7.116 4.148 1.00 0.00 H new ATOM 0 HA THR A 38 -3.830 -5.282 4.748 1.00 0.00 H new ATOM 0 HB THR A 38 -5.214 -4.472 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.298 -5.365 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.173 -3.720 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.633 -3.587 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.749 -4.928 3.954 1.00 0.00 H new ATOM 619 N SER A 39 -4.010 -7.897 6.724 1.00 0.00 N ATOM 620 CA SER A 39 -3.384 -8.613 7.843 1.00 0.00 C ATOM 621 C SER A 39 -1.920 -9.025 7.577 1.00 0.00 C ATOM 622 O SER A 39 -1.251 -9.545 8.473 1.00 0.00 O ATOM 623 CB SER A 39 -4.208 -9.864 8.184 1.00 0.00 C ATOM 624 OG SER A 39 -5.515 -9.545 8.647 1.00 0.00 O ATOM 0 H SER A 39 -4.639 -8.479 6.171 1.00 0.00 H new ATOM 0 HA SER A 39 -3.367 -7.915 8.680 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.284 -10.498 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.687 -10.442 8.947 1.00 0.00 H new ATOM 0 HG SER A 39 -6.001 -10.372 8.849 1.00 0.00 H new ATOM 630 N LYS A 40 -1.399 -8.814 6.361 1.00 0.00 N ATOM 631 CA LYS A 40 -0.060 -9.256 5.965 1.00 0.00 C ATOM 632 C LYS A 40 1.057 -8.429 6.639 1.00 0.00 C ATOM 633 O LYS A 40 0.959 -7.202 6.765 1.00 0.00 O ATOM 634 CB LYS A 40 0.034 -9.209 4.428 1.00 0.00 C ATOM 635 CG LYS A 40 1.252 -9.956 3.849 1.00 0.00 C ATOM 636 CD LYS A 40 1.226 -11.488 4.008 1.00 0.00 C ATOM 637 CE LYS A 40 -0.031 -12.180 3.445 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.181 -12.015 1.975 1.00 0.00 N ATOM 0 H LYS A 40 -1.902 -8.327 5.619 1.00 0.00 H new ATOM 0 HA LYS A 40 0.093 -10.279 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.875 -9.637 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.075 -8.168 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.331 -9.719 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.153 -9.573 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.104 -11.904 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.312 -11.730 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.010 -13.243 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.913 -11.776 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.930 -12.649 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.435 -11.030 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.717 -12.251 1.506 1.00 0.00 H new ATOM 652 N THR A 41 2.164 -9.098 6.983 1.00 0.00 N ATOM 653 CA THR A 41 3.396 -8.504 7.528 1.00 0.00 C ATOM 654 C THR A 41 4.638 -9.226 7.033 1.00 0.00 C ATOM 655 O THR A 41 4.573 -10.379 6.609 1.00 0.00 O ATOM 656 CB THR A 41 3.428 -8.487 9.063 1.00 0.00 C ATOM 657 OG1 THR A 41 3.297 -9.792 9.579 1.00 0.00 O ATOM 658 CG2 THR A 41 2.398 -7.593 9.742 1.00 0.00 C ATOM 0 H THR A 41 2.231 -10.111 6.886 1.00 0.00 H new ATOM 0 HA THR A 41 3.394 -7.475 7.168 1.00 0.00 H new ATOM 0 HB THR A 41 4.402 -8.055 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.321 -9.761 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.514 -7.661 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.547 -6.561 9.425 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.395 -7.917 9.464 1.00 0.00 H new ATOM 666 N ASN A 42 5.777 -8.538 7.134 1.00 0.00 N ATOM 667 CA ASN A 42 7.104 -9.045 6.782 1.00 0.00 C ATOM 668 C ASN A 42 8.196 -8.396 7.657 1.00 0.00 C ATOM 669 O ASN A 42 8.211 -7.176 7.820 1.00 0.00 O ATOM 670 CB ASN A 42 7.374 -8.765 5.292 1.00 0.00 C ATOM 671 CG ASN A 42 6.673 -9.741 4.352 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.118 -10.867 4.158 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.583 -9.339 3.722 1.00 0.00 N ATOM 0 H ASN A 42 5.801 -7.577 7.476 1.00 0.00 H new ATOM 0 HA ASN A 42 7.131 -10.120 6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.051 -7.751 5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.448 -8.807 5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.109 -9.966 3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.216 -8.402 3.886 1.00 0.00 H new ATOM 680 N THR A 43 9.102 -9.200 8.229 1.00 0.00 N ATOM 681 CA THR A 43 10.207 -8.745 9.102 1.00 0.00 C ATOM 682 C THR A 43 11.450 -8.431 8.268 1.00 0.00 C ATOM 683 O THR A 43 11.694 -9.071 7.245 1.00 0.00 O ATOM 684 CB THR A 43 10.536 -9.811 10.156 1.00 0.00 C ATOM 685 OG1 THR A 43 9.339 -10.291 10.731 1.00 0.00 O ATOM 686 CG2 THR A 43 11.391 -9.263 11.302 1.00 0.00 C ATOM 0 H THR A 43 9.092 -10.211 8.098 1.00 0.00 H new ATOM 0 HA THR A 43 9.887 -7.837 9.613 1.00 0.00 H new ATOM 0 HB THR A 43 11.090 -10.595 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.430 -10.312 11.707 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.593 -10.060 12.018 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.333 -8.884 10.905 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.856 -8.454 11.800 1.00 0.00 H new ATOM 694 N ASN A 44 12.249 -7.465 8.719 1.00 0.00 N ATOM 695 CA ASN A 44 13.475 -6.992 8.062 1.00 0.00 C ATOM 696 C ASN A 44 14.725 -7.277 8.916 1.00 0.00 C ATOM 697 O ASN A 44 14.648 -7.399 10.141 1.00 0.00 O ATOM 698 CB ASN A 44 13.358 -5.482 7.790 1.00 0.00 C ATOM 699 CG ASN A 44 12.156 -5.124 6.922 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.249 -5.040 5.703 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.008 -4.900 7.533 1.00 0.00 N ATOM 0 H ASN A 44 12.055 -6.967 9.588 1.00 0.00 H new ATOM 0 HA ASN A 44 13.588 -7.532 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.284 -4.952 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.268 -5.135 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.181 -4.653 6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.948 -4.974 8.549 1.00 0.00 H new ATOM 708 N ARG A 45 15.902 -7.314 8.275 1.00 0.00 N ATOM 709 CA ARG A 45 17.201 -7.610 8.920 1.00 0.00 C ATOM 710 C ARG A 45 17.612 -6.578 9.986 1.00 0.00 C ATOM 711 O ARG A 45 18.348 -6.901 10.919 1.00 0.00 O ATOM 712 CB ARG A 45 18.311 -7.726 7.860 1.00 0.00 C ATOM 713 CG ARG A 45 17.999 -8.801 6.808 1.00 0.00 C ATOM 714 CD ARG A 45 19.182 -9.009 5.855 1.00 0.00 C ATOM 715 NE ARG A 45 18.881 -10.047 4.854 1.00 0.00 N ATOM 716 CZ ARG A 45 19.700 -10.487 3.904 1.00 0.00 C ATOM 717 NH1 ARG A 45 20.919 -10.010 3.757 1.00 0.00 N ATOM 718 NH2 ARG A 45 19.297 -11.430 3.079 1.00 0.00 N ATOM 0 H ARG A 45 15.985 -7.136 7.274 1.00 0.00 H new ATOM 0 HA ARG A 45 17.069 -8.561 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.441 -6.763 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.255 -7.963 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.761 -9.741 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.117 -8.509 6.238 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.417 -8.071 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.066 -9.295 6.425 1.00 0.00 H new ATOM 0 HE ARG A 45 17.953 -10.469 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.260 -9.281 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.522 -10.370 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.359 -11.821 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.923 -11.770 2.349 1.00 0.00 H new ATOM 732 N ASN A 46 17.098 -5.350 9.875 1.00 0.00 N ATOM 733 CA ASN A 46 17.286 -4.263 10.848 1.00 0.00 C ATOM 734 C ASN A 46 16.472 -4.444 12.156 1.00 0.00 C ATOM 735 O ASN A 46 16.729 -3.753 13.145 1.00 0.00 O ATOM 736 CB ASN A 46 16.935 -2.941 10.137 1.00 0.00 C ATOM 737 CG ASN A 46 17.202 -1.705 10.995 1.00 0.00 C ATOM 738 OD1 ASN A 46 16.287 -1.060 11.492 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.457 -1.330 11.177 1.00 0.00 N ATOM 0 H ASN A 46 16.521 -5.073 9.081 1.00 0.00 H new ATOM 0 HA ASN A 46 18.325 -4.265 11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.513 -2.867 9.216 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.883 -2.957 9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.666 -0.501 11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.216 -1.870 10.761 1.00 0.00 H new ATOM 746 N GLY A 47 15.495 -5.362 12.176 1.00 0.00 N ATOM 747 CA GLY A 47 14.563 -5.592 13.294 1.00 0.00 C ATOM 748 C GLY A 47 13.242 -4.823 13.175 1.00 0.00 C ATOM 749 O GLY A 47 12.372 -4.967 14.032 1.00 0.00 O ATOM 0 H GLY A 47 15.324 -5.987 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.346 -6.658 13.359 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.053 -5.309 14.226 1.00 0.00 H new ATOM 753 N SER A 48 13.070 -4.021 12.124 1.00 0.00 N ATOM 754 CA SER A 48 11.793 -3.398 11.760 1.00 0.00 C ATOM 755 C SER A 48 10.859 -4.398 11.052 1.00 0.00 C ATOM 756 O SER A 48 11.290 -5.425 10.516 1.00 0.00 O ATOM 757 CB SER A 48 12.049 -2.166 10.882 1.00 0.00 C ATOM 758 OG SER A 48 12.795 -2.494 9.715 1.00 0.00 O ATOM 0 H SER A 48 13.829 -3.780 11.487 1.00 0.00 H new ATOM 0 HA SER A 48 11.290 -3.082 12.674 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.097 -1.722 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.588 -1.414 11.459 1.00 0.00 H new ATOM 0 HG SER A 48 12.937 -1.686 9.180 1.00 0.00 H new ATOM 764 N LYS A 49 9.564 -4.093 11.012 1.00 0.00 N ATOM 765 CA LYS A 49 8.537 -4.908 10.352 1.00 0.00 C ATOM 766 C LYS A 49 7.643 -4.036 9.457 1.00 0.00 C ATOM 767 O LYS A 49 7.471 -2.834 9.682 1.00 0.00 O ATOM 768 CB LYS A 49 7.727 -5.686 11.410 1.00 0.00 C ATOM 769 CG LYS A 49 7.125 -7.017 10.931 1.00 0.00 C ATOM 770 CD LYS A 49 6.172 -7.576 12.001 1.00 0.00 C ATOM 771 CE LYS A 49 5.732 -9.021 11.725 1.00 0.00 C ATOM 772 NZ LYS A 49 6.786 -10.011 12.064 1.00 0.00 N ATOM 0 H LYS A 49 9.186 -3.252 11.448 1.00 0.00 H new ATOM 0 HA LYS A 49 9.017 -5.638 9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.374 -5.886 12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.918 -5.048 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.587 -6.867 9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.921 -7.734 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.662 -7.532 12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.289 -6.939 