USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1049 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 115 THR OG1 : rot 180:sc= 0.00446 USER MOD Set 1.2: A 137 THR OG1 : rot -76:sc= 0.00551 USER MOD Set 2.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 130 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 117 THR OG1 : rot -50:sc= 0.394 USER MOD Set 3.2: A 135 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 1 GLU N :NH3+ -120:sc= 0.0791 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.2 K(o=-1.2,f=-6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.551 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0585 X(o=-0.058,f=-0.058) USER MOD Single : A 36 ASN : amide:sc= -0.0766 K(o=-0.077,f=-2.3!) USER MOD Single : A 39 GLN : amide:sc= -0.46 K(o=-0.46,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= -2.44! (180deg=-2.63!) USER MOD Single : A 46 THR OG1 : rot -26:sc= 0.0365 USER MOD Single : A 48 ASN : amide:sc= -2.71! C(o=-2.7!,f=-5.9!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.106 (180deg=-0.436) USER MOD Single : A 58 SER OG : rot 180:sc= 0.025 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.729 K(o=-0.73,f=-1.5) USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= -0.0544 (180deg=-0.528) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.852 USER MOD Single : A 68 ASN : amide:sc= 1.06 K(o=1.1,f=-0.9) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.0259 X(o=0.026,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 76:sc= 2.08 USER MOD Single : A 81 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.072) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 1.05! (180deg=0.707!) USER MOD Single : A 87 ASN : amide:sc= -0.0526 K(o=-0.053,f=-0.58) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -99:sc= -4.29! USER MOD Single : A 103 GLN : amide:sc= -2.02! C(o=-2!,f=-2.8!) USER MOD Single : A 104 GLN : amide:sc= -1.04 K(o=-1,f=-0.26) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 106 ASN : amide:sc= -2.28! C(o=-2.3!,f=-14!) USER MOD Single : A 107 THR OG1 : rot 93:sc= 1.16 USER MOD Single : A 111 ASN : amide:sc=-0.00778 K(o=-0.0078,f=-1.5) USER MOD Single : A 112 TYR OH : rot 130:sc= -0.36 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.016) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 132 SER OG : rot 155:sc= -0.0491 USER MOD Single : A 134 THR OG1 : rot 126:sc= 1.63 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0755 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -21.470 -2.105 -5.273 1.00 4.07 N ATOM 2 CA GLU A 1 -21.291 -0.784 -5.916 1.00 3.34 C ATOM 3 C GLU A 1 -19.926 -0.684 -6.580 1.00 2.61 C ATOM 4 O GLU A 1 -19.046 -1.517 -6.353 1.00 3.01 O ATOM 5 CB GLU A 1 -21.454 0.345 -4.896 1.00 4.00 C ATOM 6 CG GLU A 1 -22.896 0.589 -4.485 1.00 4.80 C ATOM 7 CD GLU A 1 -23.782 0.909 -5.670 1.00 5.32 C ATOM 8 OE1 GLU A 1 -23.777 2.069 -6.121 1.00 5.73 O ATOM 9 OE2 GLU A 1 -24.493 0.002 -6.149 1.00 5.64 O ATOM 0 H1 GLU A 1 -22.288 -2.589 -5.695 1.00 4.07 H new ATOM 0 H2 GLU A 1 -20.616 -2.680 -5.417 1.00 4.07 H new ATOM 0 H3 GLU A 1 -21.632 -1.976 -4.254 1.00 4.07 H new ATOM 0 HA GLU A 1 -22.061 -0.682 -6.680 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -20.867 0.109 -4.008 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -21.044 1.264 -5.315 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -23.281 -0.294 -3.974 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -22.934 1.412 -3.772 1.00 4.80 H new ATOM 16 N GLU A 2 -19.757 0.350 -7.388 1.00 1.89 N ATOM 17 CA GLU A 2 -18.526 0.561 -8.125 1.00 1.43 C ATOM 18 C GLU A 2 -17.596 1.456 -7.328 1.00 1.13 C ATOM 19 O GLU A 2 -17.952 2.576 -6.981 1.00 1.31 O ATOM 20 CB GLU A 2 -18.825 1.191 -9.488 1.00 1.72 C ATOM 21 CG GLU A 2 -17.584 1.566 -10.282 1.00 1.73 C ATOM 22 CD GLU A 2 -17.913 2.262 -11.586 1.00 2.37 C ATOM 23 OE1 GLU A 2 -18.093 1.573 -12.608 1.00 2.54 O ATOM 24 OE2 GLU A 2 -17.995 3.509 -11.598 1.00 3.08 O ATOM 0 H GLU A 2 -20.468 1.063 -7.550 1.00 1.89 H new ATOM 0 HA GLU A 2 -18.041 -0.402 -8.286 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -19.423 0.494 -10.076 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -19.432 2.084 -9.339 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -16.953 2.217 -9.677 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -17.006 0.666 -10.491 1.00 1.73 H new ATOM 31 N CYS A 3 -16.418 0.955 -7.030 1.00 1.08 N ATOM 32 CA CYS A 3 -15.444 1.725 -6.283 1.00 0.96 C ATOM 33 C CYS A 3 -14.179 1.925 -7.090 1.00 0.83 C ATOM 34 O CYS A 3 -13.345 1.027 -7.190 1.00 0.96 O ATOM 35 CB CYS A 3 -15.126 1.052 -4.950 1.00 1.25 C ATOM 36 SG CYS A 3 -16.139 1.664 -3.570 1.00 1.43 S ATOM 0 H CYS A 3 -16.110 0.019 -7.292 1.00 1.08 H new ATOM 0 HA CYS A 3 -15.877 2.704 -6.078 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -15.274 -0.023 -5.050 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -14.073 1.208 -4.715 1.00 1.25 H new ATOM 41 N GLN A 4 -14.047 3.099 -7.679 1.00 0.67 N ATOM 42 CA GLN A 4 -12.864 3.420 -8.447 1.00 0.59 C ATOM 43 C GLN A 4 -11.798 3.969 -7.523 1.00 0.54 C ATOM 44 O GLN A 4 -11.927 5.079 -6.998 1.00 0.53 O ATOM 45 CB GLN A 4 -13.180 4.450 -9.533 1.00 0.59 C ATOM 46 CG GLN A 4 -14.274 4.024 -10.500 1.00 1.45 C ATOM 47 CD GLN A 4 -13.889 2.838 -11.369 1.00 1.65 C ATOM 48 OE1 GLN A 4 -13.120 1.964 -10.967 1.00 2.29 O ATOM 49 NE2 GLN A 4 -14.426 2.804 -12.577 1.00 1.92 N ATOM 0 H GLN A 4 -14.744 3.843 -7.639 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.506 2.510 -8.929 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.476 5.384 -9.056 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -12.271 4.655 -10.098 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -15.171 3.773 -9.933 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -14.528 4.867 -11.142 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -15.059 3.546 -12.875 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -14.207 2.035 -13.211 1.00 1.92 H new ATOM 58 N VAL A 5 -10.754 3.190 -7.314 1.00 0.56 N ATOM 59 CA VAL A 5 -9.644 3.633 -6.502 1.00 0.57 C ATOM 60 C VAL A 5 -8.554 4.195 -7.394 1.00 0.57 C ATOM 61 O VAL A 5 -7.931 3.470 -8.174 1.00 0.66 O ATOM 62 CB VAL A 5 -9.082 2.489 -5.630 1.00 0.68 C ATOM 63 CG1 VAL A 5 -7.897 2.968 -4.805 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.172 1.931 -4.727 1.00 1.51 C ATOM 0 H VAL A 5 -10.654 2.249 -7.696 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.005 4.411 -5.829 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.734 1.694 -6.289 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -7.519 2.145 -4.199 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.109 3.321 -5.471 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.213 3.783 -4.153 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -9.763 1.125 -4.118 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.547 2.722 -4.078 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -10.988 1.545 -5.338 1.00 1.51 H new ATOM 74 N ARG A 6 -8.351 5.495 -7.297 1.00 0.57 N ATOM 75 CA ARG A 6 -7.354 6.164 -8.103 1.00 0.64 C ATOM 76 C ARG A 6 -5.991 6.062 -7.451 1.00 0.58 C ATOM 77 O ARG A 6 -5.685 6.789 -6.508 1.00 0.65 O ATOM 78 CB ARG A 6 -7.726 7.628 -8.331 1.00 0.80 C ATOM 79 CG ARG A 6 -8.953 7.811 -9.207 1.00 1.47 C ATOM 80 CD ARG A 6 -8.748 7.191 -10.578 1.00 1.67 C ATOM 81 NE ARG A 6 -9.939 7.303 -11.413 1.00 1.92 N ATOM 82 CZ ARG A 6 -10.235 6.457 -12.399 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.416 5.448 -12.679 1.00 3.23 N ATOM 84 NH2 ARG A 6 -11.342 6.620 -13.108 1.00 3.57 N ATOM 0 H ARG A 6 -8.866 6.108 -6.665 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.316 5.668 -9.073 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -7.903 8.104 -7.367 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.882 8.142 -8.790 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -9.818 7.356 -8.725 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.171 8.874 -9.315 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -7.910 7.679 -11.075 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -8.483 6.140 -10.464 1.00 1.67 H new ATOM 0 HE ARG A 6 -10.582 8.073 -11.232 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -8.560 5.321 -12.139 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -9.643 4.801 -13.434 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -11.971 7.395 -12.900 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -11.565 5.970 -13.862 1.00 3.57 H new ATOM 98 N VAL A 7 -5.201 5.126 -7.937 1.00 0.58 N ATOM 99 CA VAL A 7 -3.836 4.974 -7.487 1.00 0.57 C ATOM 100 C VAL A 7 -2.893 5.201 -8.660 1.00 0.68 C ATOM 101 O VAL A 7 -2.930 4.474 -9.658 1.00 0.85 O ATOM 102 CB VAL A 7 -3.595 3.586 -6.835 1.00 0.64 C ATOM 103 CG1 VAL A 7 -3.917 2.452 -7.789 1.00 1.20 C ATOM 104 CG2 VAL A 7 -2.168 3.473 -6.316 1.00 1.26 C ATOM 0 H VAL A 7 -5.486 4.455 -8.650 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.638 5.719 -6.716 1.00 0.57 H new ATOM 0 HB VAL A 7 -4.276 3.500 -5.988 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -3.735 1.498 -7.295 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -4.964 2.513 -8.086 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -3.284 2.529 -8.673 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -2.022 2.492 -5.863 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -1.469 3.599 -7.143 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -1.990 4.247 -5.570 1.00 1.26 H new ATOM 114 N GLY A 8 -2.095 6.248 -8.562 1.00 0.77 N ATOM 115 CA GLY A 8 -1.188 6.580 -9.635 1.00 0.96 C ATOM 116 C GLY A 8 0.228 6.157 -9.332 1.00 0.75 C ATOM 117 O GLY A 8 0.479 5.437 -8.364 1.00 0.86 O ATOM 0 H GLY A 8 -2.059 6.875 -7.758 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.522 6.097 -10.554 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.215 7.655 -9.812 1.00 0.96 H new ATOM 121 N ASP A 9 1.153 6.602 -10.158 1.00 0.57 N ATOM 122 CA ASP A 9 2.555 6.297 -9.965 1.00 0.45 C ATOM 123 C ASP A 9 3.248 7.475 -9.312 1.00 0.50 C ATOM 124 O ASP A 9 2.933 8.632 -9.593 1.00 0.73 O ATOM 125 CB ASP A 9 3.235 5.956 -11.296 1.00 0.56 C ATOM 126 CG ASP A 9 3.213 7.106 -12.283 1.00 1.37 C ATOM 127 OD1 ASP A 9 4.147 7.937 -12.262 1.00 2.18 O ATOM 128 OD2 ASP A 9 2.271 7.173 -13.099 1.00 1.77 O ATOM 0 H ASP A 9 0.956 7.180 -10.975 1.00 0.57 H new ATOM 0 HA ASP A 9 2.632 5.425 -9.316 1.00 0.45 H new ATOM 0 HB2 ASP A 9 4.269 5.667 -11.106 1.00 0.56 H new ATOM 0 HB3 ASP A 9 2.739 5.093 -11.741 1.00 0.56 H new ATOM 133 N LEU A 10 4.172 7.181 -8.425 1.00 0.52 N ATOM 134 CA LEU A 10 4.915 8.215 -7.736 1.00 0.65 C ATOM 135 C LEU A 10 6.323 7.729 -7.438 1.00 0.49 C ATOM 136 O LEU A 10 6.512 6.650 -6.876 1.00 0.57 O ATOM 137 CB LEU A 10 4.209 8.650 -6.440 1.00 0.95 C ATOM 138 CG LEU A 10 3.928 7.542 -5.416 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.809 8.135 -4.020 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.652 6.787 -5.769 1.00 1.41 C ATOM 0 H LEU A 10 4.429 6.229 -8.162 1.00 0.52 H new ATOM 0 HA LEU A 10 4.967 9.087 -8.389 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.818 9.415 -5.958 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.261 9.118 -6.707 1.00 0.95 H new ATOM 0 HG LEU A 10 4.762 6.840 -5.437 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.610 7.339 -3.302 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.741 8.636 -3.757 1.00 1.05 H new ATOM 0 HD13 LEU A 10 2.991 8.855 -3.999 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.474 6.007 -5.029 1.00 1.41 H new ATOM 0 HD22 LEU A 10 1.810 7.479 -5.776 1.00 1.41 H new ATOM 0 HD23 LEU A 10 2.758 6.334 -6.755 1.00 1.41 H new ATOM 152 N THR A 11 7.303 8.510 -7.849 1.00 0.49 N ATOM 153 CA THR A 11 8.693 8.167 -7.628 1.00 0.47 C ATOM 154 C THR A 11 9.309 9.086 -6.578 1.00 0.53 C ATOM 155 O THR A 11 9.416 10.296 -6.778 1.00 0.66 O ATOM 156 CB THR A 11 9.495 8.263 -8.935 1.00 0.63 C ATOM 157 OG1 THR A 11 8.845 7.500 -9.964 1.00 1.03 O ATOM 158 CG2 THR A 11 10.914 7.752 -8.735 1.00 0.99 C ATOM 0 H THR A 11 7.160 9.392 -8.341 1.00 0.49 H new ATOM 0 HA THR A 11 8.731 7.139 -7.269 1.00 0.47 H new ATOM 0 HB THR A 11 9.542 9.310 -9.234 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.360 7.566 -10.795 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.464 7.829 -9.673 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.412 8.350 -7.972 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.884 6.710 -8.417 1.00 0.99 H new ATOM 166 N VAL A 12 9.703 8.507 -5.455 1.00 0.52 N ATOM 167 CA VAL A 12 10.281 9.271 -4.362 1.00 0.63 C ATOM 168 C VAL A 12 11.666 8.738 -4.024 1.00 0.48 C ATOM 169 O VAL A 12 11.813 7.579 -3.631 1.00 0.57 O ATOM 170 CB VAL A 12 9.391 9.214 -3.099 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.956 10.093 -1.994 1.00 1.45 C ATOM 172 CG2 VAL A 12 7.963 9.626 -3.423 1.00 1.45 C ATOM 0 H VAL A 12 9.632 7.505 -5.277 1.00 0.52 H new ATOM 0 HA VAL A 12 10.353 10.309 -4.688 1.00 0.63 H new ATOM 0 