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.833 -9.240 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.468 -9.122 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.401 -10.973 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.591 -9.897 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.105 -9.857 13.042 1.00 0.00 H new ATOM 786 N ASP A 50 7.086 -4.670 8.434 1.00 0.00 N ATOM 787 CA ASP A 50 6.195 -4.088 7.438 1.00 0.00 C ATOM 788 C ASP A 50 4.743 -4.475 7.750 1.00 0.00 C ATOM 789 O ASP A 50 4.495 -5.595 8.193 1.00 0.00 O ATOM 790 CB ASP A 50 6.569 -4.626 6.049 1.00 0.00 C ATOM 791 CG ASP A 50 8.027 -4.404 5.598 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.756 -3.579 6.197 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.441 -5.081 4.629 1.00 0.00 O ATOM 0 H ASP A 50 7.253 -5.662 8.267 1.00 0.00 H new ATOM 0 HA ASP A 50 6.294 -3.003 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.365 -5.697 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.910 -4.163 5.314 1.00 0.00 H new ATOM 798 N TYR A 51 3.787 -3.574 7.507 1.00 0.00 N ATOM 799 CA TYR A 51 2.386 -3.708 7.935 1.00 0.00 C ATOM 800 C TYR A 51 1.377 -3.191 6.897 1.00 0.00 C ATOM 801 O TYR A 51 1.619 -2.198 6.207 1.00 0.00 O ATOM 802 CB TYR A 51 2.184 -2.920 9.239 1.00 0.00 C ATOM 803 CG TYR A 51 3.011 -3.368 10.427 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.290 -2.822 10.636 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.475 -4.269 11.365 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.031 -3.172 11.777 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.209 -4.623 12.512 1.00 0.00 C ATOM 808 CZ TYR A 51 4.490 -4.068 12.726 1.00 0.00 C ATOM 809 OH TYR A 51 5.195 -4.402 13.843 1.00 0.00 O ATOM 0 H TYR A 51 3.967 -2.710 6.996 1.00 0.00 H new ATOM 0 HA TYR A 51 2.199 -4.774 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.406 -1.871 9.043 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.131 -2.977 9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.704 -2.131 9.917 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.494 -4.692 11.204 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.016 -2.755 11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.794 -5.318 13.227 1.00 0.00 H new ATOM 0 HH TYR A 51 4.671 -5.028 14.385 1.00 0.00 H new ATOM 819 N GLY A 52 0.211 -3.837 6.810 1.00 0.00 N ATOM 820 CA GLY A 52 -0.923 -3.349 6.017 1.00 0.00 C ATOM 821 C GLY A 52 -0.774 -3.567 4.518 1.00 0.00 C ATOM 822 O GLY A 52 0.197 -4.150 4.036 1.00 0.00 O ATOM 0 H GLY A 52 0.025 -4.718 7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.831 -3.847 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.053 -2.284 6.207 1.00 0.00 H new ATOM 826 N LEU A 53 -1.736 -3.057 3.751 1.00 0.00 N ATOM 827 CA LEU A 53 -1.865 -3.381 2.327 1.00 0.00 C ATOM 828 C LEU A 53 -0.721 -2.904 1.422 1.00 0.00 C ATOM 829 O LEU A 53 -0.512 -3.466 0.348 1.00 0.00 O ATOM 830 CB LEU A 53 -3.206 -2.810 1.825 1.00 0.00 C ATOM 831 CG LEU A 53 -3.875 -3.768 0.833 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.743 -4.765 1.586 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.769 -3.031 -0.146 1.00 0.00 C ATOM 0 H LEU A 53 -2.446 -2.410 4.095 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.821 -4.468 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.870 -2.635 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.038 -1.845 1.347 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.077 -4.270 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.216 -5.444 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.124 -5.337 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.511 -4.230 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.224 -3.745 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.551 -2.504 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.175 -2.313 -0.712 1.00 0.00 H new ATOM 845 N PHE A 54 0.045 -1.914 1.874 1.00 0.00 N ATOM 846 CA PHE A 54 1.209 -1.375 1.167 1.00 0.00 C ATOM 847 C PHE A 54 2.528 -1.779 1.852 1.00 0.00 C ATOM 848 O PHE A 54 3.575 -1.251 1.495 1.00 0.00 O ATOM 849 CB PHE A 54 1.039 0.149 1.023 1.00 0.00 C ATOM 850 CG PHE A 54 -0.212 0.573 0.273 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.443 0.656 0.950 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.156 0.887 -1.099 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.611 1.029 0.268 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.323 1.283 -1.777 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.552 1.352 -1.098 1.00 0.00 C ATOM 0 H PHE A 54 -0.130 -1.451 2.766 1.00 0.00 H new ATOM 0 HA PHE A 54 1.267 -1.806 0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.021 0.596 2.017 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.911 0.552 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.489 0.430 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.782 0.824 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.554 1.068 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.275 1.536 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.446 1.652 -1.624 1.00 0.00 H new ATOM 865 N GLN A 55 2.481 -2.693 2.837 1.00 0.00 N ATOM 866 CA GLN A 55 3.635 -3.209 3.586 1.00 0.00 C ATOM 867 C GLN A 55 4.511 -2.065 4.136 1.00 0.00 C ATOM 868 O GLN A 55 5.700 -1.934 3.838 1.00 0.00 O ATOM 869 CB GLN A 55 4.410 -4.239 2.738 1.00 0.00 C ATOM 870 CG GLN A 55 3.632 -5.542 2.496 1.00 0.00 C ATOM 871 CD GLN A 55 3.284 -6.277 3.792 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.098 -6.962 4.394 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.073 -6.145 4.290 1.00 0.00 N ATOM 0 H GLN A 55 1.601 -3.108 3.144 1.00 0.00 H new ATOM 0 HA GLN A 55 3.278 -3.742 4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.661 -3.791 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.351 -4.474 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.713 -5.316 1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.224 -6.199 1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.380 -5.577 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.827 -6.610 5.164 1.00 0.00 H new ATOM 882 N ILE A 56 3.880 -1.186 4.914 1.00 0.00 N ATOM 883 CA ILE A 56 4.446 0.069 5.417 1.00 0.00 C ATOM 884 C ILE A 56 5.311 -0.218 6.645 1.00 0.00 C ATOM 885 O ILE A 56 4.881 -0.934 7.546 1.00 0.00 O ATOM 886 CB ILE A 56 3.312 1.074 5.734 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.320 1.157 4.544 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.918 2.446 6.016 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.241 2.240 4.624 1.00 0.00 C ATOM 0 H ILE A 56 2.920 -1.334 5.225 1.00 0.00 H new ATOM 0 HA ILE A 56 5.080 0.522 4.655 1.00 0.00 H new ATOM 0 HB ILE A 56 2.764 0.735 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.895 1.316 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.826 0.191 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.122 3.156 6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.593 2.377 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.472 2.786 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.613 2.194 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.627 2.078 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.713 3.220 4.685 1.00 0.00 H new ATOM 901 N ASN A 57 6.524 0.335 6.689 1.00 0.00 N ATOM 902 CA ASN A 57 7.517 -0.016 7.703 1.00 0.00 C ATOM 903 C ASN A 57 7.521 0.959 8.891 1.00 0.00 C ATOM 904 O ASN A 57 7.479 2.185 8.722 1.00 0.00 O ATOM 905 CB ASN A 57 8.888 -0.097 7.031 1.00 0.00 C ATOM 906 CG ASN A 57 9.961 -0.639 7.960 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.504 0.079 8.784 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.311 -1.901 7.854 1.00 0.00 N ATOM 0 H ASN A 57 6.845 1.038 6.023 1.00 0.00 H new ATOM 0 HA ASN A 57 7.257 -0.986 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.820 -0.734 6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.179 0.895 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.037 -2.282 8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.856 -2.500 7.165 1.00 0.00 H new ATOM 915 N ASP A 58 7.616 0.401 10.099 1.00 0.00 N ATOM 916 CA ASP A 58 7.547 1.135 11.373 1.00 0.00 C ATOM 917 C ASP A 58 8.711 2.113 11.650 1.00 0.00 C ATOM 918 O ASP A 58 8.643 2.939 12.564 1.00 0.00 O ATOM 919 CB ASP A 58 7.389 0.153 12.536 1.00 0.00 C ATOM 920 CG ASP A 58 8.698 -0.542 12.938 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.024 -1.601 12.358 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.384 -0.045 13.860 1.00 0.00 O ATOM 0 H ASP A 58 7.747 -0.603 10.226 1.00 0.00 H new ATOM 0 HA ASP A 58 6.669 1.774 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.991 0.687 13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.654 -0.605 12.263 1.00 0.00 H new ATOM 927 N ARG A 59 9.783 2.032 10.859 1.00 0.00 N ATOM 928 CA ARG A 59 10.949 2.914 10.948 1.00 0.00 C ATOM 929 C ARG A 59 10.728 4.256 10.236 1.00 0.00 C ATOM 930 O ARG A 59 11.303 5.262 10.655 1.00 0.00 O ATOM 931 CB ARG A 59 12.136 2.148 10.347 1.00 0.00 C ATOM 932 CG ARG A 59 13.502 2.834 10.470 1.00 0.00 C ATOM 933 CD ARG A 59 14.652 1.870 10.134 1.00 0.00 C ATOM 934 NE ARG A 59 14.438 1.118 8.880 1.00 0.00 N ATOM 935 CZ ARG A 59 15.356 0.443 8.195 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.626 0.442 8.539 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.998 -0.253 7.137 1.00 0.00 N ATOM 0 H ARG A 59 9.866 1.334 10.120 1.00 0.00 H new ATOM 0 HA ARG A 59 11.139 3.172 11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.196 1.172 10.828 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.933 1.971 9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.540 3.693 9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.629 3.214 11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.580 2.436 10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.777 1.165 10.956 1.00 0.00 H new