HB VAL A 12 9.381 8.183 -2.746 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.311 10.035 -1.117 1.00 1.45 H new ATOM 0 HG12 VAL A 12 10.957 9.750 -1.732 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.006 11.125 -2.340 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.356 9.578 -2.519 1.00 1.45 H new ATOM 0 HG22 VAL A 12 7.957 10.645 -3.810 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.551 8.951 -4.173 1.00 1.45 H new ATOM 182 N ALA A 13 12.679 9.576 -4.182 1.00 0.44 N ATOM 183 CA ALA A 13 14.046 9.169 -3.900 1.00 0.43 C ATOM 184 C ALA A 13 14.419 9.482 -2.458 1.00 0.45 C ATOM 185 O ALA A 13 14.784 10.613 -2.128 1.00 0.57 O ATOM 186 CB ALA A 13 15.013 9.839 -4.862 1.00 0.59 C ATOM 0 H ALA A 13 12.581 10.539 -4.503 1.00 0.44 H new ATOM 0 HA ALA A 13 14.115 8.090 -4.040 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.031 9.522 -4.635 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.764 9.555 -5.885 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.939 10.921 -4.758 1.00 0.59 H new ATOM 192 N LYS A 14 14.305 8.472 -1.605 1.00 0.43 N ATOM 193 CA LYS A 14 14.637 8.590 -0.187 1.00 0.50 C ATOM 194 C LYS A 14 15.266 7.289 0.297 1.00 0.41 C ATOM 195 O LYS A 14 15.516 6.385 -0.500 1.00 0.41 O ATOM 196 CB LYS A 14 13.387 8.892 0.656 1.00 0.67 C ATOM 197 CG LYS A 14 12.722 10.228 0.352 1.00 1.47 C ATOM 198 CD LYS A 14 13.645 11.402 0.642 1.00 2.23 C ATOM 199 CE LYS A 14 12.975 12.729 0.320 1.00 2.52 C ATOM 200 NZ LYS A 14 13.928 13.868 0.396 1.00 3.42 N ATOM 0 H LYS A 14 13.979 7.544 -1.876 1.00 0.43 H new ATOM 0 HA LYS A 14 15.339 9.416 -0.070 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.659 8.096 0.500 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.663 8.870 1.710 1.00 0.67 H new ATOM 0 HG2 LYS A 14 12.421 10.253 -0.695 1.00 1.47 H new ATOM 0 HG3 LYS A 14 11.814 10.325 0.947 1.00 1.47 H new ATOM 0 HD2 LYS A 14 13.937 11.386 1.692 1.00 2.23 H new ATOM 0 HD3 LYS A 14 14.558 11.302 0.055 1.00 2.23 H new ATOM 0 HE2 LYS A 14 12.543 12.684 -0.680 1.00 2.52 H new ATOM 0 HE3 LYS A 14 12.152 12.898 1.015 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 13.430 14.753 0.170 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 14.321 13.928 1.357 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 14.700 13.721 -0.285 1.00 3.42 H new ATOM 214 N THR A 15 15.520 7.197 1.595 1.00 0.46 N ATOM 215 CA THR A 15 16.042 5.982 2.197 1.00 0.44 C ATOM 216 C THR A 15 14.913 5.205 2.880 1.00 0.44 C ATOM 217 O THR A 15 13.866 5.772 3.178 1.00 0.50 O ATOM 218 CB THR A 15 17.145 6.316 3.219 1.00 0.49 C ATOM 219 OG1 THR A 15 16.696 7.355 4.097 1.00 0.63 O ATOM 220 CG2 THR A 15 18.423 6.754 2.520 1.00 0.52 C ATOM 0 H THR A 15 15.370 7.959 2.256 1.00 0.46 H new ATOM 0 HA THR A 15 16.473 5.364 1.409 1.00 0.44 H new ATOM 0 HB THR A 15 17.359 5.416 3.795 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.401 7.562 4.746 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.185 6.984 3.265 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.778 5.951 1.874 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.223 7.642 1.920 1.00 0.52 H new ATOM 228 N ARG A 16 15.112 3.906 3.116 1.00 0.40 N ATOM 229 CA ARG A 16 14.070 3.094 3.755 1.00 0.43 C ATOM 230 C ARG A 16 14.187 3.195 5.269 1.00 0.46 C ATOM 231 O ARG A 16 13.210 3.011 5.993 1.00 0.55 O ATOM 232 CB ARG A 16 14.132 1.616 3.333 1.00 0.50 C ATOM 233 CG ARG A 16 14.045 1.385 1.833 1.00 0.57 C ATOM 234 CD ARG A 16 15.414 1.454 1.181 1.00 0.68 C ATOM 235 NE ARG A 16 15.333 1.538 -0.273 1.00 1.22 N ATOM 236 CZ ARG A 16 15.209 2.684 -0.943 1.00 2.43 C ATOM 237 NH1 ARG A 16 15.075 3.819 -0.280 1.00 3.01 N ATOM 238 NH2 ARG A 16 15.191 2.691 -2.272 1.00 3.14 N ATOM 0 H ARG A 16 15.966 3.401 2.881 1.00 0.40 H new ATOM 0 HA ARG A 16 13.110 3.490 3.424 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.063 1.185 3.701 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.318 1.078 3.819 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.597 0.411 1.639 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.389 2.132 1.386 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.952 2.321 1.563 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.991 0.572 1.460 1.00 0.68 H new ATOM 0 HE ARG A 16 15.374 0.670 -0.808 1.00 1.22 H new ATOM 0 HH11 ARG A 16 15.067 3.816 0.740 1.00 3.01 H new ATOM 0 HH12 ARG A 16 14.980 4.698 -0.788 1.00 3.01 H new ATOM 0 HH21 ARG A 16 15.272 1.815 -2.788 1.00 3.14 H new ATOM 0 HH22 ARG A 16 15.096 3.573 -2.776 1.00 3.14 H new ATOM 252 N GLY A 17 15.397 3.475 5.742 1.00 0.47 N ATOM 253 CA GLY A 17 15.612 3.688 7.162 1.00 0.58 C ATOM 254 C GLY A 17 14.883 4.919 7.658 1.00 0.61 C ATOM 255 O GLY A 17 14.475 4.983 8.819 1.00 0.75 O ATOM 0 H GLY A 17 16.235 3.558 5.166 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.271 2.814 7.717 1.00 0.58 H new ATOM 0 HA3 GLY A 17 16.679 3.793 7.357 1.00 0.58 H new ATOM 259 N GLN A 18 14.705 5.874 6.749 1.00 0.58 N ATOM 260 CA GLN A 18 13.969 7.110 7.008 1.00 0.70 C ATOM 261 C GLN A 18 12.597 6.826 7.613 1.00 0.64 C ATOM 262 O GLN A 18 12.109 7.570 8.469 1.00 0.72 O ATOM 263 CB GLN A 18 13.784 7.858 5.682 1.00 0.86 C ATOM 264 CG GLN A 18 13.026 9.172 5.788 1.00 1.02 C ATOM 265 CD GLN A 18 13.898 10.301 6.305 1.00 1.49 C ATOM 266 OE1 GLN A 18 14.577 10.978 5.534 1.00 2.00 O ATOM 267 NE2 GLN A 18 13.869 10.526 7.608 1.00 2.17 N ATOM 0 H GLN A 18 15.072 5.811 5.799 1.00 0.58 H new ATOM 0 HA GLN A 18 14.538 7.709 7.719 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.766 8.056 5.253 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.257 7.207 4.985 1.00 0.86 H new ATOM 0 HG2 GLN A 18 12.631 9.441 4.808 1.00 1.02 H new ATOM 0 HG3 GLN A 18 12.171 9.043 6.452 1.00 1.02 H new ATOM 0 HE21 GLN A 18 13.293 9.942 8.214 1.00 2.17 H new ATOM 0 HE22 GLN A 18 14.423 11.284 8.007 1.00 2.17 H new ATOM 276 N LEU A 19 11.997 5.727 7.180 1.00 0.60 N ATOM 277 CA LEU A 19 10.611 5.425 7.498 1.00 0.62 C ATOM 278 C LEU A 19 10.408 5.059 8.958 1.00 0.78 C ATOM 279 O LEU A 19 9.281 5.077 9.430 1.00 1.61 O ATOM 280 CB LEU A 19 10.099 4.321 6.582 1.00 0.62 C ATOM 281 CG LEU A 19 10.217 4.643 5.093 1.00 0.52 C ATOM 282 CD1 LEU A 19 9.549 3.575 4.242 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.612 6.001 4.813 1.00 0.89 C ATOM 0 H LEU A 19 12.455 5.023 6.601 1.00 0.60 H new ATOM 0 HA LEU A 19 10.032 6.333 7.329 1.00 0.62 H new ATOM 0 HB2 LEU A 19 10.652 3.405 6.790 1.00 0.62 H new ATOM 0 HB3 LEU A 19 9.054 4.123 6.818 1.00 0.62 H new ATOM 0 HG LEU A 19 11.274 4.661 4.828 1.00 0.52 H new ATOM 0 HD11 LEU A 19 9.650 3.834 3.188 1.00 0.92 H new ATOM 0 HD12 LEU A 19 10.025 2.612 4.427 1.00 0.92 H new ATOM 0 HD13 LEU A 19 8.492 3.513 4.500 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.699 6.226 3.750 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.560 5.996 5.098 1.00 0.89 H new ATOM 0 HD23 LEU A 19 10.141 6.761 5.389 1.00 0.89 H new ATOM 295 N THR A 20 11.500 4.710 9.637 1.00 0.68 N ATOM 296 CA THR A 20 11.521 4.503 11.093 1.00 0.69 C ATOM 297 C THR A 20 10.210 3.909 11.628 1.00 0.66 C ATOM 298 O THR A 20 9.569 4.484 12.508 1.00 0.73 O ATOM 299 CB THR A 20 11.821 5.834 11.810 1.00 0.80 C ATOM 300 OG1 THR A 20 12.879 6.518 11.126 1.00 1.51 O ATOM 301 CG2 THR A 20 12.239 5.599 13.254 1.00 1.65 C ATOM 0 H THR A 20 12.406 4.560 9.192 1.00 0.68 H new ATOM 0 HA THR A 20 12.310 3.780 11.300 1.00 0.69 H new ATOM 0 HB THR A 20 10.912 6.435 11.803 1.00 0.80 H new ATOM 0 HG1 THR A 20 12.538 6.892 10.287 1.00 1.51 H new ATOM 0 HG21 THR A 20 12.444 6.556 13.734 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.436 5.090 13.787 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.137 4.982 13.277 1.00 1.65 H new ATOM 309 N ASP A 21 9.822 2.770 11.063 1.00 0.61 N ATOM 310 CA ASP A 21 8.568 2.095 11.396 1.00 0.61 C ATOM 311 C ASP A 21 7.354 2.867 10.882 1.00 0.58 C ATOM 312 O ASP A 21 6.615 2.364 10.039 1.00 0.73 O ATOM 313 CB ASP A 21 8.425 1.825 12.897 1.00 0.69 C ATOM 314 CG ASP A 21 7.090 1.182 13.228 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.825 0.062 12.737 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.297 1.796 13.972 1.00 1.83 O ATOM 0 H ASP A 21 10.372 2.284 10.355 1.00 0.61 H new ATOM 0 HA ASP A 21 8.605 1.131 10.889 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.234 1.174 13.228 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.524 2.761 13.446 1.00 0.69 H new ATOM 321 N ALA A 22 7.143 4.080 11.370 1.00 0.65 N ATOM 322 CA ALA A 22 5.990 4.856 10.945 1.00 0.68 C ATOM 323 C ALA A 22 6.334 6.326 10.738 1.00 0.62 C ATOM 324 O ALA A 22 5.927 7.194 11.512 1.00 0.72 O ATOM 325 CB ALA A 22 4.843 4.710 11.932 1.00 0.82 C ATOM 0 H ALA A 22 7.746 4.542 12.051 1.00 0.65 H new ATOM 0 HA ALA A 22 5.674 4.456 9.982 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.992 5.300 11.591 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.553 3.661 12.000 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.160 5.063 12.913 1.00 0.82 H new ATOM 331 N ALA A 23 7.108 6.585 9.702 1.00 0.59 N ATOM 332 CA ALA A 23 7.394 7.941 9.267 1.00 0.59 C ATOM 333 C ALA A 23 7.203 8.030 7.760 1.00 0.64 C ATOM 334 O ALA A 23 8.072 7.628 6.991 1.00 0.79 O ATOM 335 CB ALA A 23 8.804 8.355 9.665 1.00 0.71 C ATOM 0 H ALA A 23 7.556 5.863 9.138 1.00 0.59 H new ATOM 0 HA ALA A 23 6.705 8.629 9.757 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.993 9.374 9.328 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.905 8.307 10.749 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.525 7.680 9.203 1.00 0.71 H new ATOM 341 N PRO A 24 6.038 8.525 7.324 1.00 0.62 N ATOM 342 CA PRO A 24 5.655 8.526 5.909 1.00 0.72 C ATOM 343 C PRO A 24 6.468 9.496 5.063 1.00 0.78 C ATOM 344 O PRO A 24 6.467 10.705 5.302 1.00 1.12 O ATOM 345 CB PRO A 24 4.188 8.955 5.936 1.00 0.79 C ATOM 346 CG PRO A 24 4.045 9.741 7.194 1.00 0.75 C ATOM 347 CD PRO A 24 4.995 9.122 8.180 1.00 0.63 C ATOM 0 HA PRO A 24 5.830 7.551 5.455 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.936 9.557 5.063 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.523 8.091 5.931 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.285 10.791 7.027 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.020 9.703 7.563 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.410 9.867 8.859 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.501 8.370 8.795 1.00 0.63 H new ATOM 355 N ILE A 25 7.164 8.958 4.073 1.00 0.58 N ATOM 356 CA ILE A 25 7.871 9.789 3.109 1.00 0.64 C ATOM 357 C ILE A 25 6.930 10.322 2.033 1.00 0.59 C ATOM 358 O ILE A 25 6.695 11.526 1.939 1.00 0.95 O ATOM 359 CB ILE A 25 9.029 9.044 2.416 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.665 7.583 2.154 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.309 9.161 3.232 1.00 1.37 C ATOM 362 CD1 ILE A 25 9.701 6.829 1.346 1.00 2.58 C ATOM 0 H ILE A 25 7.255 7.954 3.916 1.00 0.58 H new ATOM 0 HA ILE A 25 8.283 10.616 3.687 1.00 0.64 H new ATOM 0 HB ILE A 25 9.206 9.514 1.449 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.524 7.077 3.109 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.710 7.545 1.629 1.00 1.73 H new ATOM 0 HG21 ILE A 25 11.114 8.628 2.725 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.579 10.212 3.337 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.152 8.727 4.219 1.00 1.37 H new ATOM 0 HD11 ILE A 25 9.372 5.800 1.202 1.00 2.58 H new ATOM 0 HD12 ILE A 25 9.826 7.310 0.376 1.00 2.58 H new ATOM 0 HD13 ILE A 25 10.652 6.834 1.879 1.00 2.58 H new ATOM 374 N GLY A 26 6.385 9.418 1.233 1.00 0.62 N ATOM 375 CA GLY A 26 5.550 9.817 0.123 1.00 0.74 C ATOM 376 C GLY A 26 4.139 9.297 0.263 1.00 0.56 C ATOM 377 O GLY A 26 3.888 8.115 0.032 1.00 0.65 O ATOM 0 H GLY A 26 6.508 8.411 1.335 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.531 10.905 0.056 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.982 9.448 -0.807 1.00 0.74 H new ATOM 381 N PRO A 27 3.204 10.150 0.686 1.00 0.48 N ATOM 382 CA PRO A 27 1.801 9.776 0.804 1.00 0.44 C ATOM 383 C PRO A 27 1.141 9.587 -0.559 1.00 0.48 C ATOM 384 O PRO A 27 1.122 10.500 -1.389 1.00 0.61 O ATOM 385 CB PRO A 27 1.166 10.946 1.556 1.00 0.51 C ATOM 386 CG PRO A 27 2.069 12.106 1.308 1.00 0.66 C ATOM 387 CD PRO A 27 3.449 11.541 1.097 1.00 0.67 C ATOM 0 HA PRO A 27 1.679 8.822 1.316 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.158 11.147 1.193 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.084 10.731 2.622 1.00 0.51 H new ATOM 0 HG2 PRO A 27 1.744 12.670 0.434 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.057 12.794 2.154 1.00 0.66 H new ATOM 0 HD2 PRO A 27 3.994 12.093 0.332 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.044 11.589 2.009 1.00 0.67 H new ATOM 395 N VAL A 28 0.623 8.393 -0.788 1.00 0.45 N ATOM 396 CA VAL A 28 -0.094 8.094 -2.012 1.00 0.54 C ATOM 397 C VAL A 28 -1.492 8.687 -1.937 1.00 0.57 C ATOM 398 O VAL A 28 -2.249 8.395 -1.008 1.00 0.58 O ATOM 399 CB VAL A 28 -0.199 6.572 -2.257 1.00 0.65 C