ATOM 0 HE ARG A 59 13.491 1.117 8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.934 0.971 9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.303 -0.088 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.020 -0.273 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.698 -0.773 6.608 1.00 0.00 H new ATOM 951 N TYR A 60 9.856 4.311 9.221 1.00 0.00 N ATOM 952 CA TYR A 60 9.765 5.457 8.300 1.00 0.00 C ATOM 953 C TYR A 60 8.396 6.144 8.168 1.00 0.00 C ATOM 954 O TYR A 60 8.366 7.367 8.008 1.00 0.00 O ATOM 955 CB TYR A 60 10.214 4.975 6.911 1.00 0.00 C ATOM 956 CG TYR A 60 11.635 4.440 6.816 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.722 5.195 7.306 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.879 3.193 6.202 1.00 0.00 C ATOM 959 CE1 TYR A 60 14.040 4.720 7.169 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.198 2.725 6.043 1.00 0.00 C ATOM 961 CZ TYR A 60 14.284 3.492 6.515 1.00 0.00 C ATOM 962 OH TYR A 60 15.561 3.051 6.339 1.00 0.00 O ATOM 0 H TYR A 60 9.193 3.564 9.013 1.00 0.00 H new ATOM 0 HA TYR A 60 10.405 6.225 8.734 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.530 4.193 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.112 5.804 6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.541 6.144 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.051 2.595 5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.865 5.295 7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.378 1.777 5.559 1.00 0.00 H new ATOM 0 HH TYR A 60 15.548 2.189 5.872 1.00 0.00 H new ATOM 972 N TRP A 61 7.275 5.412 8.251 1.00 0.00 N ATOM 973 CA TRP A 61 5.957 5.959 7.877 1.00 0.00 C ATOM 974 C TRP A 61 4.830 5.658 8.878 1.00 0.00 C ATOM 975 O TRP A 61 4.005 6.537 9.130 1.00 0.00 O ATOM 976 CB TRP A 61 5.600 5.438 6.481 1.00 0.00 C ATOM 977 CG TRP A 61 6.619 5.588 5.393 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.234 4.562 4.761 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.098 6.802 4.738 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.091 5.055 3.796 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.027 6.430 3.718 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.801 8.177 4.862 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.630 7.373 2.869 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.381 9.127 4.001 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.298 8.731 3.010 1.00 0.00 C ATOM 0 H TRP A 61 7.252 4.444 8.572 1.00 0.00 H new ATOM 0 HA TRP A 61 6.044 7.045 7.885 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.361 4.378 6.571 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.690 5.944 6.158 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.078 3.516 4.978 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.695 4.475 3.214 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.117 8.505 5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.339 7.058 2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.120 10.170 4.102 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.745 9.468 2.360 1.00 0.00 H new ATOM 996 N CYS A 62 4.804 4.470 9.491 1.00 0.00 N ATOM 997 CA CYS A 62 3.926 4.146 10.629 1.00 0.00 C ATOM 998 C CYS A 62 4.699 4.008 11.956 1.00 0.00 C ATOM 999 O CYS A 62 5.915 3.874 11.969 1.00 0.00 O ATOM 1000 CB CYS A 62 3.106 2.890 10.306 1.00 0.00 C ATOM 1001 SG CYS A 62 4.035 1.513 9.583 1.00 0.00 S ATOM 0 H CYS A 62 5.400 3.692 9.209 1.00 0.00 H new ATOM 0 HA CYS A 62 3.242 4.982 10.777 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.631 2.542 11.223 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.307 3.167 9.618 1.00 0.00 H new ATOM 0 HG CYS A 62 3.230 0.517 9.360 1.00 0.00 H new ATOM 1006 N SER A 63 3.999 4.079 13.086 1.00 0.00 N ATOM 1007 CA SER A 63 4.559 3.955 14.445 1.00 0.00 C ATOM 1008 C SER A 63 4.230 2.594 15.076 1.00 0.00 C ATOM 1009 O SER A 63 3.069 2.175 15.083 1.00 0.00 O ATOM 1010 CB SER A 63 3.982 5.062 15.337 1.00 0.00 C ATOM 1011 OG SER A 63 4.507 4.979 16.653 1.00 0.00 O ATOM 0 H SER A 63 2.990 4.230 13.089 1.00 0.00 H new ATOM 0 HA SER A 63 5.642 4.045 14.366 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.215 6.037 14.909 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.896 4.979 15.369 1.00 0.00 H new ATOM 0 HG SER A 63 3.819 5.248 17.297 1.00 0.00 H new ATOM 1017 N LYS A 64 5.234 1.917 15.646 1.00 0.00 N ATOM 1018 CA LYS A 64 5.068 0.658 16.398 1.00 0.00 C ATOM 1019 C LYS A 64 4.630 0.839 17.869 1.00 0.00 C ATOM 1020 O LYS A 64 4.376 -0.152 18.562 1.00 0.00 O ATOM 1021 CB LYS A 64 6.376 -0.155 16.339 1.00 0.00 C ATOM 1022 CG LYS A 64 7.599 0.571 16.944 1.00 0.00 C ATOM 1023 CD LYS A 64 8.445 -0.324 17.864 1.00 0.00 C ATOM 1024 CE LYS A 64 9.029 -1.573 17.187 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.135 -1.247 16.250 1.00 0.00 N ATOM 0 H LYS A 64 6.203 2.231 15.599 1.00 0.00 H new ATOM 0 HA LYS A 64 4.251 0.125 15.911 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.229 -1.098 16.866 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.591 -0.402 15.299 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.227 0.945 16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.255 1.438 17.508 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.265 0.269 18.271 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.830 -0.639 18.707 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.395 -2.259 17.951 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.238 -2.092 16.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.659 -2.115 16.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.743 -0.834 15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.779 -0.564 16.697 1.00 0.00 H new ATOM 1039 N GLY A 65 4.605 2.081 18.365 1.00 0.00 N ATOM 1040 CA GLY A 65 4.408 2.415 19.783 1.00 0.00 C ATOM 1041 C GLY A 65 2.947 2.337 20.237 1.00 0.00 C ATOM 1042 O GLY A 65 2.104 1.731 19.576 1.00 0.00 O ATOM 0 H GLY A 65 4.724 2.905 17.776 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.005 1.737 20.393 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.783 3.422 19.965 1.00 0.00 H new ATOM 1046 N ALA A 66 2.644 2.972 21.372 1.00 0.00 N ATOM 1047 CA ALA A 66 1.291 3.052 21.942 1.00 0.00 C ATOM 1048 C ALA A 66 0.390 4.108 21.261 1.00 0.00 C ATOM 1049 O ALA A 66 -0.790 4.232 21.593 1.00 0.00 O ATOM 1050 CB ALA A 66 1.431 3.305 23.450 1.00 0.00 C ATOM 0 H ALA A 66 3.344 3.456 21.934 1.00 0.00 H new ATOM 0 HA ALA A 66 0.780 2.107 21.758 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.441 3.369 23.902 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.986 2.485 23.907 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.966 4.240 23.614 1.00 0.00 H new ATOM 1056 N SER A 67 0.922 4.864 20.299 1.00 0.00 N ATOM 1057 CA SER A 67 0.273 6.007 19.647 1.00 0.00 C ATOM 1058 C SER A 67 0.892 6.288 18.257 1.00 0.00 C ATOM 1059 O SER A 67 2.053 5.924 18.019 1.00 0.00 O ATOM 1060 CB SER A 67 0.380 7.243 20.563 1.00 0.00 C ATOM 1061 OG SER A 67 1.730 7.573 20.876 1.00 0.00 O ATOM 0 H SER A 67 1.859 4.690 19.936 1.00 0.00 H new ATOM 0 HA SER A 67 -0.779 5.772 19.485 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.096 8.095 20.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.169 7.056 21.486 1.00 0.00 H new ATOM 0 HG SER A 67 1.748 8.363 21.456 1.00 0.00 H new ATOM 1067 N PRO A 68 0.140 6.913 17.323 1.00 0.00 N ATOM 1068 CA PRO A 68 0.661 7.346 16.026 1.00 0.00 C ATOM 1069 C PRO A 68 1.636 8.525 16.200 1.00 0.00 C ATOM 1070 O PRO A 68 1.535 9.286 17.167 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.574 7.729 15.211 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.561 8.215 16.267 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.266 7.287 17.444 1.00 0.00 C ATOM 0 HA PRO A 68 1.234 6.568 15.522 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.349 8.509 14.483 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.968 6.878 14.655 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.398 9.262 16.524 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.594 8.127 15.929 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.455 7.789 18.393 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.907 6.406 17.416 1.00 0.00 H new ATOM 1081 N GLY A 69 2.591 8.677 15.273 1.00 0.00 N ATOM 1082 CA GLY A 69 3.688 9.646 15.432 1.00 0.00 C ATOM 1083 C GLY A 69 4.803 9.507 14.401 1.00 0.00 C ATOM 1084 O GLY A 69 5.923 9.120 14.732 1.00 0.00 O ATOM 0 H GLY A 69 2.628 8.143 14.405 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.278 10.654 15.373 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.115 9.534 16.429 1.00 0.00 H new ATOM 1088 N LYS A 70 4.482 9.847 13.153 1.00 0.00 N ATOM 1089 CA LYS A 70 5.368 9.845 11.975 1.00 0.00 C ATOM 1090 C LYS A 70 4.936 10.936 10.975 1.00 0.00 C ATOM 1091 O LYS A 70 3.934 11.622 11.183 1.00 0.00 O ATOM 1092 CB LYS A 70 5.317 8.456 11.293 1.00 0.00 C ATOM 1093 CG LYS A 70 5.991 7.294 12.029 1.00 0.00 C ATOM 1094 CD LYS A 70 7.512 7.427 12.177 1.00 0.00 C ATOM 1095 CE LYS A 70 8.078 6.151 12.816 1.00 0.00 C ATOM 1096 NZ LYS A 70 9.553 6.212 12.992 1.00 0.00 N ATOM 0 H LYS A 70 3.538 10.151 12.916 1.00 0.00 H new ATOM 0 HA LYS A 70 6.388 10.055 12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.271 8.195 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.776 8.545 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.549 7.205 13.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.771 6.368 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.970 7.592 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.754 8.293 12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.605 5.993 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.824 5.293 12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.837 5.578 13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.020 5.914 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.835 7.186 13.221 1.00 0.00 H new ATOM 1110 N ASP A 71 5.629 11.025 9.837 1.00 0.00 N ATOM 1111 CA ASP A 71 5.268 11.887 8.697 1.00 0.00 C ATOM 1112 C ASP A 71 3.858 11.606 8.133 1.00 0.00 C ATOM 1113 O ASP A 71 3.219 12.509 7.593 1.00 0.00 O ATOM 1114 CB ASP A 71 6.340 11.715 7.610 1.00 0.00 C ATOM 1115 CG ASP A 71 6.056 12.563 6.364 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.224 13.803 6.406 1.00 0.00 O ATOM 1117 OD2 ASP A 71 5.682 11.988 5.320 1.00 0.00 O ATOM 0 H ASP A 71 6.480 10.487 9.674 1.00 0.00 H new ATOM 0 HA ASP A 71 5.233 12.918 9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.313 11.989 8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.398 10.665 7.325 1.00 0.00 H new ATOM 1122 N CYS A 72 3.342 10.382 8.305 1.00 0.00 N ATOM 1123 CA CYS A 72 1.984 9.984 7.901 1.00 0.00 C ATOM 1124 C CYS A 72 0.982 9.887 9.070 1.00 0.00 C ATOM 1125 O CYS A 72 -0.189 9.593 8.836 1.00 0.00 O ATOM 1126 CB CYS A 72 2.069 8.670 7.120 1.00 0.00 C ATOM 1127 SG CYS A 72 3.192 8.735 5.695 1.00 0.00 S ATOM 0 H CYS A 72 3.868 9.623 8.738 1.00 0.00 H new ATOM 0 HA CYS A 72 1.584 10.775 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.397 7.879 7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.072 8.400 6.773 1.00 0.00 H new ATOM 0 HG CYS A 72 4.339 8.217 6.022 1.00 0.00 H new ATOM 1132 N ASN A 73 1.421 10.129 10.316 1.00 0.00 N ATOM 1133 CA ASN A 73 0.582 10.242 11.519 1.00 0.00 C ATOM 1134 C ASN A 73 -0.369 9.036 11.712 1.00 0.00 C ATOM 1135 O ASN A 73 -1.588 9.187 11.821 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.126 11.612 11.522 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.808 11.929 12.854 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.414 11.455 13.915 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.847 12.745 12.840 1.00 0.00 N ATOM 0 H ASN A 73 2.412 10.257 10.520 1.00 0.00 H new ATOM 0 HA ASN A 73 1.223 10.201 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.602 12.392 11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.870 11.632 10.725 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.322 12.981 13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.174 13.139 11.958 1.00 0.00 H new ATOM 1146 N VAL A 74 0.201 7.826 11.720 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.536 6.553 11.726 1.00 0.00 C ATOM 1148 C VAL A 74 0.256 5.458 12.452 1.00 0.00 C ATOM 1149 O VAL A 74 1.485 5.438 12.425 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.931 6.159 10.281 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.277 5.796 9.399 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -1.950 5.016 10.273 1.00 0.00 C ATOM 0 H VAL A 74 1.213 7.699 11.723 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.461 6.678 12.289 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.388 7.048 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.069 5.530 8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.950 6.651 9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.806 4.950 9.837 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.206 4.764 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.521 4.143 10.765 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.849 5.327 10.805 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.456 4.560 13.132 1.00 0.00 N ATOM 1163 CA LYS A 75 0.091 3.450 13.922 1.00 0.00 C ATOM 1164 C LYS A 75 0.044 2.131 13.122 1.00 0.00 C ATOM 1165 O LYS A 75 -0.958 1.843 12.472 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.725 3.381 15.228 1.00 0.00 C ATOM 1167 CG LYS A 75 0.055 2.773 16.400 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.710 2.843 17.734 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.839 1.810 17.896 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.182 2.343 17.545 1.00 0.00 N ATOM 0 H LYS A 75 -1.476 4.585 13.150 1.00 0.00 H new ATOM 0 HA LYS A 75 1.143 3.612 14.158 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.049 4.386 15.499 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.625 2.791 15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.286 1.732 16.174 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.006 3.295 16.505 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.001 2.712 18.550 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.135 3.841 17.839 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.624 0.946 17.268 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.854 1.458 18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.916 1.739 17.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.278 3.311 17.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.293 2.352 16.511 1.00 0.00 H new ATOM 1184 N CYS A 76 1.101 1.313 13.175 1.00 0.00 N ATOM 1185 CA CYS A 76 1.226 0.038 12.436 1.00 0.00 C ATOM 1186 C CYS A 76 0.024 -0.908 12.615 1.00 0.00 C ATOM 1187 O CYS A 76 -0.399 -1.563 11.667 1.00 0.00 O ATOM 1188 CB CYS A 76 2.494 -0.676 12.915 1.00 0.00 C ATOM 1189 SG CYS A 76 4.022 0.258 12.715 1.00 0.00 S ATOM 0 H CYS A 76 1.920 1.520 13.747 1.00 0.00 H new ATOM 0 HA CYS A 76 1.269 0.287 11.376 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.375 -0.926 13.969 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.589 -1.617 12.373 1.00 0.00 H new ATOM 0 HG CYS A 76 4.183 0.563 11.462 1.00 0.00 H new ATOM 1194 N SER A 77 -0.561 -0.954 13.813 1.00 0.00 N ATOM 1195 CA SER A 77 -1.724 -1.808 14.119 1.00 0.00 C ATOM 1196 C SER A 77 -3.026 -1.340 13.430 1.00 0.00 C ATOM 1197 O SER A 77 -3.836 -2.170 13.012 1.00 0.00 O ATOM 1198 CB SER A 77 -1.906 -1.887 15.643 1.00 0.00 C ATOM 1199 OG SER A 77 -2.803 -2.925 16.010 1.00 0.00 O ATOM 0 H SER A 77 -0.244 -0.399 14.607 1.00 0.00 H new ATOM 0 HA SER A 77 -1.518 -2.799 13.715 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.939 -2.057 16.117 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.281 -0.933 16.015 1.00 0.00 H new ATOM 0 HG SER A 77 -2.895 -2.948 16.985 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.211 -0.031 13.204 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.346 0.510 12.445 1.00 0.00 C ATOM 1207 C ASP A 78 -4.231 0.223 10.940 1.00 0.00 C ATOM 1208 O ASP A 78 -5.212 0.368 10.217 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.491 2.019 12.702 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.000 2.312 14.118 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.226 2.196 14.355 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.172 2.668 14.987 1.00 0.00 O ATOM 0 H ASP A 78 -2.572 0.687 13.546 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.244 0.002 12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.527 2.506 12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.179 2.447 11.973 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.072 -0.244 10.460 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.903 -0.713 9.083 1.00 0.00 C ATOM 1219 C LEU A 79 -3.408 -2.154 8.888 1.00 0.00 C ATOM 1220 O LEU A 79 -3.629 -2.568 7.750 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.432 -0.580 8.653 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.751 0.772 8.945 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.643 0.754 8.315 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.539 1.957 8.382 1.00 0.00 C ATOM 0 H LEU A 79 -2.222 -0.307 11.020 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.517 -0.079 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.859 -1.365 9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.371 -0.769 7.581 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.700 0.900 10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.143 1.703 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.227 -0.059 8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.554 0.605 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.017 2.885 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.629 1.853 7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.533 1.978 8.829 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.627 -2.899 9.981 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.087 -4.297 9.984 1.00 0.00 C ATOM 1238 C LEU A 80 -5.618 -4.428 10.141 1.00 0.00 C ATOM 1239 O LEU A 80 -6.130 -5.536 10.337 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.345 -5.088 11.082 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.805 -5.016 11.049 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.250 -5.859 12.206 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.208 -5.498 9.720 1.00 0.00 C ATOM 0 H LEU A 80 -3.484 -2.532 10.922 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.849 -4.721 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.684 -4.727 12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.641 -6.135 11.010 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.519 -3.969 11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.161 -5.818 12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.619 -5.465 13.153 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.575 -6.893 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.121 -5.422 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.493 -6.536 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.585 -4.879 8.906 1.00 0.00 H new ATOM 1255 N THR A 81 -6.349 -3.306 10.095 1.00 0.00 N ATOM 1256 CA THR A 81 -7.808 -3.228 10.280 1.00 0.00 C ATOM 1257 C THR A 81 -8.572 -3.602 9.005 1.00 0.00 C ATOM 1258 O THR A 81 -7.984 -3.993 7.997 1.00 0.00 O ATOM 1259 CB THR A 81 -8.165 -1.856 10.875 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.468 -1.914 11.412 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.084 -0.706 9.871 1.00 0.00 C ATOM 0 H THR A 81 -5.927 -2.394 9.922 1.00 0.00 H new ATOM 0 HA THR A 81 -8.136 -3.979 10.999 1.00 0.00 H new ATOM 0 HB THR A 81 -7.423 -1.645 11.645 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.703 -1.043 11.795 