ATOM 400 CG1 VAL A 28 -0.869 6.283 -3.593 1.00 1.18 C ATOM 401 CG2 VAL A 28 1.175 5.920 -2.189 1.00 1.07 C ATOM 0 H VAL A 28 0.687 7.611 -0.136 1.00 0.45 H new ATOM 0 HA VAL A 28 0.462 8.532 -2.841 1.00 0.54 H new ATOM 0 HB VAL A 28 -0.819 6.143 -1.469 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -0.932 5.205 -3.743 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -1.872 6.709 -3.596 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.283 6.728 -4.397 1.00 1.18 H new ATOM 0 HG21 VAL A 28 1.078 4.849 -2.364 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.822 6.355 -2.950 1.00 1.07 H new ATOM 0 HG23 VAL A 28 1.609 6.089 -1.204 1.00 1.07 H new ATOM 411 N THR A 29 -1.815 9.541 -2.890 1.00 0.61 N ATOM 412 CA THR A 29 -3.112 10.153 -2.952 1.00 0.67 C ATOM 413 C THR A 29 -4.149 9.147 -3.442 1.00 0.65 C ATOM 414 O THR A 29 -4.221 8.842 -4.633 1.00 0.75 O ATOM 415 CB THR A 29 -3.071 11.366 -3.890 1.00 0.79 C ATOM 416 OG1 THR A 29 -1.980 12.228 -3.529 1.00 1.64 O ATOM 417 CG2 THR A 29 -4.363 12.137 -3.814 1.00 1.37 C ATOM 0 H THR A 29 -1.181 9.824 -3.637 1.00 0.61 H new ATOM 0 HA THR A 29 -3.394 10.484 -1.953 1.00 0.67 H new ATOM 0 HB THR A 29 -2.932 11.007 -4.910 1.00 0.79 H new ATOM 0 HG1 THR A 29 -1.959 12.999 -4.133 1.00 1.64 H new ATOM 0 HG21 THR A 29 -4.315 12.994 -4.486 1.00 1.37 H new ATOM 0 HG22 THR A 29 -5.190 11.491 -4.108 1.00 1.37 H new ATOM 0 HG23 THR A 29 -4.520 12.485 -2.793 1.00 1.37 H new ATOM 425 N VAL A 30 -4.926 8.611 -2.514 1.00 0.62 N ATOM 426 CA VAL A 30 -5.944 7.637 -2.852 1.00 0.61 C ATOM 427 C VAL A 30 -7.289 8.315 -3.019 1.00 0.62 C ATOM 428 O VAL A 30 -7.856 8.832 -2.060 1.00 0.87 O ATOM 429 CB VAL A 30 -6.077 6.555 -1.763 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.104 5.505 -2.161 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.730 5.911 -1.483 1.00 1.01 C ATOM 0 H VAL A 30 -4.869 8.836 -1.521 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.638 7.167 -3.787 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.425 7.035 -0.848 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.179 4.753 -1.375 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.075 5.980 -2.302 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.795 5.028 -3.091 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.844 5.150 -0.711 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.351 5.450 -2.395 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.027 6.671 -1.142 1.00 1.01 H new ATOM 441 N GLN A 31 -7.802 8.289 -4.230 1.00 0.49 N ATOM 442 CA GLN A 31 -9.115 8.839 -4.509 1.00 0.52 C ATOM 443 C GLN A 31 -10.116 7.706 -4.646 1.00 0.49 C ATOM 444 O GLN A 31 -9.842 6.711 -5.317 1.00 0.54 O ATOM 445 CB GLN A 31 -9.093 9.673 -5.790 1.00 0.62 C ATOM 446 CG GLN A 31 -8.111 10.836 -5.760 1.00 1.15 C ATOM 447 CD GLN A 31 -8.421 11.840 -4.667 1.00 1.59 C ATOM 448 OE1 GLN A 31 -7.901 11.753 -3.555 1.00 2.48 O ATOM 449 NE2 GLN A 31 -9.274 12.801 -4.973 1.00 1.86 N ATOM 0 H GLN A 31 -7.329 7.892 -5.042 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.407 9.489 -3.684 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.844 9.023 -6.629 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -10.094 10.062 -5.974 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -7.102 10.450 -5.616 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -8.124 11.342 -6.726 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -9.685 12.840 -5.906 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -9.522 13.504 -4.276 1.00 1.86 H new ATOM 458 N ALA A 32 -11.263 7.850 -4.005 1.00 0.53 N ATOM 459 CA ALA A 32 -12.293 6.826 -4.055 1.00 0.54 C ATOM 460 C ALA A 32 -13.572 7.398 -4.640 1.00 0.56 C ATOM 461 O ALA A 32 -14.243 8.212 -4.004 1.00 0.70 O ATOM 462 CB ALA A 32 -12.545 6.252 -2.668 1.00 0.61 C ATOM 0 H ALA A 32 -11.505 8.666 -3.443 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.949 6.017 -4.699 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.319 5.487 -2.726 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.626 5.809 -2.285 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.871 7.048 -1.999 1.00 0.61 H new ATOM 468 N LEU A 33 -13.887 6.993 -5.859 1.00 0.54 N ATOM 469 CA LEU A 33 -15.060 7.505 -6.555 1.00 0.64 C ATOM 470 C LEU A 33 -16.086 6.399 -6.768 1.00 0.75 C ATOM 471 O LEU A 33 -15.740 5.286 -7.172 1.00 0.84 O ATOM 472 CB LEU A 33 -14.674 8.126 -7.908 1.00 0.74 C ATOM 473 CG LEU A 33 -13.833 9.409 -7.849 1.00 1.28 C ATOM 474 CD1 LEU A 33 -12.382 9.102 -7.501 1.00 1.90 C ATOM 475 CD2 LEU A 33 -13.913 10.157 -9.172 1.00 1.94 C ATOM 0 H LEU A 33 -13.347 6.310 -6.390 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.501 8.282 -5.930 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -14.123 7.381 -8.482 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -15.589 8.341 -8.460 1.00 0.74 H new ATOM 0 HG LEU A 33 -14.241 10.042 -7.061 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -11.812 10.030 -7.467 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -12.337 8.612 -6.528 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -11.958 8.443 -8.259 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -13.312 11.064 -9.114 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -13.535 9.521 -9.973 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -14.950 10.422 -9.378 1.00 1.94 H new ATOM 487 N GLY A 34 -17.343 6.713 -6.479 1.00 0.85 N ATOM 488 CA GLY A 34 -18.420 5.757 -6.670 1.00 1.06 C ATOM 489 C GLY A 34 -18.752 5.004 -5.397 1.00 0.98 C ATOM 490 O GLY A 34 -19.743 4.270 -5.333 1.00 1.81 O ATOM 0 H GLY A 34 -17.638 7.618 -6.113 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.309 6.280 -7.023 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.139 5.046 -7.447 1.00 1.06 H new ATOM 494 N CYS A 35 -17.932 5.201 -4.378 1.00 0.96 N ATOM 495 CA CYS A 35 -18.092 4.497 -3.120 1.00 0.86 C ATOM 496 C CYS A 35 -19.102 5.206 -2.231 1.00 0.96 C ATOM 497 O CYS A 35 -18.762 6.136 -1.504 1.00 1.88 O ATOM 498 CB CYS A 35 -16.756 4.390 -2.389 1.00 0.84 C ATOM 499 SG CYS A 35 -15.444 3.554 -3.330 1.00 1.18 S ATOM 0 H CYS A 35 -17.144 5.848 -4.400 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.457 3.495 -3.343 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.417 5.393 -2.130 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.911 3.854 -1.452 1.00 0.84 H new ATOM 504 N ASN A 36 -20.350 4.785 -2.306 1.00 0.79 N ATOM 505 CA ASN A 36 -21.376 5.333 -1.431 1.00 0.72 C ATOM 506 C ASN A 36 -21.572 4.431 -0.221 1.00 0.69 C ATOM 507 O ASN A 36 -22.095 4.857 0.808 1.00 0.80 O ATOM 508 CB ASN A 36 -22.703 5.513 -2.180 1.00 0.76 C ATOM 509 CG ASN A 36 -22.638 6.589 -3.253 1.00 1.29 C ATOM 510 OD1 ASN A 36 -21.591 6.830 -3.852 1.00 1.75 O ATOM 511 ND2 ASN A 36 -23.756 7.255 -3.498 1.00 2.14 N ATOM 0 H ASN A 36 -20.679 4.072 -2.957 1.00 0.79 H new ATOM 0 HA ASN A 36 -21.043 6.314 -1.092 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.986 4.566 -2.639 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.486 5.767 -1.465 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -23.766 7.993 -4.202 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -24.607 7.030 -2.983 1.00 2.14 H new ATOM 518 N ALA A 37 -21.121 3.188 -0.348 1.00 0.65 N ATOM 519 CA ALA A 37 -21.251 2.200 0.713 1.00 0.74 C ATOM 520 C ALA A 37 -20.390 0.986 0.403 1.00 0.70 C ATOM 521 O ALA A 37 -20.859 0.006 -0.173 1.00 0.94 O ATOM 522 CB ALA A 37 -22.702 1.784 0.892 1.00 0.93 C ATOM 0 H ALA A 37 -20.657 2.839 -1.187 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.909 2.650 1.645 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.773 1.045 1.690 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.301 2.657 1.151 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -23.074 1.351 -0.037 1.00 0.93 H new ATOM 528 N ARG A 38 -19.117 1.078 0.747 1.00 0.59 N ATOM 529 CA ARG A 38 -18.176 -0.001 0.490 1.00 0.61 C ATOM 530 C ARG A 38 -16.902 0.211 1.300 1.00 0.50 C ATOM 531 O ARG A 38 -16.535 1.350 1.597 1.00 0.50 O ATOM 532 CB ARG A 38 -17.826 -0.040 -1.001 1.00 0.71 C ATOM 533 CG ARG A 38 -17.150 -1.326 -1.467 1.00 0.98 C ATOM 534 CD ARG A 38 -18.098 -2.520 -1.462 1.00 2.02 C ATOM 535 NE ARG A 38 -18.277 -3.092 -0.129 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.451 -3.503 0.350 1.00 3.70 C ATOM 537 NH1 ARG A 38 -20.555 -3.387 -0.376 1.00 4.05 N ATOM 538 NH2 ARG A 38 -19.521 -4.031 1.560 1.00 4.64 N ATOM 0 H ARG A 38 -18.709 1.892 1.207 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.636 -0.945 0.783 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.740 0.103 -1.578 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.171 0.801 -1.228 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.758 -1.182 -2.474 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.299 -1.540 -0.821 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -19.067 -2.211 -1.853 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.713 -3.287 -2.134 1.00 2.02 H new ATOM 0 HE ARG A 38 -17.456 -3.182 0.469 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -20.511 -2.980 -1.310 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -21.448 -3.705 -0.000 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -18.677 -4.123 2.126 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -20.419 -4.346 1.928 1.00 4.64 H new ATOM 552 N GLN A 39 -16.242 -0.878 1.671 1.00 0.48 N ATOM 553 CA GLN A 39 -14.934 -0.791 2.296 1.00 0.42 C ATOM 554 C GLN A 39 -13.874 -0.597 1.218 1.00 0.42 C ATOM 555 O GLN A 39 -13.801 -1.376 0.265 1.00 0.62 O ATOM 556 CB GLN A 39 -14.593 -2.052 3.104 1.00 0.47 C ATOM 557 CG GLN A 39 -15.566 -2.409 4.225 1.00 0.64 C ATOM 558 CD GLN A 39 -16.912 -2.911 3.738 1.00 0.87 C ATOM 559 OE1 GLN A 39 -17.036 -3.446 2.635 1.00 1.75 O ATOM 560 NE2 GLN A 39 -17.923 -2.780 4.576 1.00 1.40 N ATOM 0 H GLN A 39 -16.592 -1.828 1.549 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.953 0.055 2.983 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.535 -2.896 2.417 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.601 -1.925 3.537 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.112 -3.173 4.857 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -15.722 -1.530 4.850 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -17.781 -2.331 5.481 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -18.847 -3.128 4.319 1.00 1.40 H new ATOM 569 N VAL A 40 -13.074 0.445 1.353 1.00 0.36 N ATOM 570 CA VAL A 40 -11.982 0.691 0.423 1.00 0.38 C ATOM 571 C VAL A 40 -10.707 0.059 0.960 1.00 0.35 C ATOM 572 O VAL A 40 -10.311 0.334 2.090 1.00 0.41 O ATOM 573 CB VAL A 40 -11.754 2.202 0.195 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.611 2.438 -0.783 1.00 0.49 C ATOM 575 CG2 VAL A 40 -13.029 2.863 -0.308 1.00 0.54 C ATOM 0 H VAL A 40 -13.158 1.137 2.098 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.249 0.245 -0.535 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.482 2.652 1.150 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.470 3.509 -0.927 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.695 2.002 -0.384 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.848 1.972 -1.739 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.850 3.927 -0.463 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.329 2.404 -1.250 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.822 2.732 0.428 1.00 0.54 H new ATOM 585 N ALA A 41 -10.082 -0.793 0.157 1.00 0.29 N ATOM 586 CA ALA A 41 -8.905 -1.518 0.584 1.00 0.28 C ATOM 587 C ALA A 41 -7.715 -1.188 -0.297 1.00 0.26 C ATOM 588 O ALA A 41 -7.859 -0.946 -1.495 1.00 0.35 O ATOM 589 CB ALA A 41 -9.167 -3.016 0.566 1.00 0.36 C ATOM 0 H ALA A 41 -10.377 -0.996 -0.798 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.674 -1.212 1.604 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.271 -3.546 0.890 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.991 -3.249 1.241 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.427 -3.328 -0.446 1.00 0.36 H new ATOM 595 N LEU A 42 -6.545 -1.184 0.304 1.00 0.27 N ATOM 596 CA LEU A 42 -5.308 -0.945 -0.412 1.00 0.31 C ATOM 597 C LEU A 42 -4.575 -2.264 -0.605 1.00 0.31 C ATOM 598 O LEU A 42 -4.222 -2.928 0.366 1.00 0.48 O ATOM 599 CB LEU A 42 -4.443 0.026 0.388 1.00 0.39 C ATOM 600 CG LEU A 42 -5.191 1.245 0.931 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.347 1.977 1.960 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.582 2.183 -0.202 1.00 0.84 C ATOM 0 H LEU A 42 -6.423 -1.346 1.304 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.521 -0.511 -1.389 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.995 -0.511 1.224 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.625 0.370 -0.245 1.00 0.39 H new ATOM 0 HG LEU A 42 -6.101 0.897 1.419 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.897 2.841 2.334 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -4.119 1.306 2.788 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.418 2.311 1.498 