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.350 0.228 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.069 -0.634 9.481 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.776 -0.891 9.049 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.898 -3.530 9.060 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.828 -4.029 8.031 1.00 0.00 C ATOM 1271 C ASP A 82 -11.231 -2.964 6.986 1.00 0.00 C ATOM 1272 O ASP A 82 -12.133 -3.178 6.175 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.050 -4.660 8.718 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.681 -5.765 9.726 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -10.845 -6.639 9.397 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.242 -5.761 10.848 1.00 0.00 O ATOM 0 H ASP A 82 -10.382 -3.107 9.852 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.304 -4.790 7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.611 -3.880 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.710 -5.077 7.958 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.536 -1.825 6.985 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.585 -0.779 5.961 1.00 0.00 C ATOM 1283 C ASP A 83 -9.146 -0.351 5.646 1.00 0.00 C ATOM 1284 O ASP A 83 -8.366 -0.005 6.536 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.449 0.411 6.416 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.728 1.445 5.301 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.898 1.604 4.372 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.787 2.110 5.379 1.00 0.00 O ATOM 0 H ASP A 83 -9.889 -1.595 7.739 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.055 -1.166 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.399 0.034 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.952 0.912 7.246 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.793 -0.386 4.362 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.435 -0.124 3.871 1.00 0.00 C ATOM 1295 C ILE A 84 -7.016 1.347 4.018 1.00 0.00 C ATOM 1296 O ILE A 84 -5.831 1.638 3.867 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.292 -0.624 2.408 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.980 0.332 1.414 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.867 -2.043 2.249 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.730 0.016 -0.060 1.00 0.00 C ATOM 0 H ILE A 84 -9.455 -0.601 3.616 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.745 -0.686 4.501 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.226 -0.648 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.054 0.312 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.641 1.348 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.754 -2.368 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.331 -2.728 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.924 -2.039 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.254 0.742 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.661 0.066 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.096 -0.986 -0.285 1.00 0.00 H new ATOM 1312 N THR A 85 -7.957 2.271 4.280 1.00 0.00 N ATOM 1313 CA THR A 85 -7.754 3.734 4.238 1.00 0.00 C ATOM 1314 C THR A 85 -6.600 4.225 5.104 1.00 0.00 C ATOM 1315 O THR A 85 -5.841 5.092 4.679 1.00 0.00 O ATOM 1316 CB THR A 85 -9.066 4.466 4.540 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.908 5.837 4.252 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.539 4.316 5.985 1.00 0.00 C ATOM 0 H THR A 85 -8.911 2.014 4.535 1.00 0.00 H new ATOM 0 HA THR A 85 -7.451 3.978 3.220 1.00 0.00 H new ATOM 0 HB THR A 85 -9.828 4.007 3.910 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.745 6.310 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.473 4.862 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.699 3.261 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.783 4.718 6.659 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.372 3.615 6.271 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.243 3.965 7.146 1.00 0.00 C ATOM 1328 C LYS A 86 -3.881 3.720 6.467 1.00 0.00 C ATOM 1329 O LYS A 86 -2.934 4.479 6.679 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.361 3.175 8.463 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.695 3.338 9.215 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.008 4.790 9.605 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.290 4.833 10.448 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.638 6.219 10.857 1.00 0.00 N ATOM 0 H LYS A 86 -6.961 2.867 6.637 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.289 5.033 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.213 2.117 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.551 3.482 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.503 2.956 8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.671 2.726 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.176 5.213 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.129 5.399 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.114 4.405 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.162 4.214 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.509 6.205 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.863 6.619 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.786 6.804 10.010 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.797 2.702 5.605 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.623 2.396 4.788 1.00 0.00 C ATOM 1350 C ALA A 87 -2.639 3.170 3.462 1.00 0.00 C ATOM 1351 O ALA A 87 -1.605 3.687 3.048 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.574 0.873 4.585 1.00 0.00 C ATOM 0 H ALA A 87 -4.567 2.051 5.453 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.714 2.719 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.707 0.615 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.499 0.379 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.482 0.544 4.079 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.805 3.316 2.828 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.959 3.979 1.536 1.00 0.00 C ATOM 1360 C ALA A 88 -3.664 5.487 1.589 1.00 0.00 C ATOM 1361 O ALA A 88 -2.948 5.998 0.735 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.367 3.683 1.011 1.00 0.00 C ATOM 0 H ALA A 88 -4.685 2.968 3.209 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.215 3.580 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.505 4.169 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.494 2.606 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.106 4.063 1.717 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.129 6.207 2.611 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.810 7.632 2.788 1.00 0.00 C ATOM 1370 C LYS A 89 -2.328 7.863 3.139 1.00 0.00 C ATOM 1371 O LYS A 89 -1.724 8.841 2.692 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.724 8.222 3.872 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.226 8.217 3.534 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.589 9.062 2.306 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.117 9.133 2.173 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.530 9.925 0.986 1.00 0.00 N ATOM 0 H LYS A 89 -4.734 5.825 3.338 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.985 8.139 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.574 7.663 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.415 9.249 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.547 7.189 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.783 8.586 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.174 10.065 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.154 8.624 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.523 8.124 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.540 9.579 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.520 10.224 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.922 10.764 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.437 9.342 0.130 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.714 6.928 3.871 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.268 6.907 4.120 1.00 0.00 C ATOM 1392 C CYS A 90 0.510 6.645 2.818 1.00 0.00 C ATOM 1393 O CYS A 90 1.485 7.340 2.529 1.00 0.00 O ATOM 1394 CB CYS A 90 0.010 5.872 5.218 1.00 0.00 C ATOM 1395 SG CYS A 90 1.745 5.646 5.671 1.00 0.00 S ATOM 0 H CYS A 90 -2.212 6.155 4.313 1.00 0.00 H new ATOM 0 HA CYS A 90 0.081 7.878 4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.544 6.161 6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.389 4.911 4.893 1.00 0.00 H new ATOM 0 HG CYS A 90 2.376 6.776 5.548 1.00 0.00 H new ATOM 1400 N ALA A 91 0.013 5.746 1.964 1.00 0.00 N ATOM 1401 CA ALA A 91 0.544 5.504 0.626 1.00 0.00 C ATOM 1402 C ALA A 91 0.482 6.750 -0.276 1.00 0.00 C ATOM 1403 O ALA A 91 1.461 7.012 -0.970 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.181 4.299 0.022 1.00 0.00 C ATOM 0 H ALA A 91 -0.787 5.155 2.191 1.00 0.00 H new ATOM 0 HA ALA A 91 1.607 5.276 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.205 4.106 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.016 3.423 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.249 4.508 -0.036 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.570 7.587 -0.217 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.566 8.886 -0.913 1.00 0.00 C ATOM 1412 C LYS A 92 0.525 9.836 -0.386 1.00 0.00 C ATOM 1413 O LYS A 92 1.222 10.470 -1.178 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.935 9.586 -0.828 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.173 8.766 -1.212 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.120 7.997 -2.541 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.722 8.824 -3.776 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.689 9.915 -4.079 1.00 0.00 N ATOM 0 H LYS A 92 -1.426 7.389 0.301 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.346 8.658 