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -6.113 3.044 0.205 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.685 2.522 -0.720 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.229 1.656 -0.904 1.00 0.84 H new ATOM 614 N LYS A 43 -4.383 -2.659 -1.855 1.00 0.34 N ATOM 615 CA LYS A 43 -3.746 -3.930 -2.165 1.00 0.37 C ATOM 616 C LYS A 43 -2.476 -3.682 -2.948 1.00 0.38 C ATOM 617 O LYS A 43 -2.360 -2.682 -3.653 1.00 0.53 O ATOM 618 CB LYS A 43 -4.662 -4.849 -2.994 1.00 0.42 C ATOM 619 CG LYS A 43 -6.058 -5.048 -2.427 1.00 0.49 C ATOM 620 CD LYS A 43 -6.926 -3.826 -2.680 1.00 1.00 C ATOM 621 CE LYS A 43 -8.400 -4.145 -2.573 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.930 -4.760 -3.822 1.00 1.93 N ATOM 0 H LYS A 43 -4.660 -2.116 -2.673 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.529 -4.425 -1.218 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.750 -4.437 -3.999 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.183 -5.823 -3.089 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.518 -5.926 -2.881 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.996 -5.239 -1.356 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.671 -3.046 -1.963 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.712 -3.429 -3.672 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.564 -4.824 -1.737 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.954 -3.232 -2.355 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -9.967 -4.823 -3.765 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -8.663 -4.174 -4.638 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -8.531 -5.714 -3.936 1.00 1.93 H new ATOM 636 N ALA A 44 -1.527 -4.583 -2.822 1.00 0.36 N ATOM 637 CA ALA A 44 -0.310 -4.497 -3.595 1.00 0.37 C ATOM 638 C ALA A 44 -0.336 -5.512 -4.722 1.00 0.34 C ATOM 639 O ALA A 44 -1.062 -6.505 -4.658 1.00 0.36 O ATOM 640 CB ALA A 44 0.898 -4.712 -2.707 1.00 0.41 C ATOM 0 H ALA A 44 -1.575 -5.383 -2.191 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.239 -3.500 -4.029 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.806 -4.644 -3.306 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.918 -3.949 -1.929 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.840 -5.698 -2.246 1.00 0.41 H new ATOM 646 N ASP A 45 0.443 -5.253 -5.752 1.00 0.36 N ATOM 647 CA ASP A 45 0.550 -6.169 -6.873 1.00 0.39 C ATOM 648 C ASP A 45 1.412 -7.357 -6.475 1.00 0.37 C ATOM 649 O ASP A 45 2.296 -7.220 -5.633 1.00 0.35 O ATOM 650 CB ASP A 45 1.148 -5.463 -8.090 1.00 0.45 C ATOM 651 CG ASP A 45 1.205 -6.365 -9.306 1.00 0.57 C ATOM 652 OD1 ASP A 45 0.194 -6.437 -10.042 1.00 0.71 O ATOM 653 OD2 ASP A 45 2.245 -7.023 -9.516 1.00 0.64 O ATOM 0 H ASP A 45 1.014 -4.412 -5.838 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.446 -6.520 -7.141 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.554 -4.579 -8.323 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.153 -5.117 -7.849 1.00 0.45 H new ATOM 658 N THR A 46 1.165 -8.510 -7.093 1.00 0.47 N ATOM 659 CA THR A 46 1.830 -9.761 -6.722 1.00 0.55 C ATOM 660 C THR A 46 3.359 -9.659 -6.795 1.00 0.47 C ATOM 661 O THR A 46 4.067 -10.495 -6.232 1.00 0.56 O ATOM 662 CB THR A 46 1.350 -10.934 -7.608 1.00 0.76 C ATOM 663 OG1 THR A 46 2.020 -12.146 -7.240 1.00 1.40 O ATOM 664 CG2 THR A 46 1.595 -10.642 -9.082 1.00 0.99 C ATOM 0 H THR A 46 0.502 -8.605 -7.862 1.00 0.47 H new ATOM 0 HA THR A 46 1.554 -9.953 -5.685 1.00 0.55 H new ATOM 0 HB THR A 46 0.278 -11.053 -7.450 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.888 -11.931 -6.840 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.248 -11.483 -9.682 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.051 -9.742 -9.370 1.00 0.99 H new ATOM 0 HG23 THR A 46 2.661 -10.491 -9.251 1.00 0.99 H new ATOM 672 N ASP A 47 3.861 -8.638 -7.478 1.00 0.42 N ATOM 673 CA ASP A 47 5.299 -8.415 -7.584 1.00 0.50 C ATOM 674 C ASP A 47 5.902 -8.125 -6.209 1.00 0.43 C ATOM 675 O ASP A 47 7.044 -8.492 -5.927 1.00 0.47 O ATOM 676 CB ASP A 47 5.577 -7.245 -8.526 1.00 0.66 C ATOM 677 CG ASP A 47 6.735 -7.520 -9.457 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.900 -7.467 -9.012 1.00 1.72 O ATOM 679 OD2 ASP A 47 6.483 -7.801 -10.648 1.00 2.22 O ATOM 0 H ASP A 47 3.292 -7.948 -7.969 1.00 0.42 H new ATOM 0 HA ASP A 47 5.760 -9.318 -7.984 1.00 0.50 H new ATOM 0 HB2 ASP A 47 4.683 -7.035 -9.114 1.00 0.66 H new ATOM 0 HB3 ASP A 47 5.790 -6.352 -7.939 1.00 0.66 H new ATOM 684 N ASN A 48 5.114 -7.483 -5.356 1.00 0.38 N ATOM 685 CA ASN A 48 5.553 -7.095 -4.020 1.00 0.39 C ATOM 686 C ASN A 48 4.486 -7.458 -2.986 1.00 0.37 C ATOM 687 O ASN A 48 4.426 -6.876 -1.901 1.00 0.42 O ATOM 688 CB ASN A 48 5.845 -5.588 -3.979 1.00 0.50 C ATOM 689 CG ASN A 48 4.647 -4.749 -4.377 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.371 -4.566 -5.561 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.952 -4.199 -3.397 1.00 1.19 N ATOM 0 H ASN A 48 4.153 -7.216 -5.570 1.00 0.38 H new ATOM 0 HA ASN A 48 6.468 -7.636 -3.779 1.00 0.39 H new ATOM 0 HB2 ASN A 48 6.160 -5.310 -2.973 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.677 -5.365 -4.646 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.156 -3.599 -3.611 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.212 -4.375 -2.426 1.00 1.19 H new ATOM 698 N PHE A 49 3.662 -8.442 -3.335 1.00 0.35 N ATOM 699 CA PHE A 49 2.565 -8.898 -2.483 1.00 0.36 C ATOM 700 C PHE A 49 2.591 -10.421 -2.398 1.00 0.38 C ATOM 701 O PHE A 49 2.167 -11.112 -3.323 1.00 0.39 O ATOM 702 CB PHE A 49 1.237 -8.405 -3.081 1.00 0.38 C ATOM 703 CG PHE A 49 -0.032 -8.734 -2.330 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.439 -7.944 -1.264 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.779 -9.864 -2.640 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.561 -8.273 -0.525 1.00 0.42 C ATOM 707 CE2 PHE A 49 -1.906 -10.187 -1.910 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.440 -9.281 -1.043 1.00 0.46 C ATOM 0 H PHE A 49 3.735 -8.947 -4.218 1.00 0.35 H new ATOM 0 HA PHE A 49 2.671 -8.496 -1.476 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.296 -7.321 -3.183 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.148 -8.815 -4.087 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.128 -7.061 -1.008 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.475 -10.497 -3.461 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.769 -7.785 0.415 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.364 -11.158 -2.026 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.481 -9.320 -0.758 1.00 0.46 H new ATOM 718 N GLU A 50 3.110 -10.941 -1.296 1.00 0.44 N ATOM 719 CA GLU A 50 3.196 -12.383 -1.103 1.00 0.52 C ATOM 720 C GLU A 50 2.001 -12.883 -0.316 1.00 0.52 C ATOM 721 O GLU A 50 1.972 -12.738 0.909 1.00 0.54 O ATOM 722 CB GLU A 50 4.468 -12.777 -0.352 1.00 0.65 C ATOM 723 CG GLU A 50 5.751 -12.617 -1.141 1.00 1.22 C ATOM 724 CD GLU A 50 6.951 -13.102 -0.356 1.00 1.82 C ATOM 725 OE1 GLU A 50 7.164 -12.618 0.778 1.00 2.15 O ATOM 726 OE2 GLU A 50 7.664 -14.000 -0.850 1.00 2.41 O ATOM 0 H GLU A 50 3.478 -10.388 -0.522 1.00 0.44 H new ATOM 0 HA GLU A 50 3.213 -12.837 -2.094 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.539 -12.175 0.554 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.379 -13.817 -0.038 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.677 -13.174 -2.075 1.00 1.22 H new ATOM 0 HG3 GLU A 50 5.888 -11.569 -1.406 1.00 1.22 H new ATOM 733 N GLN A 51 1.017 -13.448 -1.023 1.00 0.63 N ATOM 734 CA GLN A 51 -0.181 -14.021 -0.395 1.00 0.76 C ATOM 735 C GLN A 51 -1.085 -12.926 0.172 1.00 0.72 C ATOM 736 O GLN A 51 -2.247 -12.800 -0.215 1.00 1.07 O ATOM 737 CB GLN A 51 0.210 -15.006 0.717 1.00 0.87 C ATOM 738 CG GLN A 51 -0.967 -15.534 1.522 1.00 1.71 C ATOM 739 CD GLN A 51 -0.545 -16.064 2.877 1.00 2.56 C ATOM 740 OE1 GLN A 51 0.569 -16.554 3.049 1.00 2.92 O ATOM 741 NE2 GLN A 51 -1.429 -15.951 3.853 1.00 3.43 N ATOM 0 H GLN A 51 1.026 -13.522 -2.040 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.734 -14.558 -1.166 1.00 0.76 H new ATOM 0 HB2 GLN A 51 0.739 -15.849 0.272 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.908 -14.514 1.394 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -1.698 -14.737 1.658 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -1.461 -16.328 0.962 1.00 1.71 H new ATOM 0 HE21 GLN A 51 -2.343 -15.538 3.668 1.00 3.43 H new ATOM 0 HE22 GLN A 51 -1.197 -16.277 4.791 1.00 3.43 H new ATOM 750 N GLY A 52 -0.530 -12.139 1.076 1.00 0.56 N ATOM 751 CA GLY A 52 -1.277 -11.100 1.739 1.00 0.52 C ATOM 752 C GLY A 52 -0.379 -10.227 2.582 1.00 0.48 C ATOM 753 O GLY A 52 -0.738 -9.837 3.689 1.00 0.52 O ATOM 0 H GLY A 52 0.446 -12.206 1.366 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.789 -10.488 0.997 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.046 -11.548 2.368 1.00 0.52 H new ATOM 757 N LYS A 53 0.815 -9.960 2.072 1.00 0.47 N ATOM 758 CA LYS A 53 1.715 -9.017 2.684 1.00 0.47 C ATOM 759 C LYS A 53 2.328 -8.142 1.598 1.00 0.42 C ATOM 760 O LYS A 53 2.768 -8.659 0.569 1.00 0.41 O ATOM 761 CB LYS A 53 2.827 -9.766 3.410 1.00 0.53 C ATOM 762 CG LYS A 53 2.852 -9.575 4.921 1.00 1.01 C ATOM 763 CD LYS A 53 1.732 -10.343 5.604 1.00 0.65 C ATOM 764 CE LYS A 53 1.836 -10.275 7.122 1.00 1.27 C ATOM 765 NZ LYS A 53 3.127 -10.819 7.620 1.00 2.12 N ATOM 0 H LYS A 53 1.178 -10.395 1.224 1.00 0.47 H new ATOM 0 HA LYS A 53 1.168 -8.400 3.398 1.00 0.47 H new ATOM 0 HB2 LYS A 53 2.728 -10.830 3.195 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.786 -9.446 3.003 1.00 0.53 H new ATOM 0 HG2 LYS A 53 3.813 -9.907 5.314 1.00 1.01 H new ATOM 0 HG3 LYS A 53 2.761 -8.514 5.155 1.00 1.01 H new ATOM 0 HD2 LYS A 53 0.770 -9.939 5.288 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.760 -11.385 5.285 1.00 0.65 H new ATOM 0 HE2 LYS A 53 1.731 -9.240 7.446 1.00 1.27 H new ATOM 0 HE3 LYS A 53 1.012 -10.834 7.567 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 3.044 -11.038 8.633 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 3.363 -11.686 7.097 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 3.878 -10.114 7.479 1.00 2.12 H new ATOM 779 N PHE A 54 2.361 -6.835 1.817 1.00 0.44 N ATOM 780 CA PHE A 54 3.024 -5.932 0.886 1.00 0.41 C ATOM 781 C PHE A 54 4.343 -5.434 1.457 1.00 0.39 C ATOM 782 O PHE A 54 4.464 -5.177 2.656 1.00 0.44 O ATOM 783 CB PHE A 54 2.126 -4.752 0.469 1.00 0.43 C ATOM 784 CG PHE A 54 1.229 -4.185 1.540 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.778 -3.700 2.716 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.147 -4.157 1.392 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.974 -3.192 3.719 1.00 0.56 C ATOM 788 CE2 PHE A 54 -0.956 -3.651 2.395 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.460 -3.114 3.473 1.00 0.51 C ATOM 0 H PHE A 54 1.939 -6.378 2.626 1.00 0.44 H new ATOM 0 HA PHE A 54 3.232 -6.507 -0.017 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.765 -3.950 0.098 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.502 -5.075 -0.365 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.849 -3.719 2.851 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.594 -4.534 0.484 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.396 -2.863 4.657 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.029 -3.703 2.280 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.107 -2.615 4.179 1.00 0.51 H new ATOM 799 N PHE A 55 5.335 -5.317 0.590 1.00 0.37 N ATOM 800 CA PHE A 55 6.671 -4.911 0.999 1.00 0.36 C ATOM 801 C PHE A 55 7.361 -4.106 -0.092 1.00 0.42 C ATOM 802 O PHE A 55 6.903 -4.059 -1.234 1.00 0.55 O ATOM 803 CB PHE A 55 7.522 -6.144 1.338 1.00 0.36 C ATOM 804 CG PHE A 55 7.430 -7.246 0.328 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.197 -7.203 -0.821 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.580 -8.320 0.525 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.119 -8.209 -1.758 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.496 -9.334 -0.409 1.00 0.59 C ATOM 809 CZ PHE A 55 7.251 -9.299 -1.529 1.00 0.54 C ATOM 0 H PHE A 55 5.240 -5.499 -0.409 1.00 0.37 H new ATOM 0 HA PHE A 55 6.569 -4.282 1.884 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.564 -5.838 1.433 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.213 -6.529 2.310 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.865 -6.371 -0.986 1.00 0.41 H new ATOM 0 HD2 PHE A 55 5.976 -8.366 1.419 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.715 -8.165 -2.658 1.00 0.48 H new ATOM 0 HE2 PHE A 55 5.822 -10.161 -0.243 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.191 -10.103 -2.248 1.00 0.54 H new ATOM 819 N LEU A 56 8.461 -3.470 0.280 1.00 0.37 N ATOM 820 CA LEU A 56 9.334 -2.813 -0.677 1.00 0.44 C ATOM 821 C LEU A 56 10.306 -3.845 -1.230 1.00 0.44 C ATOM 822 O LEU A 56 11.143 -4.355 -0.488 1.00 0.53 O ATOM 823 CB LEU A 56 10.136 -1.695 0.002 1.00 0.53 C ATOM 824 CG LEU A 56 9.339 -0.751 0.898 