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.069 9.940 0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.903 10.467 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.364 8.049 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.028 9.441 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.414 7.174 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.100 7.555 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.734 9.255 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.645 8.164 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.312 10.510 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.596 9.502 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.835 10.496 -3.229 1.00 0.00 H new ATOM 1432 N LYS A 93 0.724 9.913 0.937 1.00 0.00 N ATOM 1433 CA LYS A 93 1.789 10.734 1.545 1.00 0.00 C ATOM 1434 C LYS A 93 3.208 10.233 1.193 1.00 0.00 C ATOM 1435 O LYS A 93 4.148 11.027 1.144 1.00 0.00 O ATOM 1436 CB LYS A 93 1.534 10.864 3.061 1.00 0.00 C ATOM 1437 CG LYS A 93 2.540 11.746 3.832 1.00 0.00 C ATOM 1438 CD LYS A 93 2.659 13.179 3.280 1.00 0.00 C ATOM 1439 CE LYS A 93 3.625 14.078 4.066 1.00 0.00 C ATOM 1440 NZ LYS A 93 3.167 14.372 5.448 1.00 0.00 N ATOM 0 H LYS A 93 0.154 9.410 1.618 1.00 0.00 H new ATOM 0 HA LYS A 93 1.750 11.734 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.533 11.270 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.542 9.866 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.240 11.793 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.521 11.272 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.989 13.130 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.671 13.639 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.602 13.597 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.755 15.017 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.736 15.147 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.166 14.652 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.278 13.523 6.039 1.00 0.00 H new ATOM 1454 N ILE A 94 3.361 8.950 0.858 1.00 0.00 N ATOM 1455 CA ILE A 94 4.599 8.412 0.270 1.00 0.00 C ATOM 1456 C ILE A 94 4.700 8.792 -1.216 1.00 0.00 C ATOM 1457 O ILE A 94 5.725 9.324 -1.637 1.00 0.00 O ATOM 1458 CB ILE A 94 4.696 6.887 0.488 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.761 6.537 1.992 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.954 6.380 -0.236 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.543 5.049 2.299 1.00 0.00 C ATOM 0 H ILE A 94 2.630 8.250 0.985 1.00 0.00 H new ATOM 0 HA ILE A 94 5.451 8.861 0.780 1.00 0.00 H new ATOM 0 HB ILE A 94 3.805 6.405 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.733 6.839 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.009 7.121 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.045 5.303 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.876 6.603 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.834 6.875 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.604 4.887 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.560 4.744 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.310 4.458 1.799 1.00 0.00 H new ATOM 1473 N TYR A 95 3.640 8.585 -2.003 1.00 0.00 N ATOM 1474 CA TYR A 95 3.586 8.891 -3.444 1.00 0.00 C ATOM 1475 C TYR A 95 3.915 10.360 -3.780 1.00 0.00 C ATOM 1476 O TYR A 95 4.504 10.644 -4.823 1.00 0.00 O ATOM 1477 CB TYR A 95 2.230 8.418 -4.009 1.00 0.00 C ATOM 1478 CG TYR A 95 1.593 9.252 -5.108 1.00 0.00 C ATOM 1479 CD1 TYR A 95 0.916 10.444 -4.780 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.628 8.818 -6.449 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.303 11.215 -5.785 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.018 9.583 -7.460 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.355 10.788 -7.131 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.241 11.538 -8.101 1.00 0.00 O ATOM 0 H TYR A 95 2.769 8.189 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 95 4.381 8.336 -3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.360 7.405 -4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.524 8.359 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.867 10.768 -3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.126 7.893 -6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.207 12.132 -5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.056 9.250 -8.487 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.114 11.107 -8.972 1.00 0.00 H new ATOM 1494 N LYS A 96 3.634 11.281 -2.854 1.00 0.00 N ATOM 1495 CA LYS A 96 4.055 12.691 -2.892 1.00 0.00 C ATOM 1496 C LYS A 96 5.580 12.913 -3.011 1.00 0.00 C ATOM 1497 O LYS A 96 6.003 13.953 -3.524 1.00 0.00 O ATOM 1498 CB LYS A 96 3.524 13.356 -1.611 1.00 0.00 C ATOM 1499 CG LYS A 96 2.061 13.800 -1.776 1.00 0.00 C ATOM 1500 CD LYS A 96 1.552 14.535 -0.527 1.00 0.00 C ATOM 1501 CE LYS A 96 0.074 14.941 -0.644 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.148 16.026 -1.638 1.00 0.00 N ATOM 0 H LYS A 96 3.085 11.060 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 96 3.643 13.134 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.602 12.658 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.142 14.219 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.973 14.453 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.435 12.929 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.681 13.895 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.158 15.426 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.516 14.069 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.287 15.268 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.161 16.260 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.392 16.869 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.169 15.708 -2.576 1.00 0.00 H new ATOM 1516 N ARG A 97 6.395 11.949 -2.563 1.00 0.00 N ATOM 1517 CA ARG A 97 7.867 11.966 -2.628 1.00 0.00 C ATOM 1518 C ARG A 97 8.436 10.859 -3.530 1.00 0.00 C ATOM 1519 O ARG A 97 9.445 11.065 -4.203 1.00 0.00 O ATOM 1520 CB ARG A 97 8.451 11.859 -1.221 1.00 0.00 C ATOM 1521 CG ARG A 97 8.049 13.069 -0.363 1.00 0.00 C ATOM 1522 CD ARG A 97 8.963 13.097 0.856 1.00 0.00 C ATOM 1523 NE ARG A 97 8.480 13.997 1.922 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.649 13.679 2.910 1.00 0.00 C ATOM 1525 NH1 ARG A 97 6.967 12.556 2.918 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.498 14.498 3.928 1.00 0.00 N ATOM 0 H ARG A 97 6.035 11.100 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 97 8.159 12.916 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.102 10.941 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.538 11.795 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.146 13.992 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.006 12.991 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.056 12.087 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.960 13.411 0.548 1.00 0.00 H new ATOM 0 HE ARG A 97 8.818 14.959 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.066 11.894 2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.339 12.346 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.018 15.375 3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.861 14.256 4.687 1.00 0.00 H new ATOM 1540 N HIS A 98 7.764 9.707 -3.578 1.00 0.00 N ATOM 1541 CA HIS A 98 8.162 8.486 -4.286 1.00 0.00 C ATOM 1542 C HIS A 98 6.917 7.766 -4.843 1.00 0.00 C ATOM 1543 O HIS A 98 6.392 6.846 -4.210 1.00 0.00 O ATOM 1544 CB HIS A 98 8.952 7.586 -3.316 1.00 0.00 C ATOM 1545 CG HIS A 98 10.261 8.163 -2.848 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.435 8.222 -3.602 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.494 8.698 -1.615 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.346 8.802 -2.802 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.811 9.099 -1.603 1.00 0.00 N ATOM 0 H HIS A 98 6.873 9.594 -3.095 1.00 0.00 H new ATOM 0 HA HIS A 98 8.801 8.732 -5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.330 7.379 -2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.145 6.631 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.784 8.789 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.369 9.003 -3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.296 9.543 -0.823 1.00 0.00 H new ATOM 1557 N ARG A 99 6.426 8.209 -6.014 1.00 0.00 N ATOM 1558 CA ARG A 99 5.154 7.789 -6.642 1.00 0.00 C ATOM 1559 C ARG A 99 4.881 6.273 -6.563 1.00 0.00 C ATOM 1560 O ARG A 99 3.780 5.864 -6.200 1.00 0.00 O ATOM 1561 CB ARG A 99 4.978 8.312 -8.080 1.00 0.00 C ATOM 1562 CG ARG A 99 6.028 7.858 -9.103 1.00 0.00 C ATOM 1563 CD ARG A 99 7.265 8.755 -9.070 1.00 0.00 C ATOM 1564 NE ARG A 99 8.431 8.077 -9.646 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.854 8.021 -10.898 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.259 8.663 -11.882 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.910 7.281 -11.146 1.00 0.00 N ATOM 0 H ARG A 99 6.924 8.900 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 99 4.392 8.270 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.996 8.003 -8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.979 9.402 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.318 6.828 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.594 7.872 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.066 9.673 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.481 9.043 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 99 9.007 7.568 -8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.435 9.234 -11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.622 8.589 -12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.370 6.778 -10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.270 7.209 -12.098 1.00 0.00 H new ATOM 1581 N PHE A 100 5.914 5.467 -6.826 1.00 0.00 N ATOM 1582 CA PHE A 100 5.933 4.002 -6.709 1.00 0.00 C ATOM 1583 C PHE A 100 7.308 3.455 -6.256 1.00 0.00 C ATOM 1584 O PHE A 100 7.472 2.253 -6.048 1.00 0.00 O ATOM 1585 CB PHE A 100 5.591 3.394 -8.073 1.00 0.00 C ATOM 1586 CG PHE A 100 4.275 3.819 -8.685 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.069 3.394 -8.101 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.249 4.626 -9.839 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.844 3.779 -8.660 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.019 5.014 -10.397 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.815 4.591 -9.806 1.00 0.00 C ATOM 0 H PHE A 100 6.810 5.837 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 100 5.202 3.726 -5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.390 3.647 -8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.587 2.309 -7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.087 2.770 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.174 4.947 -10.295 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.919 3.451 -8.209 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.998 5.637 -11.279 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.869 4.890 -10.233 1.00 0.00 H new ATOM 1601 N ASP A 101 8.306 4.331 -6.101 1.00 0.00 N ATOM 1602 CA ASP A 101 9.727 4.009 -5.940 1.00 0.00 C ATOM 1603 C ASP A 101 10.095 3.501 -4.536 1.00 0.00 C ATOM 1604 O ASP A 101 11.157 2.900 -4.358 1.00 0.00 O ATOM 1605 CB ASP A 101 10.574 5.253 -6.295 1.00 0.00 C ATOM 1606 CG ASP A 101 9.989 6.124 -7.420 1.00 0.00 C ATOM 1607 OD1 ASP A 101 8.964 6.801 -7.163 1.00 0.00 O ATOM 1608 OD2 ASP A 101 10.530 6.137 -8.552 1.00 0.00 O ATOM 0 H ASP A 101 8.135 5.336 -6.084 1.00 0.00 H new ATOM 0 HA ASP A 101 9.943 3.186 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.689 5.866 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.572 4.926 -6.588 1.00 0.00 H new ATOM 1613 N ALA A 102 9.215 3.704 -3.550 1.00 0.00 N ATOM 1614 CA ALA A 102 9.385 3.252 -2.165 1.00 0.00 C ATOM 1615 C ALA A 102 9.092 1.749 -1.959 1.00 0.00 C ATOM 1616 O ALA A 102 9.319 1.224 -0.867 1.00 0.00 O ATOM 1617 CB ALA A 102 8.495 4.129 -1.278 1.00 0.00 C ATOM 0 H ALA A 102 8.338 4.203 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 102 10.434 3.361 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.598 3.818 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.797 5.172 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.455 4.022 -1.587 1.00 0.00 H new ATOM 1623 N TRP A 103 8.613 1.056 -2.999 1.00 0.00 N ATOM 1624 CA TRP A 103 8.179 -0.345 -2.962 1.00 0.00 C ATOM 1625 C TRP A 103 9.003 -1.236 -3.894 1.00 0.00 C ATOM 1626 O TRP A 103 9.476 -0.804 -4.948 1.00 0.00 O ATOM 1627 CB TRP A 103 6.685 -0.393 -3.300 1.00 0.00 C ATOM 1628 CG TRP A 103 5.798 0.259 -2.284 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.380 -0.326 -1.143 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.210 1.600 -2.275 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.555 0.534 -0.453 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.384 1.728 -1.118 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.274 2.719 -3.133 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.620 2.876 -0.856 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.520 3.881 -2.882 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.680 3.955 -1.756 1.00 0.00 C ATOM 0 H TRP A 103 8.513 1.472 -3.925 1.00 0.00 H new ATOM 0 HA TRP A 103 8.344 -0.745 -1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.528 0.090 -4.265 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.384 -1.435 -3.412 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.652 -1.320 -0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.122 0.313 0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.915 2.683 -4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.995 2.930 0.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.587 4.721 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.083 4.838 -1.583 1.00 0.00 H new ATOM 1647 N TYR A 104 9.210 -2.487 -3.477 1.00 0.00 N ATOM 1648 CA TYR A 104 10.095 -3.437 -4.150 1.00 0.00 C ATOM 1649 C TYR A 104 9.384 -4.281 -5.215 1.00 0.00 C ATOM 1650 O TYR A 104 9.926 -4.470 -6.304 1.00 0.00 O ATOM 1651 CB TYR A 104 10.776 -4.325 -3.103 1.00 0.00 C ATOM 1652 CG TYR A 104 11.925 -5.104 -3.703 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.136 -4.437 -3.967 1.00 0.00 C ATOM 1654 CD2 TYR A 104 11.765 -6.452 -4.074 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.193 -5.115 -4.602 1.00 0.00 C ATOM 1656 CE2 TYR A 104 12.818 -7.137 -4.708 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.035 -6.470 -4.978 1.00 0.00 C ATOM 1658 OH TYR A 104 15.046 -7.133 -5.607 1.00 0.00 O ATOM 0 H TYR A 104 8.759 -2.874 -2.648 1.00 0.00 H new ATOM 0 HA TYR A 104 10.846 -2.860 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.142 -3.708 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.047 -5.016 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.254 -3.402 -3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.834 -6.961 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.122 -4.603 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.696 -8.173 -4.989 1.00 0.00 H new ATOM 0 HH TYR A 104 14.768 -8.054 -5.792 1.00 0.00 H new ATOM 1668 N GLY A 105 8.151 -4.726 -4.951 1.00 0.00 N ATOM 1669 CA GLY A 105 7.354 -5.524 -5.892 1.00 0.00 C ATOM 1670 C GLY A 105 7.024 -4.756 -7.172 1.00 0.00 C ATOM 1671 O GLY A 105 6.946 -5.345 -8.249 1.00 0.00 O ATOM 0 H GLY A 105 7.672 -4.541 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.900 -6.433 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.428 -5.834 -5.408 1.00 0.00 H new ATOM 1675 N TRP A 106 6.923 -3.427 -7.078 1.00 0.00 N ATOM 1676 CA TRP A 106 6.734 -2.555 -8.233 1.00 0.00 C ATOM 1677 C TRP A 106 7.945 -2.533 -9.184 1.00 0.00 C ATOM 1678 O TRP A 106 7.775 -2.656 -10.398 1.00 0.00 O ATOM 1679 CB TRP A 106 6.342 -1.159 -7.751 1.00 0.00 C ATOM 1680 CG TRP A 106 6.206 -0.174 -8.864 1.00 0.00 C ATOM 1681 CD1 TRP A 106 5.104 0.041 -9.618 1.00 0.00 C ATOM 1682 CD2 TRP A 106 7.238 0.701 -9.402 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.386 0.991 -10.581 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.695 1.423 -10.503 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.587 0.940 -9.066 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.459 2.341 -11.239 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.369 1.841 -9.807 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.808 2.546 -10.889 1.00 0.00 C ATOM 0 H TRP A 106 6.971 -2.926 -6.191 1.00 0.00 H new ATOM 0 HA TRP A 106 5.922 -2.962 -8.836 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.398 -1.220 -7.210 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.092 -0.800 -7.046 1.00 0.00 H new ATOM 0 HD1 TRP A 106 4.152 -0.453 -9.488 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.710 1.331 -11.265 1.00 0.00 H new ATOM 0 HE3 TRP A 106 9.025 0.422 -8.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 7.019 2.883 -12.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.406 1.994 -9.546 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.412 3.244 -11.450 1.00 0.00 H new ATOM 1699 N LYS A 107 9.172 -2.431 -8.660 1.00 0.00 N ATOM 1700 CA LYS A 107 10.395 -2.453 -9.485 1.00 0.00 C ATOM 1701 C LYS A 107 10.864 -3.877 -9.862 1.00 0.00 C ATOM 1702 O LYS A 107 11.612 -4.032 -10.828 1.00 0.00 O ATOM 1703 CB LYS A 107 11.503 -1.597 -8.842 1.00 0.00 C ATOM 1704 CG LYS A 107 11.895 -2.035 -7.425 1.00 0.00 C ATOM 1705 CD LYS A 107 13.130 -1.294 -6.889 1.00 0.00 C ATOM 1706 CE LYS A 107 12.885 0.195 -6.590 1.00 0.00 C ATOM 1707 NZ LYS A 107 12.069 0.395 -5.363 1.00 0.00 N ATOM 0 H LYS A 107 9.349 -2.331 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 107 10.142 -1.995 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.388 -1.631 -9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.172 -0.559 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.055 -1.864 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.092 -3.107 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.469 -1.786 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.937 -1.380 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.842 0.703 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.380 0.656 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.872 1.409 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.172 -0.123 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.591 0.040 -4.537 1.00 0.00 H new ATOM 1721 N ASN A 108 10.394 -4.911 -9.154 1.00 0.00 N ATOM 1722 CA ASN A 108 10.768 -6.313 -9.387 1.00 0.00 C ATOM 1723 C ASN A 108 9.796 -7.078 -10.317 1.00 0.00 C ATOM 1724 O ASN A 108 10.220 -8.021 -10.985 1.00 0.00 O ATOM 1725 CB ASN A 108 10.927 -7.003 -8.022 1.00 0.00 C ATOM 1726 CG ASN A 108 11.641 -8.347 -8.125 1.00 0.00 C ATOM 1727 OD1 ASN A 108 12.960 -8.345 -8.211 1.00 0.00 O flip ATOM 1728 ND2 ASN A 108 11.030 -9.408 -8.118 1.00 0.00 N flip ATOM 0 H ASN A 108 9.730 -4.795 -8.388 1.00 0.00 H new ATOM 0 HA ASN A 108 11.714 -6.326 -9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.485 -6.350 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.943 -7.151 -7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.012 -9.410 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 108 11.539 -10.290 -8.178 1.00 0.00 H new ATOM 1735 N HIS A 109 8.525 -6.653 -10.420 1.00 0.00 N ATOM 1736 CA HIS A 109 7.491 -7.321 -11.240 1.00 0.00 C ATOM 1737 C HIS A 109 6.683 -6.372 -12.152 1.00 0.00 C ATOM 1738 O HIS A 109 6.508 -6.658 -13.339 1.00 0.00 O ATOM 1739 CB HIS A 109 6.529 -8.086 -10.318 1.00 0.00 C ATOM 1740 CG HIS A 109 7.175 -9.144 -9.467 1.00 0.00 C ATOM 1741 ND1 HIS A 109 7.576 -10.407 -9.911 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.428 -9.038 -8.131 