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.273 0.033 1.802 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.504 0.200 0.062 1.00 1.27 C ATOM 0 H LEU A 56 8.772 -3.395 1.249 1.00 0.37 H new ATOM 0 HA LEU A 56 8.729 -2.379 -1.473 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.925 -2.152 0.600 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.625 -1.103 -0.772 1.00 0.53 H new ATOM 0 HG LEU A 56 8.670 -1.349 1.517 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.690 0.702 2.435 1.00 1.53 H new ATOM 0 HD12 LEU A 56 10.838 -0.658 2.428 1.00 1.53 H new ATOM 0 HD13 LEU A 56 10.962 0.618 1.193 1.00 1.53 H new ATOM 0 HD21 LEU A 56 7.943 0.865 0.719 1.00 1.27 H new ATOM 0 HD22 LEU A 56 9.158 0.791 -0.580 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.810 -0.371 -0.555 1.00 1.27 H new ATOM 838 N ILE A 57 10.207 -4.162 -2.510 1.00 0.42 N ATOM 839 CA ILE A 57 11.091 -5.164 -3.090 1.00 0.45 C ATOM 840 C ILE A 57 12.152 -4.507 -3.976 1.00 0.46 C ATOM 841 O ILE A 57 11.845 -3.735 -4.887 1.00 0.52 O ATOM 842 CB ILE A 57 10.312 -6.250 -3.877 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.268 -7.300 -4.451 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.470 -5.638 -4.984 1.00 0.62 C ATOM 845 CD1 ILE A 57 12.012 -8.089 -3.394 1.00 0.57 C ATOM 0 H ILE A 57 9.537 -3.750 -3.159 1.00 0.42 H new ATOM 0 HA ILE A 57 11.591 -5.666 -2.262 1.00 0.45 H new ATOM 0 HB ILE A 57 9.638 -6.742 -3.175 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.702 -7.991 -5.076 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.992 -6.804 -5.098 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.938 -6.427 -5.515 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.751 -4.943 -4.552 1.00 0.62 H new ATOM 0 HG23 ILE A 57 10.117 -5.105 -5.681 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.669 -8.813 -3.876 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.606 -7.409 -2.783 1.00 0.57 H new ATOM 0 HD13 ILE A 57 11.297 -8.614 -2.761 1.00 0.57 H new ATOM 857 N SER A 58 13.402 -4.808 -3.667 1.00 0.52 N ATOM 858 CA SER A 58 14.542 -4.218 -4.348 1.00 0.62 C ATOM 859 C SER A 58 14.868 -4.971 -5.629 1.00 0.72 C ATOM 860 O SER A 58 14.580 -6.161 -5.752 1.00 0.77 O ATOM 861 CB SER A 58 15.758 -4.228 -3.413 1.00 0.78 C ATOM 862 OG SER A 58 16.921 -3.729 -4.058 1.00 1.44 O ATOM 0 H SER A 58 13.656 -5.471 -2.934 1.00 0.52 H new ATOM 0 HA SER A 58 14.290 -3.192 -4.615 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.544 -3.624 -2.531 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.942 -5.245 -3.066 1.00 0.78 H new ATOM 0 HG SER A 58 17.675 -3.748 -3.433 1.00 1.44 H new ATOM 868 N ASP A 59 15.470 -4.260 -6.570 1.00 0.97 N ATOM 869 CA ASP A 59 15.959 -4.849 -7.809 1.00 1.18 C ATOM 870 C ASP A 59 16.987 -5.940 -7.510 1.00 1.20 C ATOM 871 O ASP A 59 17.053 -6.958 -8.195 1.00 1.34 O ATOM 872 CB ASP A 59 16.589 -3.759 -8.679 1.00 1.57 C ATOM 873 CG ASP A 59 17.050 -4.271 -10.028 1.00 1.80 C ATOM 874 OD1 ASP A 59 18.189 -4.778 -10.118 1.00 2.31 O ATOM 875 OD2 ASP A 59 16.276 -4.181 -11.003 1.00 2.17 O ATOM 0 H ASP A 59 15.634 -3.256 -6.497 1.00 0.97 H new ATOM 0 HA ASP A 59 15.122 -5.299 -8.343 1.00 1.18 H new ATOM 0 HB2 ASP A 59 15.865 -2.958 -8.829 1.00 1.57 H new ATOM 0 HB3 ASP A 59 17.439 -3.326 -8.151 1.00 1.57 H new ATOM 880 N ASN A 60 17.777 -5.716 -6.463 1.00 1.26 N ATOM 881 CA ASN A 60 18.783 -6.682 -6.029 1.00 1.52 C ATOM 882 C ASN A 60 18.138 -7.819 -5.245 1.00 1.40 C ATOM 883 O ASN A 60 18.769 -8.842 -4.987 1.00 1.74 O ATOM 884 CB ASN A 60 19.842 -6.000 -5.156 1.00 1.82 C ATOM 885 CG ASN A 60 20.691 -5.014 -5.930 1.00 2.52 C ATOM 886 OD1 ASN A 60 20.348 -3.837 -6.045 1.00 3.09 O ATOM 887 ND2 ASN A 60 21.807 -5.481 -6.462 1.00 3.05 N ATOM 0 H ASN A 60 17.739 -4.869 -5.896 1.00 1.26 H new ATOM 0 HA ASN A 60 19.260 -7.090 -6.920 1.00 1.52 H new ATOM 0 HB2 ASN A 60 19.350 -5.482 -4.333 1.00 1.82 H new ATOM 0 HB3 ASN A 60 20.487 -6.760 -4.714 1.00 1.82 H new ATOM 0 HD21 ASN A 60 22.419 -4.859 -6.990 1.00 3.05 H new ATOM 0 HD22 ASN A 60 22.056 -6.463 -6.344 1.00 3.05 H new ATOM 894 N ASN A 61 16.879 -7.612 -4.858 1.00 1.11 N ATOM 895 CA ASN A 61 16.114 -8.580 -4.065 1.00 1.06 C ATOM 896 C ASN A 61 16.871 -8.971 -2.790 1.00 1.11 C ATOM 897 O ASN A 61 16.739 -10.081 -2.280 1.00 1.55 O ATOM 898 CB ASN A 61 15.779 -9.822 -4.907 1.00 1.29 C ATOM 899 CG ASN A 61 14.569 -10.587 -4.379 1.00 1.85 C ATOM 900 OD1 ASN A 61 14.283 -10.585 -3.182 1.00 2.62 O ATOM 901 ND2 ASN A 61 13.846 -11.243 -5.273 1.00 2.37 N ATOM 0 H ASN A 61 16.357 -6.766 -5.086 1.00 1.11 H new ATOM 0 HA ASN A 61 15.179 -8.108 -3.764 1.00 1.06 H new ATOM 0 HB2 ASN A 61 15.589 -9.517 -5.936 1.00 1.29 H new ATOM 0 HB3 ASN A 61 16.643 -10.486 -4.926 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.023 -11.768 -4.977 1.00 2.37 H new ATOM 0 HD22 ASN A 61 14.112 -11.223 -6.258 1.00 2.37 H new ATOM 908 N ARG A 62 17.665 -8.046 -2.268 1.00 0.98 N ATOM 909 CA ARG A 62 18.344 -8.272 -1.002 1.00 1.06 C ATOM 910 C ARG A 62 17.415 -7.934 0.149 1.00 0.90 C ATOM 911 O ARG A 62 17.356 -8.646 1.153 1.00 1.01 O ATOM 912 CB ARG A 62 19.624 -7.439 -0.905 1.00 1.27 C ATOM 913 CG ARG A 62 20.719 -7.851 -1.880 1.00 1.79 C ATOM 914 CD ARG A 62 21.327 -9.207 -1.527 1.00 2.44 C ATOM 915 NE ARG A 62 20.382 -10.311 -1.693 1.00 3.13 N ATOM 916 CZ ARG A 62 20.423 -11.177 -2.704 1.00 3.67 C ATOM 917 NH1 ARG A 62 21.404 -11.111 -3.594 1.00 3.55 N ATOM 918 NH2 ARG A 62 19.498 -12.125 -2.808 1.00 4.66 N ATOM 0 H ARG A 62 17.853 -7.140 -2.698 1.00 0.98 H new ATOM 0 HA ARG A 62 18.621 -9.325 -0.947 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.375 -6.392 -1.078 1.00 1.27 H new ATOM 0 HB3 ARG A 62 20.013 -7.510 0.111 1.00 1.27 H new ATOM 0 HG2 ARG A 62 20.308 -7.891 -2.889 1.00 1.79 H new ATOM 0 HG3 ARG A 62 21.503 -7.094 -1.884 1.00 1.79 H new ATOM 0 HD2 ARG A 62 22.200 -9.384 -2.156 1.00 2.44 H new ATOM 0 HD3 ARG A 62 21.677 -9.186 -0.495 1.00 2.44 H new ATOM 0 HE ARG A 62 19.648 -10.424 -0.993 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.127 -10.397 -3.504 1.00 3.55 H new ATOM 0 HH12 ARG A 62 21.436 -11.774 -4.368 1.00 3.55 H new ATOM 0 HH21 ARG A 62 18.755 -12.191 -2.113 1.00 4.66 H new ATOM 0 HH22 ARG A 62 19.531 -12.787 -3.583 1.00 4.66 H new ATOM 932 N ASP A 63 16.665 -6.859 -0.025 1.00 0.81 N ATOM 933 CA ASP A 63 15.745 -6.394 0.997 1.00 0.75 C ATOM 934 C ASP A 63 14.332 -6.307 0.460 1.00 0.61 C ATOM 935 O ASP A 63 14.083 -5.670 -0.569 1.00 0.69 O ATOM 936 CB ASP A 63 16.179 -5.026 1.535 1.00 0.92 C ATOM 937 CG ASP A 63 17.106 -5.131 2.731 1.00 1.70 C ATOM 938 OD1 ASP A 63 18.015 -5.985 2.709 1.00 2.02 O ATOM 939 OD2 ASP A 63 16.936 -4.346 3.695 1.00 2.51 O ATOM 0 H ASP A 63 16.676 -6.289 -0.871 1.00 0.81 H new ATOM 0 HA ASP A 63 15.764 -7.118 1.811 1.00 0.75 H new ATOM 0 HB2 ASP A 63 16.679 -4.471 0.741 1.00 0.92 H new ATOM 0 HB3 ASP A 63 15.295 -4.454 1.816 1.00 0.92 H new ATOM 944 N LYS A 64 13.419 -6.983 1.141 1.00 0.51 N ATOM 945 CA LYS A 64 12.001 -6.812 0.899 1.00 0.48 C ATOM 946 C LYS A 64 11.312 -6.505 2.223 1.00 0.52 C ATOM 947 O LYS A 64 11.045 -7.381 3.040 1.00 0.86 O ATOM 948 CB LYS A 64 11.390 -8.022 0.162 1.00 0.57 C ATOM 949 CG LYS A 64 11.661 -9.387 0.780 1.00 0.65 C ATOM 950 CD LYS A 64 10.537 -9.821 1.708 1.00 0.84 C ATOM 951 CE LYS A 64 10.102 -11.256 1.436 1.00 1.52 C ATOM 952 NZ LYS A 64 11.255 -12.195 1.393 1.00 2.07 N ATOM 0 H LYS A 64 13.641 -7.660 1.871 1.00 0.51 H new ATOM 0 HA LYS A 64 11.844 -5.968 0.227 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.311 -7.880 0.104 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.767 -8.027 -0.861 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.784 -10.126 -0.012 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.599 -9.355 1.335 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.865 -9.731 2.744 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.685 -9.153 1.584 1.00 0.84 H new ATOM 0 HE2 LYS A 64 9.405 -11.575 2.210 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.566 -11.298 0.488 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 10.944 -13.140 1.695 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 11.625 -12.246 0.422 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 12.003 -11.856 2.031 1.00 2.07 H new ATOM 966 N LEU A 65 11.068 -5.231 2.440 1.00 0.34 N ATOM 967 CA LEU A 65 10.640 -4.753 3.745 1.00 0.34 C ATOM 968 C LEU A 65 9.147 -4.562 3.755 1.00 0.38 C ATOM 969 O LEU A 65 8.621 -3.747 2.998 1.00 0.72 O ATOM 970 CB LEU A 65 11.318 -3.427 4.086 1.00 0.52 C ATOM 971 CG LEU A 65 12.633 -3.168 3.369 1.00 1.18 C ATOM 972 CD1 LEU A 65 13.137 -1.768 3.666 1.00 1.98 C ATOM 973 CD2 LEU A 65 13.677 -4.204 3.757 1.00 1.96 C ATOM 0 H LEU A 65 11.158 -4.503 1.731 1.00 0.34 H new ATOM 0 HA LEU A 65 10.923 -5.496 4.490 1.00 0.34 H new ATOM 0 HB2 LEU A 65 10.629 -2.615 3.852 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.496 -3.395 5.161 1.00 0.52 H new ATOM 0 HG LEU A 65 12.455 -3.251 2.297 1.00 1.18 H new ATOM 0 HD11 LEU A 65 14.079 -1.602 3.144 1.00 1.98 H new ATOM 0 HD12 LEU A 65 12.402 -1.037 3.329 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.293 -1.657 4.739 1.00 1.98 H new ATOM 0 HD21 LEU A 65 14.609 -3.997 3.231 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.850 -4.161 4.832 1.00 1.96 H new ATOM 0 HD23 LEU A 65 13.321 -5.198 3.487 1.00 1.96 H new ATOM 985 N TYR A 66 8.473 -5.295 4.618 1.00 0.32 N ATOM 986 CA TYR A 66 7.027 -5.246 4.679 1.00 0.34 C ATOM 987 C TYR A 66 6.592 -3.880 5.182 1.00 0.36 C ATOM 988 O TYR A 66 6.999 -3.435 6.255 1.00 0.44 O ATOM 989 CB TYR A 66 6.493 -6.357 5.588 1.00 0.39 C ATOM 990 CG TYR A 66 6.895 -7.753 5.150 1.00 0.41 C ATOM 991 CD1 TYR A 66 8.140 -8.273 5.489 1.00 0.55 C ATOM 992 CD2 TYR A 66 6.034 -8.557 4.408 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.514 -9.544 5.103 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.405 -9.831 4.019 1.00 0.59 C ATOM 995 CZ TYR A 66 7.645 -10.319 4.369 1.00 0.62 C ATOM 996 OH TYR A 66 8.015 -11.591 3.990 1.00 0.75 O ATOM 0 H TYR A 66 8.904 -5.932 5.287 1.00 0.32 H new ATOM 0 HA TYR A 66 6.616 -5.404 3.682 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.852 -6.187 6.603 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.405 -6.296 5.620 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.827 -7.671 6.065 1.00 0.55 H new ATOM 0 HD2 TYR A 66 5.061 -8.180 4.132 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.485 -9.929 5.376 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.725 -10.441 3.443 1.00 0.59 H new ATOM 0 HH TYR A 66 7.288 -12.004 3.479 1.00 0.75 H new ATOM 1006 N VAL A 67 5.794 -3.204 4.378 1.00 0.35 N ATOM 1007 CA VAL A 67 5.401 -1.839 4.667 1.00 0.38 C ATOM 1008 C VAL A 67 4.024 -1.775 5.281 1.00 0.40 C ATOM 1009 O VAL A 67 3.297 -2.762 5.316 1.00 0.73 O ATOM 1010 CB VAL A 67 5.424 -0.954 3.408 1.00 0.49 C ATOM 1011 CG1 VAL A 67 6.853 -0.693 2.984 1.00 0.67 C ATOM 1012 CG2 VAL A 67 4.630 -1.591 2.276 1.00 0.60 C ATOM 0 H VAL A 67 5.403 -3.581 3.515 1.00 0.35 H new ATOM 0 HA VAL A 67 6.133 -1.460 5.380 1.00 0.38 H new ATOM 0 HB VAL A 67 4.951 -0.002 3.647 1.00 0.49 H new ATOM 0 HG11 VAL A 67 6.859 -0.066 2.092 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.384 -0.185 3.789 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.346 -1.640 2.765 1.00 0.67 H new ATOM 0 HG21 VAL A 67 4.663 -0.944 1.399 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.063 -2.560 2.029 1.00 0.60 H new ATOM 0 HG23 VAL A 67 3.594 -1.725 2.589 1.00 0.60 H new ATOM 1022 N ASN A 68 3.697 -0.604 5.784 1.00 0.42 N ATOM 1023 CA ASN A 68 2.362 -0.311 6.249 1.00 0.49 C ATOM 1024 C ASN A 68 1.868 0.944 5.559 1.00 0.43 C ATOM 1025 O ASN A 68 2.382 2.035 5.804 1.00 0.50 O ATOM 1026 CB ASN A 68 2.343 -0.110 7.770 1.00 0.74 C ATOM 1027 CG ASN A 68 2.460 -1.409 8.541 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.934 -2.442 8.129 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.153 -1.365 9.667 1.00 1.60 N ATOM 0 H ASN A 68 4.352 0.172 5.881 1.00 0.42 H new ATOM 0 HA ASN A 68 1.710 -1.152 6.011 1.00 0.49 H new ATOM 0 HB2 ASN A 68 3.163 0.550 8.054 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.418 0.392 8.053 1.00 0.74 H new ATOM 0 HD21 ASN A 68 3.267 -2.209 10.229 1.00 1.60 H new ATOM 0 HD22 ASN A 68 3.573 -0.488 9.973 1.00 1.60 H new ATOM 1036 N ILE A 69 0.902 0.794 4.672 1.00 0.42 N ATOM 1037 CA ILE A 69 0.270 1.950 4.069 1.00 0.41 C ATOM 1038 C ILE A 69 -0.933 2.343 4.891 1.00 0.41 C ATOM 1039 O ILE A 69 -2.062 1.948 4.607 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.154 1.716 2.604 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.269 0.223 2.300 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.832 2.379 1.659 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.852 -0.076 0.936 1.00 0.74 C ATOM 0 H ILE A 69 0.542 -0.107 4.356 1.00 0.42 H new ATOM 0 HA ILE A 69 1.009 2.751 4.056 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.136 2.166 2.456 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.720 -0.230 2.370 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -0.890 -0.247 3.062 1.00 0.48 H new ATOM 0 HG21 ILE A 69 0.521 2.206 0.629 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.859 3.451 1.855 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.825 1.957 1.814 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.903 -1.155 0.791 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.854 0.347 0.868 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.219 0.364 0.165 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.672 3.112 5.924 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.704 3.538 6.835 1.00 0.45 C ATOM 1057 C ARG A 70 -2.073 4.969 6.501 1.00 0.39 C ATOM 1058 O ARG A 70 -1.193 5.813 6.303 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.208 3.385 8.279 1.00 0.55 C ATOM 1060 CG ARG A 70 -2.256 3.646 9.350 1.00 1.33 C ATOM 1061 CD ARG A 70 -1.826 3.047 10.683 1.00 1.39 C ATOM 1062 NE ARG A 70 -1.723 1.585 10.608 1.00 2.23 N ATOM 1063 CZ ARG A 70 -0.811 0.853 11.256 1.00 2.69 C ATOM 1064 NH1 ARG A 70 0.076 1.435 12.059 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -0.791 -0.470 11.103 1.00 3.79 N ATOM 0 H ARG A 70 0.260 3.458 6.154 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.597 2.922 6.736 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.821 2.374 8.409 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -0.373 4.068 8.435 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -2.410 4.719 9.461 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -3.210 3.217 9.044 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -0.864 3.466 10.978 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -2.544 3.323 11.455 1.00 1.39 H new ATOM 0 HE ARG A 70 -2.395 1.092 10.020 1.00 2.23 H new ATOM 0 HH11 ARG A 70 0.064 2.447 12.184 1.00 2.42 H new ATOM 0 HH12 ARG A 70 0.768 0.869 12.550 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -1.471 -0.923 10.492 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -0.096 -1.030 11.597 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.375 5.250 6.388 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.858 6.546 5.927 1.00 0.44 C ATOM 1081 C PRO A 71 -3.465 7.670 6.864 1.00 0.47 C ATOM 1082 O PRO A 71 -3.345 7.477 8.077 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.375 6.368 5.889 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.645 5.281 6.863 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.483 4.342 6.727 1.00 0.50 C ATOM 0 HA PRO A 71 -3.432 6.825 4.963 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.890 7.288 6.167 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.719 6.100 4.890 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -5.721 5.670 7.878 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.587 4.778 6.643 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.292 3.797 7.651 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.651 3.599 5.947 1.00 0.50 H new ATOM 1093 N MET A 72 -3.251 8.841 6.294 1.00 0.52 N ATOM 1094 CA MET A 72 -2.816 9.985 7.065 1.00 0.65 C ATOM 1095 C MET A 72 -3.972 10.536 7.900 1.00 0.81 C ATOM 1096 O MET A 72 -4.702 11.427 7.455 1.00 1.66 O ATOM 1097 CB MET A 72 -2.241 11.068 6.146 1.00 0.75 C ATOM 1098 CG MET A 72 -1.504 12.168 6.895 1.00 0.89 C ATOM 1099 SD MET A 72 -0.086 11.538 7.818 1.00 1.54 S ATOM 1100 CE MET A 72 0.502 13.040 8.593 1.00 1.71 C ATOM 0 H MET A 72 -3.372 9.023 5.298 1.00 0.52 H new ATOM 0 HA MET A 72 -2.026 9.665 7.745 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.559 10.604 5.433 1.00 0.75 H new ATOM 0 HB3 MET A 72 -3.052 11.512 5.569 1.00 0.75 H new ATOM 0 HG2 MET A 72 -1.166 12.924 6.186 1.00 0.89 H new ATOM 0 HG3 MET A 72 -2.192 12.660 7.582 1.00 0.89 H new ATOM 0 HE1 MET A 72 1.379 12.817 9.201 1.00 1.71 H new ATOM 0 HE2 MET A 72 0.768 13.766 7.825 1.00 1.71 H new ATOM 0 HE3 MET A 72 -0.283 13.454 9.226 1.00 1.71 H new ATOM 1110 N ASP A 73 -4.163 9.931 9.078 1.00 0.85 N ATOM 1111 CA ASP A 73 -5.147 10.370 10.083 1.00 0.91 C ATOM 1112 C ASP A 73 -6.590 10.034 9.701 1.00 0.97 C ATOM 1113 O ASP A 73 -7.347 9.523 10.525 1.00 1.54 O ATOM 1114 CB ASP A 73 -5.033 11.875 10.362 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.797 12.237 11.160 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.649 11.743 12.297 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -2.954 12.998 10.642 1.00 1.92 O ATOM 0 H ASP A 73 -3.632 9.110 9.367 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.905 9.812 10.987 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -5.018 12.414 9.415 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -5.919 12.207 10.904 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.958 10.327 8.462 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.348 10.241 8.017 1.00 0.90 C ATOM 1124 C ASN A 74 -8.940 8.839 8.142 1.00 1.03 C ATOM 1125 O ASN A 74 -8.517 7.907 7.457 1.00 1.89 O ATOM 1126 CB ASN A 74 -8.490 10.725 6.572 1.00 0.90 C ATOM 1127 CG ASN A 74 -8.310 12.220 6.431 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -9.254 12.987 6.615 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -7.108 12.648 6.081 1.00 1.21 N ATOM 0 H ASN A 74 -6.307 10.630 7.737 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.912 10.892 8.686 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -7.754 10.215 5.950 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -9.474 10.446 6.196 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -6.939 13.646 5.955 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.351 11.980 5.938 1.00 1.21 H new ATOM 1136 N SER A 75 -9.930 8.729 9.027 1.00 0.90 N ATOM 1137 CA SER A 75 -10.770 7.535 9.169 1.00 0.90 C ATOM 1138 C SER A 75 -10.035 6.387 9.860 1.00 0.84 C ATOM 1139 O SER A 75 -8.803 6.353 9.922 1.00 0.93 O ATOM 1140 CB SER A 75 -11.309 7.093 7.799 1.00 0.93 C ATOM 1141 OG SER A 75 -12.126 5.937 7.898 1.00 1.70 O ATOM 0 H SER A 75 -10.177 9.476 9.676 1.00 0.90 H new ATOM 0 HA SER A 75 -11.610 7.804 9.809 1.00 0.90 H new ATOM 0 HB2 SER A 75 -11.884 7.906 7.356 1.00 0.93 H new ATOM 0 HB3 SER A 75 -10.474 6.890 7.129 1.00 0.93 H new ATOM 0 HG SER A 75 -12.451 5.689 7.007 1.00 1.70 H new ATOM 1147 N ALA A 76 -10.812 5.456 10.400 1.00 0.82 N ATOM 1148 CA ALA A 76 -10.266 4.266 11.026 1.00 0.78 C ATOM 1149 C ALA A 76 -10.269 3.107 10.039 1.00 0.63 C ATOM 1150 O ALA A 76 -11.320 2.713 9.530 1.00 0.77 O ATOM 1151 CB ALA A 76 -11.060 3.909 12.272 1.00 0.94 C ATOM 0 H ALA A 76 -11.831 5.507 10.415 1.00 0.82 H new ATOM 0 HA ALA A 76 -9.237 4.467 11.323 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -10.637 3.014 12.729 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -11.014 4.735 12.982 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -12.099 3.721 12.000 1.00 0.94 H new ATOM 1157 N TRP A 77 -9.091 2.593 9.742 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.953 1.478 8.823 1.00 0.38 C ATOM 1159 C TRP A 77 -8.479 0.245 9.572 1.00 0.40 C ATOM 1160 O TRP A 77 -7.660 0.342 10.486 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.950 1.808 7.708 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.357 2.933 6.796 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.812 4.172 7.151 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.314 2.923 5.364 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.068 4.923 6.027 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.767 4.178 4.919 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.939 1.973 4.415 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.856 4.502 3.567 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -8.026 2.296 3.076 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.481 3.550 2.662 1.00 0.42 C ATOM 0 H TRP A 77 -8.209 2.932 10.127 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.928 1.286 8.375 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.993 2.059 8.164 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.791 0.913 7.107 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.950 4.512 8.167 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.424 5.879 6.020 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.586 1.000 4.723 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.209 5.471 3.246 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.737 1.566 2.335 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.537 3.771 1.606 1.00 0.42 H new ATOM 1181 N THR A 78 -8.993 -0.907 9.184 1.00 0.38 N ATOM 1182 CA THR A 78 -8.562 -2.164 9.759 1.00 0.40 C ATOM 1183 C THR A 78 -7.284 -2.623 9.064 1.00 0.36 C ATOM 1184 O THR A 78 -7.291 -2.979 7.882 1.00 0.37 O ATOM 1185 CB THR A 78 -9.663 -3.232 9.637 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.883 -2.723 10.200 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.267 -4.516 10.354 1.00 0.49 C ATOM 0 H THR A 78 -9.714 -0.996 8.468 1.00 0.38 H new ATOM 0 HA THR A 78 -8.362 -2.020 10.821 1.00 0.40 H new ATOM 0 HB THR A 78 -9.805 -3.462 8.581 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.587 -3.400 10.122 1.00 0.51 H new ATOM 0 HG21 THR A 78 -10.065 -5.252 10.250 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.351 -4.910 9.915 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.102 -4.307 11.411 1.00 0.49 H new ATOM 1195 N THR A 79 -6.188 -2.583 9.802 1.00 0.41 N ATOM 1196 CA THR A 79 -4.868 -2.796 9.239 1.00 0.40 C ATOM 1197 C THR A 79 -4.531 -4.276 9.083 1.00 0.38 C ATOM 1198 O THR A 79 -4.491 -5.048 10.044 1.00 0.50 O ATOM 1199 CB THR A 79 -3.790 -2.079 10.092 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.483 -2.245 9.523 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.779 -2.580 11.530 1.00 0.59 C ATOM 0 H THR A 79 -6.189 -2.402 10.806 1.00 0.41 H new ATOM 0 HA THR A 79 -4.876 -2.364 8.238 1.00 0.40 H new ATOM 0 HB THR A 79 -4.050 -1.020 10.095 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.388 -1.658 8.744 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.010 -2.052 12.093 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.752 -2.398 11.986 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.568 -3.649 11.541 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.328 -4.660 7.841 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.738 -5.939 7.511 1.00 0.32 C ATOM 1211 C ASP A 80 -2.490 -5.652 6.695 1.00 0.36 C ATOM 1212 O ASP A 80 -2.397 -4.593 6.076 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.721 -6.813 6.725 1.00 0.34 C ATOM 1214 CG ASP A 80 -4.167 -8.191 6.442 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -4.301 -9.078 7.305 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -3.607 -8.397 5.343 1.00 1.70 O ATOM 0 H ASP A 80 -4.569 -4.092 7.029 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.488 -6.492 8.416 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.650 -6.906 7.287 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.966 -6.322 5.783 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.523 -6.551 6.695 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.260 -6.261 6.034 1.00 0.57 C ATOM 1223 C ASN A 81 -0.345 -6.561 4.542 1.00 0.59 C ATOM 1224 O ASN A 81 0.647 -6.440 3.826 1.00 0.72 O ATOM 1225 CB ASN A 81 0.885 -7.051 6.661 1.00 0.68 C ATOM 1226 CG ASN A 81 2.132 -6.202 6.847 1.00 0.81 C ATOM 1227 OD1 ASN A 81 2.366 -5.657 7.924 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.931 -6.071 5.799 1.00 0.80 N ATOM 0 H ASN A 81 -1.582 -7.470 7.135 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.058 -5.198 6.166 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.567 -7.444 7.627 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.121 -7.908 6.030 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.775 -5.502 5.869 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.703 -6.539 4.922 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.520 -6.969 4.085 1.00 0.55 N ATOM 1236 CA GLY A 82 -1.736 -7.197 2.671 1.00 0.65 C ATOM 1237 C GLY A 82 -2.874 -6.366 2.128 1.00 0.48 C ATOM 1238 O GLY A 82 -2.865 -5.971 0.962 1.00 0.57 O ATOM 0 H GLY A 82 -2.334 -7.147 4.674 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -0.823 -6.963 2.123 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -1.947 -8.253 2.503 1.00 0.65 H new ATOM 1242 N VAL A 83 -3.860 -6.100 2.967 1.00 0.40 N ATOM 1243 CA VAL A 83 -4.966 -5.246 2.584 1.00 0.44 C ATOM 1244 C VAL A 83 -5.210 -4.209 3.658 1.00 0.36 C ATOM 1245 O VAL A 83 -4.987 -4.459 4.840 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.273 -6.029 2.328 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.130 -6.927 1.114 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.675 -6.845 3.549 1.00 0.67 C ATOM 0 H VAL A 83 -3.916 -6.464 3.918 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.683 -4.769 1.646 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.063 -5.304 2.133 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.061 -7.470 0.951 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -5.905 -6.320 0.237 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.320 -7.638 1.280 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.598 -7.385 3.338 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -5.885 -7.557 3.787 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -6.830 -6.178 4.397 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.669 -3.051 3.256 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.892 -1.980 4.194 1.00 0.29 C ATOM 1260 C PHE A 84 -7.241 -1.374 3.906 1.00 0.29 C ATOM 1261 O PHE A 84 -7.398 -0.669 2.918 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.791 -0.927 4.064 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.263 -0.444 5.379 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -5.002 0.422 6.168 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -3.017 -0.853 5.825 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.507 0.869 7.378 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.519 -0.410 7.030 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.264 0.452 7.809 1.00 0.36 C ATOM 0 H PHE A 84 -5.895 -2.826 2.287 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.869 -2.363 5.214 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.968 -1.344 3.483 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -5.178 -0.076 3.503 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.975 0.751 5.834 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.429 -1.528 5.220 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -5.092 1.544 7.986 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.546 -0.737 7.365 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.875 0.800 8.755 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.223 -1.680 4.731 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.574 -1.240 4.448 1.00 0.34 C ATOM 1280 C TYR A 85 -10.215 -0.599 5.654 1.00 0.34 C ATOM 1281 O TYR A 85 -10.118 -1.098 6.774 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.442 -2.392 3.927 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.695 -3.510 4.915 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.670 -4.373 5.286 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.946 -3.689 5.489 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.888 -5.385 6.202 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.172 -4.697 6.408 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.181 -5.586 6.701 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.358 -6.550 7.674 1.00 0.59 O ATOM 0 H TYR A 85 -8.114 -2.222 5.588 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.504 -0.486 3.664 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.402 -1.986 3.609 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.965 -2.813 3.042 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.689 -4.251 4.852 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.756 -3.030 5.213 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.072 -6.012 6.529 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.133 -4.780 6.893 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.303 -6.585 7.932 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.857 0.519 5.408 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.566 1.229 6.448 1.00 0.37 C ATOM 1301 C LYS A 86 -12.849 0.497 6.783 1.00 0.39 C ATOM 1302 O LYS A 86 -13.527 -0.020 5.893 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.863 2.664 6.007 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.683 2.760 4.732 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.723 4.181 4.202 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.706 4.325 3.052 1.00 0.61 C ATOM 1307 NZ LYS A 86 -15.113 4.285 3.517 1.00 1.39 N ATOM 0 H LYS A 86 -10.903 0.960 4.489 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.941 1.271 7.340 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.395 3.177 6.808 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.920 3.191 5.861 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -12.259 2.100 3.975 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.698 2.414 4.924 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -13.002 4.862 5.006 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -11.727 4.473 3.868 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.522 5.266 2.533 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -13.540 3.525 2.330 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.748 4.488 2.719 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -15.326 3.341 3.898 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -15.253 4.998 4.261 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.168 0.435 8.065 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.404 -0.194 8.500 1.00 0.51 C ATOM 1323 C ASN A 87 -15.579 0.708 8.139 1.00 0.55 C ATOM 1324 O ASN A 87 -16.732 0.277 8.103 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.370 -0.481 10.006 1.00 0.61 C ATOM 1326 CG ASN A 87 -14.275 0.772 10.848 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -13.181 1.250 11.142 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -15.415 1.308 11.253 1.00 2.12 N ATOM 0 H ASN A 87 -12.592 0.810 8.819 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.520 -1.151 7.990 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -15.268 -1.032 10.285 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.519 -1.126 10.228 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.406 2.148 11.831 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -16.302 0.881 10.987 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.261 1.967 7.876 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.225 2.923 7.357 1.00 0.54 C ATOM 1337 C ASP A 88 -16.588 2.559 5.930 1.00 0.46 C ATOM 1338 O ASP A 88 -15.720 2.238 5.115 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.637 4.333 7.421 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.464 5.386 6.706 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -16.374 5.482 5.465 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -17.188 6.144 7.393 1.00 1.62 O ATOM 0 H ASP A 88 -14.328 2.353 8.017 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.130 2.896 7.964 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.527 4.622 8.466 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -14.637 4.317 6.988 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.863 2.599 5.628 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.329 2.254 4.294 1.00 0.51 C ATOM 1349 C VAL A 89 -18.590 3.517 3.470 1.00 0.51 C ATOM 1350 O VAL A 89 -19.362 4.390 3.867 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.599 1.365 4.327 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -19.300 0.043 5.010 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.756 2.065 5.029 1.00 0.93 C ATOM 0 H VAL A 89 -18.600 2.865 6.281 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.536 1.675 3.820 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.897 1.177 3.295 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -20.201 -0.570 5.026 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.515 -0.479 4.464 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.969 0.228 6.032 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.628 1.411 5.033 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.472 2.297 6.056 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.996 2.988 4.502 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.924 3.619 2.329 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.102 4.772 1.472 1.00 0.46 C ATOM 1365 C GLY A 90 -16.794 5.226 0.865 1.00 0.39 C ATOM 1366 O GLY A 90 -15.861 4.432 0.746 1.00 0.43 O ATOM 0 H GLY A 90 -17.264 2.924 1.982 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.807 4.529 0.677 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.539 5.588 2.047 1.00 0.46 H new ATOM 1370 N SER A 91 -16.717 6.496 0.502 1.00 0.44 N ATOM 1371 CA SER A 91 -15.537 7.057 -0.114 1.00 0.50 C ATOM 1372 C SER A 91 -14.514 7.437 0.952 1.00 0.48 C ATOM 1373 O SER A 91 -14.694 7.131 2.133 1.00 0.77 O ATOM 1374 CB SER A 91 -15.943 8.274 -0.950 1.00 0.69 C ATOM 1375 OG SER A 91 -16.792 9.135 -0.209 1.00 1.17 O ATOM 0 H SER A 91 -17.477 7.165 0.629 1.00 0.44 H new ATOM 0 HA SER A 91 -15.073 6.318 -0.767 1.00 0.50 H new ATOM 0 HB2 SER A 91 -15.052 8.818 -1.265 1.00 0.69 H new ATOM 0 HB3 SER A 91 -16.453 7.945 -1.856 1.00 0.69 H new ATOM 0 HG SER A 91 -17.038 9.906 -0.761 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.441 8.083 0.533 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.391 8.486 1.450 1.00 0.45 C ATOM 1383 C TRP A 92 -11.599 9.635 0.852 1.00 0.44 C ATOM 1384 O TRP A 92 -11.531 10.712 1.435 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.478 7.302 1.758 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.546 7.578 2.886 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.848 7.630 4.216 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.159 7.855 2.776 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.719 7.930 4.936 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.670 8.071 4.073 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.282 7.937 1.702 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.339 8.372 4.320 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -6.968 8.233 1.949 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.503 8.449 3.247 1.00 0.51 C ATOM 0 H TRP A 92 -13.274 8.340 -0.440 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.840 8.822 2.384 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.087 6.431 1.999 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -10.901 7.051 0.868 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.828 7.461 4.638 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.671 8.031 5.950 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.629 7.771 0.693 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.979 8.539 5.324 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.277 8.301 1.122 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.460 8.682 3.404 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.053 9.387 -0.334 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.251 10.381 -1.057 1.00 0.49 C ATOM 1407 C GLY A 93 -9.274 11.172 -0.185 1.00 0.57 C ATOM 1408 O GLY A 93 -9.623 12.218 0.365 1.00 1.25 O ATOM 0 H GLY A 93 -11.150 8.497 -0.823 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.688 9.873 -1.840 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.924 11.081 -1.551 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.042 10.697 -0.089 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.053 11.366 0.736 1.00 0.50 C ATOM 1414 C GLY A 94 -5.648 10.866 0.468 1.00 0.50 C ATOM 1415 O GLY A 94 -5.295 10.584 -0.674 1.00 0.72 O ATOM 0 H GLY A 94 -7.707 9.860 -0.567 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.096 12.440 0.552 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.296 11.213 1.787 1.00 0.50 H new ATOM 1419 N THR A 95 -4.845 10.746 1.517 1.00 0.46 N ATOM 1420 CA THR A 95 -3.470 10.293 1.373 1.00 0.45 C ATOM 1421 C THR A 95 -3.105 9.215 2.398 1.00 0.40 C ATOM 1422 O THR A 95 -3.521 9.271 3.559 1.00 0.45 O ATOM 1423 CB THR A 95 -2.487 11.472 1.501 1.00 0.53 C ATOM 1424 OG1 THR A 95 -2.858 12.305 2.607 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.450 12.297 0.223 1.00 0.60 C ATOM 0 H THR A 95 -5.123 10.956 2.476 1.00 0.46 H new ATOM 0 HA THR A 95 -3.390 9.857 0.377 1.00 0.45 H new ATOM 0 HB THR A 95 -1.491 11.064 1.674 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.226 13.051 2.681 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.748 13.122 0.343 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.132 11.667 -0.608 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.444 12.694 0.017 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.346 8.225 1.949 1.00 0.38 N ATOM 1434 CA ILE A 96 -1.813 7.184 2.823 1.00 0.39 C ATOM 1435 C ILE A 96 -0.286 7.227 2.795 1.00 0.40 C ATOM 1436 O ILE A 96 0.306 7.475 1.750 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.286 5.782 2.383 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.047 5.609 0.889 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -3.757 5.576 2.711 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.252 4.198 0.387 1.00 1.63 C ATOM 0 H ILE A 96 -2.081 8.119 0.970 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.180 7.371 3.832 1.00 0.39 H new ATOM 0 HB ILE A 96 -1.713 5.032 2.929 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -2.716 6.276 0.346 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -1.029 5.921 0.657 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.065 4.581 2.391 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -3.907 5.674 3.786 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.354 6.325 2.191 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -2.062 4.162 -0.686 