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.068 -11.027 -8.826 1.00 0.00 C ATOM 1744 NE2 HIS A 109 7.991 -10.233 -7.742 1.00 0.00 N ATOM 0 H HIS A 109 8.180 -5.827 -9.932 1.00 0.00 H new ATOM 0 HA HIS A 109 8.025 -7.995 -11.909 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.029 -7.371 -9.665 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.757 -8.553 -10.930 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.226 -8.184 -7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.471 -12.029 -8.824 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.296 -10.474 -6.799 1.00 0.00 H new ATOM 1752 N CYS A 110 6.221 -5.222 -11.639 1.00 0.00 N ATOM 1753 CA CYS A 110 5.302 -4.320 -12.366 1.00 0.00 C ATOM 1754 C CYS A 110 5.936 -3.575 -13.560 1.00 0.00 C ATOM 1755 O CYS A 110 5.225 -2.928 -14.326 1.00 0.00 O ATOM 1756 CB CYS A 110 4.662 -3.326 -11.388 1.00 0.00 C ATOM 1757 SG CYS A 110 3.871 -4.079 -9.944 1.00 0.00 S ATOM 0 H CYS A 110 6.471 -4.887 -10.709 1.00 0.00 H new ATOM 0 HA CYS A 110 4.541 -4.964 -12.806 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.429 -2.633 -11.043 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.919 -2.737 -11.926 1.00 0.00 H new ATOM 0 HG CYS A 110 2.839 -4.771 -10.326 1.00 0.00 H new ATOM 1762 N GLN A 111 7.258 -3.683 -13.744 1.00 0.00 N ATOM 1763 CA GLN A 111 7.972 -3.153 -14.913 1.00 0.00 C ATOM 1764 C GLN A 111 7.748 -4.005 -16.178 1.00 0.00 C ATOM 1765 O GLN A 111 7.868 -3.486 -17.289 1.00 0.00 O ATOM 1766 CB GLN A 111 9.484 -3.074 -14.623 1.00 0.00 C ATOM 1767 CG GLN A 111 9.866 -2.324 -13.336 1.00 0.00 C ATOM 1768 CD GLN A 111 9.331 -0.892 -13.284 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.688 -0.031 -14.078 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.455 -0.582 -12.351 1.00 0.00 N ATOM 0 H GLN A 111 7.871 -4.148 -13.075 1.00 0.00 H new ATOM 0 HA GLN A 111 7.569 -2.158 -15.102 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.880 -4.088 -14.565 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.975 -2.588 -15.467 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.487 -2.877 -12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.952 -2.301 -13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.149 -1.290 -11.683 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.082 0.366 -12.296 1.00 0.00 H new ATOM 1779 N GLY A 112 7.423 -5.299 -16.024 1.00 0.00 N ATOM 1780 CA GLY A 112 7.231 -6.239 -17.137 1.00 0.00 C ATOM 1781 C GLY A 112 5.786 -6.287 -17.637 1.00 0.00 C ATOM 1782 O GLY A 112 5.550 -6.204 -18.842 1.00 0.00 O ATOM 0 H GLY A 112 7.285 -5.726 -15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.886 -5.956 -17.961 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.533 -7.237 -16.819 1.00 0.00 H new ATOM 1786 N SER A 113 4.825 -6.388 -16.717 1.00 0.00 N ATOM 1787 CA SER A 113 3.395 -6.584 -17.011 1.00 0.00 C ATOM 1788 C SER A 113 2.503 -6.020 -15.893 1.00 0.00 C ATOM 1789 O SER A 113 2.827 -6.147 -14.708 1.00 0.00 O ATOM 1790 CB SER A 113 3.075 -8.083 -17.167 1.00 0.00 C ATOM 1791 OG SER A 113 3.710 -8.671 -18.297 1.00 0.00 O ATOM 0 H SER A 113 5.020 -6.335 -15.717 1.00 0.00 H new ATOM 0 HA SER A 113 3.189 -6.052 -17.940 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.386 -8.611 -16.266 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.996 -8.212 -17.255 1.00 0.00 H new ATOM 0 HG SER A 113 3.475 -9.621 -18.347 1.00 0.00 H new ATOM 1797 N LEU A 114 1.359 -5.430 -16.266 1.00 0.00 N ATOM 1798 CA LEU A 114 0.291 -4.989 -15.363 1.00 0.00 C ATOM 1799 C LEU A 114 -1.032 -5.727 -15.670 1.00 0.00 C ATOM 1800 O LEU A 114 -1.281 -6.047 -16.838 1.00 0.00 O ATOM 1801 CB LEU A 114 0.103 -3.474 -15.542 1.00 0.00 C ATOM 1802 CG LEU A 114 1.313 -2.611 -15.137 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.038 -1.163 -15.554 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.586 -2.675 -13.629 1.00 0.00 C ATOM 0 H LEU A 114 1.145 -5.240 -17.245 1.00 0.00 H new ATOM 0 HA LEU A 114 0.567 -5.218 -14.334 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.132 -3.274 -16.587 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.760 -3.159 -14.955 1.00 0.00 H new ATOM 0 HG LEU A 114 2.199 -2.997 -15.641 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.885 -0.537 -15.275 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.893 -1.117 -16.633 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.140 -0.804 -15.051 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.447 -2.052 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.713 -2.313 -13.086 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.792 -3.706 -13.340 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.906 -5.955 -14.670 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.211 -6.580 -14.861 1.00 0.00 C ATOM 1818 C PRO A 115 -4.202 -5.610 -15.513 1.00 0.00 C ATOM 1819 O PRO A 115 -4.016 -4.394 -15.481 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.669 -6.974 -13.457 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.065 -5.883 -12.577 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.732 -5.599 -13.269 1.00 0.00 C ATOM 0 HA PRO A 115 -3.155 -7.440 -15.529 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.756 -6.999 -13.380 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.307 -7.964 -13.178 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.698 -4.997 -12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.925 -6.221 -11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.459 -4.549 -13.167 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.929 -6.182 -12.818 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.277 -6.153 -16.086 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.405 -5.376 -16.607 1.00 0.00 C ATOM 1832 C ASP A 116 -7.356 -4.908 -15.485 1.00 0.00 C ATOM 1833 O ASP A 116 -7.537 -5.576 -14.463 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.150 -6.203 -17.670 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.323 -5.450 -18.328 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.245 -4.207 -18.474 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.324 -6.110 -18.692 1.00 0.00 O ATOM 0 H ASP A 116 -5.391 -7.160 -16.203 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.014 -4.471 -17.071 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.444 -6.505 -18.443 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.528 -7.116 -17.209 1.00 0.00 H new ATOM 1842 N ILE A 117 -7.990 -3.756 -15.714 1.00 0.00 N ATOM 1843 CA ILE A 117 -8.972 -3.105 -14.831 1.00 0.00 C ATOM 1844 C ILE A 117 -10.252 -2.666 -15.564 1.00 0.00 C ATOM 1845 O ILE A 117 -11.178 -2.175 -14.925 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.332 -1.897 -14.112 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.856 -0.848 -15.146 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.205 -2.350 -13.163 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.474 0.488 -14.520 1.00 0.00 C ATOM 0 H ILE A 117 -7.826 -3.220 -16.566 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.271 -3.855 -14.099 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.085 -1.417 -13.487 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.998 -1.246 -15.688 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.647 -0.685 -15.878 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.772 -1.479 -12.670 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.612 -3.027 -12.412 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.433 -2.864 -13.735 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.150 1.176 -15.301 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.337 0.907 -14.002 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.662 0.338 -13.809 1.00 0.00 H new ATOM 1861 N SER A 118 -10.343 -2.820 -16.887 1.00 0.00 N ATOM 1862 CA SER A 118 -11.500 -2.354 -17.676 1.00 0.00 C ATOM 1863 C SER A 118 -12.791 -3.166 -17.433 1.00 0.00 C ATOM 1864 O SER A 118 -13.876 -2.764 -17.856 1.00 0.00 O ATOM 1865 CB SER A 118 -11.149 -2.344 -19.172 1.00 0.00 C ATOM 1866 OG SER A 118 -10.094 -1.428 -19.442 1.00 0.00 O ATOM 0 H SER A 118 -9.620 -3.271 -17.447 1.00 0.00 H new ATOM 0 HA SER A 118 -11.714 -1.341 -17.334 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.856 -3.345 -19.487 1.00 0.00 H new ATOM 0 HB3 SER A 118 -12.030 -2.072 -19.754 1.00 0.00 H new ATOM 0 HG SER A 118 -9.887 -1.440 -20.400 1.00 0.00 H new ATOM 1872 N SER A 119 -12.702 -4.289 -16.718 1.00 0.00 N ATOM 1873 CA SER A 119 -13.833 -5.076 -16.209 1.00 0.00 C ATOM 1874 C SER A 119 -14.379 -4.582 -14.850 1.00 0.00 C ATOM 1875 O SER A 119 -15.446 -5.031 -14.416 1.00 0.00 O ATOM 1876 CB SER A 119 -13.383 -6.538 -16.085 1.00 0.00 C ATOM 1877 OG SER A 119 -12.181 -6.655 -15.327 1.00 0.00 O ATOM 0 H SER A 119 -11.801 -4.695 -16.465 1.00 0.00 H new ATOM 0 HA SER A 119 -14.653 -4.964 -16.918 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.171 -7.123 -15.611 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.229 -6.957 -17.079 1.00 0.00 H new ATOM 0 HG SER A 119 -11.923 -7.599 -15.266 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.669 -3.662 -14.183 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.966 -3.154 -12.838 1.00 0.00 C ATOM 1885 C CYS A 120 -14.786 -1.846 -12.874 1.00 0.00 C ATOM 1886 O CYS A 120 -15.864 -1.805 -12.239 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.642 -2.965 -12.081 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.527 -4.397 -12.067 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.329 -0.846 -13.474 1.00 0.00 O ATOM 0 H CYS A 120 -12.835 -3.233 -14.585 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.588 -3.882 -12.317 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.112 -2.120 -12.520 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.870 -2.696 -11.050 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.144 -5.422 -11.558 1.00 0.00 H new