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -1.564 3.526 0.900 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -3.278 3.887 0.584 1.00 1.63 H new ATOM 1452 N GLY A 97 0.353 6.982 3.926 1.00 0.39 N ATOM 1453 CA GLY A 97 1.794 7.118 3.994 1.00 0.45 C ATOM 1454 C GLY A 97 2.498 5.781 4.013 1.00 0.39 C ATOM 1455 O GLY A 97 2.019 4.839 4.643 1.00 0.37 O ATOM 0 H GLY A 97 -0.096 6.693 4.795 1.00 0.39 H new ATOM 0 HA2 GLY A 97 2.142 7.697 3.139 1.00 0.45 H new ATOM 0 HA3 GLY A 97 2.062 7.679 4.889 1.00 0.45 H new ATOM 1459 N ILE A 98 3.629 5.686 3.318 1.00 0.38 N ATOM 1460 CA ILE A 98 4.388 4.452 3.289 1.00 0.36 C ATOM 1461 C ILE A 98 5.510 4.478 4.307 1.00 0.38 C ATOM 1462 O ILE A 98 6.374 5.357 4.277 1.00 0.42 O ATOM 1463 CB ILE A 98 4.961 4.181 1.884 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.825 3.778 0.958 1.00 0.50 C ATOM 1465 CG2 ILE A 98 6.031 3.095 1.923 1.00 0.45 C ATOM 1466 CD1 ILE A 98 4.237 3.579 -0.483 1.00 0.83 C ATOM 0 H ILE A 98 4.033 6.447 2.772 1.00 0.38 H new ATOM 0 HA ILE A 98 3.702 3.644 3.545 1.00 0.36 H new ATOM 0 HB ILE A 98 5.434 5.090 1.512 1.00 0.41 H new ATOM 0 HG12 ILE A 98 3.381 2.854 1.328 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.049 4.543 1.000 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.416 2.927 0.917 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.846 3.410 2.575 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.598 2.171 2.305 1.00 0.45 H new ATOM 0 HD11 ILE A 98 3.367 3.293 -1.074 1.00 0.83 H new ATOM 0 HD12 ILE A 98 4.652 4.508 -0.874 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.989 2.792 -0.541 1.00 0.83 H new ATOM 1478 N TYR A 99 5.463 3.528 5.225 1.00 0.42 N ATOM 1479 CA TYR A 99 6.530 3.328 6.184 1.00 0.53 C ATOM 1480 C TYR A 99 6.788 1.837 6.380 1.00 0.44 C ATOM 1481 O TYR A 99 5.972 1.002 5.990 1.00 0.50 O ATOM 1482 CB TYR A 99 6.223 4.010 7.523 1.00 0.73 C ATOM 1483 CG TYR A 99 4.773 4.396 7.735 1.00 0.55 C ATOM 1484 CD1 TYR A 99 3.863 3.467 8.218 1.00 0.74 C ATOM 1485 CD2 TYR A 99 4.308 5.671 7.435 1.00 0.88 C ATOM 1486 CE1 TYR A 99 2.536 3.791 8.400 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.976 6.002 7.610 1.00 1.11 C ATOM 1488 CZ TYR A 99 2.132 5.152 8.155 1.00 0.92 C ATOM 1489 OH TYR A 99 0.773 5.373 8.266 1.00 1.28 O ATOM 0 H TYR A 99 4.685 2.876 5.325 1.00 0.42 H new ATOM 0 HA TYR A 99 7.432 3.792 5.785 1.00 0.53 H new ATOM 0 HB2 TYR A 99 6.526 3.343 8.330 1.00 0.73 H new ATOM 0 HB3 TYR A 99 6.836 4.907 7.604 1.00 0.73 H new ATOM 0 HD1 TYR A 99 4.201 2.469 8.456 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.996 6.414 7.060 1.00 0.88 H new ATOM 0 HE1 TYR A 99 1.820 3.047 8.717 1.00 0.82 H new ATOM 0 HE2 TYR A 99 2.624 6.973 7.294 1.00 1.11 H new ATOM 0 HH TYR A 99 0.368 5.378 7.373 1.00 1.28 H new ATOM 1499 N VAL A 100 7.924 1.519 6.982 1.00 0.44 N ATOM 1500 CA VAL A 100 8.371 0.134 7.132 1.00 0.40 C ATOM 1501 C VAL A 100 7.856 -0.461 8.431 1.00 0.42 C ATOM 1502 O VAL A 100 8.105 0.096 9.490 1.00 0.56 O ATOM 1503 CB VAL A 100 9.901 0.053 7.182 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.374 -1.369 6.933 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.522 1.021 6.204 1.00 0.78 C ATOM 0 H VAL A 100 8.563 2.207 7.380 1.00 0.44 H new ATOM 0 HA VAL A 100 7.985 -0.415 6.273 1.00 0.40 H new ATOM 0 HB VAL A 100 10.227 0.340 8.182 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.463 -1.403 6.973 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.962 -2.028 7.697 1.00 1.14 H new ATOM 0 HG13 VAL A 100 10.037 -1.698 5.950 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.608 0.946 6.257 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.191 0.780 5.194 1.00 0.78 H new ATOM 0 HG23 VAL A 100 10.216 2.037 6.454 1.00 0.78 H new ATOM 1515 N ASP A 101 7.181 -1.594 8.365 1.00 0.40 N ATOM 1516 CA ASP A 101 6.703 -2.253 9.578 1.00 0.50 C ATOM 1517 C ASP A 101 7.891 -2.747 10.406 1.00 0.59 C ATOM 1518 O ASP A 101 8.471 -3.797 10.118 1.00 0.77 O ATOM 1519 CB ASP A 101 5.767 -3.417 9.225 1.00 0.67 C ATOM 1520 CG ASP A 101 5.145 -4.074 10.448 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.103 -3.587 10.933 1.00 0.93 O ATOM 1522 OD2 ASP A 101 5.679 -5.097 10.918 1.00 1.02 O ATOM 0 H ASP A 101 6.951 -2.077 7.497 1.00 0.40 H new ATOM 0 HA ASP A 101 6.139 -1.533 10.171 1.00 0.50 H new ATOM 0 HB2 ASP A 101 4.974 -3.052 8.573 1.00 0.67 H new ATOM 0 HB3 ASP A 101 6.324 -4.166 8.662 1.00 0.67 H new ATOM 1527 N GLY A 102 8.287 -1.955 11.400 1.00 0.61 N ATOM 1528 CA GLY A 102 9.398 -2.331 12.255 1.00 0.81 C ATOM 1529 C GLY A 102 10.676 -1.552 11.978 1.00 0.85 C ATOM 1530 O GLY A 102 11.581 -1.543 12.814 1.00 1.53 O ATOM 0 H GLY A 102 7.857 -1.059 11.628 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.110 -2.181 13.296 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.597 -3.395 12.129 1.00 0.81 H new ATOM 1534 N GLN A 103 10.735 -0.885 10.819 1.00 0.64 N ATOM 1535 CA GLN A 103 11.955 -0.212 10.340 1.00 0.60 C ATOM 1536 C GLN A 103 13.040 -1.234 10.000 1.00 0.61 C ATOM 1537 O GLN A 103 13.500 -1.983 10.858 1.00 0.65 O ATOM 1538 CB GLN A 103 12.478 0.808 11.359 1.00 0.71 C ATOM 1539 CG GLN A 103 13.739 1.539 10.913 1.00 1.01 C ATOM 1540 CD GLN A 103 14.227 2.536 11.949 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.039 2.344 13.148 1.00 1.78 O ATOM 1542 NE2 GLN A 103 14.837 3.620 11.496 1.00 2.11 N ATOM 0 H GLN A 103 9.941 -0.795 10.185 1.00 0.64 H new ATOM 0 HA GLN A 103 11.692 0.332 9.433 1.00 0.60 H new ATOM 0 HB2 GLN A 103 11.696 1.541 11.558 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.681 0.296 12.299 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.526 0.812 10.714 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.542 2.060 9.976 1.00 1.01 H new ATOM 0 HE21 GLN A 103 14.976 3.746 10.493 1.00 2.11 H new ATOM 0 HE22 GLN A 103 15.168 4.329 12.150 1.00 2.11 H new ATOM 1551 N GLN A 104 13.446 -1.258 8.739 1.00 0.73 N ATOM 1552 CA GLN A 104 14.391 -2.259 8.263 1.00 0.94 C ATOM 1553 C GLN A 104 15.795 -1.686 8.069 1.00 1.02 C ATOM 1554 O GLN A 104 16.729 -2.420 7.760 1.00 1.28 O ATOM 1555 CB GLN A 104 13.866 -2.890 6.974 1.00 1.12 C ATOM 1556 CG GLN A 104 12.785 -3.930 7.223 1.00 1.96 C ATOM 1557 CD GLN A 104 13.276 -5.096 8.063 1.00 1.98 C ATOM 1558 OE1 GLN A 104 12.518 -5.674 8.840 1.00 2.02 O ATOM 1559 NE2 GLN A 104 14.543 -5.457 7.906 1.00 2.62 N ATOM 0 H GLN A 104 13.136 -0.596 8.027 1.00 0.73 H new ATOM 0 HA GLN A 104 14.479 -3.031 9.028 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.468 -2.107 6.328 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.694 -3.355 6.439 1.00 1.12 H new ATOM 0 HG2 GLN A 104 11.940 -3.457 7.724 1.00 1.96 H new ATOM 0 HG3 GLN A 104 12.420 -4.305 6.267 1.00 1.96 H new ATOM 0 HE21 GLN A 104 15.140 -4.952 7.251 1.00 2.62 H new ATOM 0 HE22 GLN A 104 14.920 -6.240 8.440 1.00 2.62 H new ATOM 1568 N THR A 105 15.928 -0.365 8.216 1.00 1.14 N ATOM 1569 CA THR A 105 17.242 0.284 8.301 1.00 1.42 C ATOM 1570 C THR A 105 17.961 0.268 6.945 1.00 1.11 C ATOM 1571 O THR A 105 19.155 0.537 6.860 1.00 1.04 O ATOM 1572 CB THR A 105 18.120 -0.391 9.382 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.305 -0.773 10.501 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.214 0.548 9.871 1.00 2.43 C ATOM 0 H THR A 105 15.140 0.279 8.279 1.00 1.14 H new ATOM 0 HA THR A 105 17.077 1.323 8.585 1.00 1.42 H new ATOM 0 HB THR A 105 18.584 -1.269 8.933 1.00 1.90 H new ATOM 0 HG1 THR A 105 17.864 -1.201 11.182 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.813 0.045 10.630 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.852 0.831 9.034 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.761 1.442 10.301 1.00 2.43 H new ATOM 1582 N ASN A 106 17.184 -0.030 5.902 1.00 1.04 N ATOM 1583 CA ASN A 106 17.627 -0.054 4.505 1.00 0.88 C ATOM 1584 C ASN A 106 19.008 -0.693 4.280 1.00 0.81 C ATOM 1585 O ASN A 106 20.050 -0.045 4.332 1.00 0.79 O ATOM 1586 CB ASN A 106 17.477 1.332 3.830 1.00 0.97 C ATOM 1587 CG ASN A 106 18.236 2.521 4.428 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.709 3.630 4.435 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.461 2.342 4.868 1.00 0.80 N ATOM 0 H ASN A 106 16.198 -0.269 6.009 1.00 1.04 H new ATOM 0 HA ASN A 106 16.943 -0.734 3.996 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.787 1.230 2.790 1.00 0.97 H new ATOM 0 HB3 ASN A 106 16.417 1.585 3.823 1.00 0.97 H new ATOM 0 HD21 ASN A 106 19.995 3.134 5.225 1.00 0.80 H new ATOM 0 HD22 ASN A 106 19.878 1.411 4.852 1.00 0.80 H new ATOM 1596 N THR A 107 18.993 -1.988 4.021 1.00 0.86 N ATOM 1597 CA THR A 107 20.203 -2.723 3.681 1.00 0.89 C ATOM 1598 C THR A 107 20.480 -2.510 2.193 1.00 0.80 C ATOM 1599 O THR A 107 19.521 -2.461 1.425 1.00 0.86 O ATOM 1600 CB THR A 107 20.010 -4.225 3.978 1.00 1.13 C ATOM 1601 OG1 THR A 107 19.159 -4.378 5.121 1.00 1.68 O ATOM 1602 CG2 THR A 107 21.332 -4.927 4.241 1.00 1.53 C ATOM 0 H THR A 107 18.148 -2.559 4.040 1.00 0.86 H new ATOM 0 HA THR A 107 21.044 -2.366 4.275 1.00 0.89 H new ATOM 0 HB THR A 107 19.557 -4.682 3.099 1.00 1.13 H new ATOM 0 HG1 THR A 107 18.229 -4.473 4.826 1.00 1.68 H new ATOM 0 HG21 THR A 107 21.149 -5.982 4.445 1.00 1.53 H new ATOM 0 HG22 THR A 107 21.974 -4.833 3.365 1.00 1.53 H new ATOM 0 HG23 THR A 107 21.822 -4.470 5.101 1.00 1.53 H new ATOM 1610 N PRO A 108 21.779 -2.403 1.772 1.00 0.82 N ATOM 1611 CA PRO A 108 22.214 -1.974 0.442 1.00 0.84 C ATOM 1612 C PRO A 108 21.102 -1.906 -0.602 1.00 0.76 C ATOM 1613 O PRO A 108 20.877 -2.845 -1.371 1.00 0.91 O ATOM 1614 CB PRO A 108 23.252 -3.044 0.120 1.00 1.07 C ATOM 1615 CG PRO A 108 23.845 -3.412 1.458 1.00 1.26 C ATOM 1616 CD PRO A 108 22.969 -2.778 2.529 1.00 0.99 C ATOM 0 HA PRO A 108 22.586 -0.950 0.427 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.795 -3.908 -0.362 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.014 -2.665 -0.561 1.00 1.07 H new ATOM 0 HG2 PRO A 108 23.878 -4.495 1.579 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.871 -3.051 1.537 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.737 -3.478 3.332 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.449 -1.914 2.988 1.00 0.99 H new ATOM 1624 N PRO A 109 20.373 -0.780 -0.599 1.00 0.61 N ATOM 1625 CA PRO A 109 19.168 -0.588 -1.404 1.00 0.56 C ATOM 1626 C PRO A 109 19.442 -0.372 -2.889 1.00 0.57 C ATOM 1627 O PRO A 109 20.490 -0.745 -3.419 1.00 0.76 O ATOM 1628 CB PRO A 109 18.529 0.675 -0.795 1.00 0.59 C ATOM 1629 CG PRO A 109 19.251 0.898 0.488 1.00 0.64 C ATOM 1630 CD PRO A 109 20.634 0.391 0.244 1.00 0.63 C ATOM 0 HA PRO A 109 18.537 -1.476 -1.374 1.00 0.56 H new ATOM 0 HB2 PRO A 109 18.636 1.531 -1.461 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.461 0.534 -0.627 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.259 1.954 0.758 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.773 0.363 1.308 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.258 1.129 -0.261 1.00 0.63 H new ATOM 0 HD3 PRO A 109 21.142 0.124 1.171 1.00 0.63 H new ATOM 1638 N GLY A 110 18.474 0.250 -3.538 1.00 0.49 N ATOM 1639 CA GLY A 110 18.497 0.432 -4.965 1.00 0.58 C ATOM 1640 C GLY A 110 17.126 0.821 -5.454 1.00 0.54 C ATOM 1641 O GLY A 110 16.420 1.578 -4.776 1.00 0.76 O ATOM 0 H GLY A 110 17.650 0.642 -3.082 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.220 1.203 -5.230 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.819 -0.488 -5.453 1.00 0.58 H new ATOM 1645 N ASN A 111 16.729 0.294 -6.595 1.00 0.45 N ATOM 1646 CA ASN A 111 15.385 0.520 -7.103 1.00 0.44 C ATOM 1647 C ASN A 111 14.410 -0.438 -6.443 1.00 0.42 C ATOM 1648 O ASN A 111 14.567 -1.655 -6.523 1.00 0.58 O ATOM 1649 CB ASN A 111 15.331 0.351 -8.624 1.00 0.56 C ATOM 1650 CG ASN A 111 15.940 1.525 -9.364 1.00 1.10 C ATOM 1651 OD1 ASN A 111 16.853 2.181 -8.868 1.00 2.04 O ATOM 1652 ND2 ASN A 111 15.436 1.799 -10.555 1.00 1.41 N ATOM 0 H ASN A 111 17.314 -0.293 -7.189 1.00 0.45 H new ATOM 0 HA ASN A 111 15.103 1.545 -6.864 1.00 0.44 H new ATOM 0 HB2 ASN A 111 15.857 -0.562 -8.903 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.294 0.229 -8.935 1.00 0.56 H new ATOM 0 HD21 ASN A 111 15.805 2.580 -11.098 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.678 1.230 -10.931 1.00 1.41 H new ATOM 1659 N TYR A 112 13.417 0.115 -5.770 1.00 0.35 N ATOM 1660 CA TYR A 112 12.381 -0.691 -5.143 1.00 0.37 C ATOM 1661 C TYR A 112 11.077 -0.536 -5.898 1.00 0.42 C ATOM 1662 O TYR A 112 10.540 0.565 -6.023 1.00 0.55 O ATOM 1663 CB TYR A 112 12.194 -0.316 -3.673 1.00 0.40 C ATOM 1664 CG TYR A 112 13.276 -0.858 -2.763 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.597 -0.447 -2.901 1.00 0.64 C ATOM 1666 CD2 TYR A 112 12.983 -1.783 -1.775 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.590 -0.948 -2.082 1.00 0.67 C ATOM 1668 CE2 TYR A 112 13.970 -2.288 -0.955 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.255 -1.837 -1.077 1.00 0.59 C ATOM 1670 OH TYR A 112 16.246 -2.384 -0.300 1.00 0.69 O ATOM 0 H TYR A 112 13.305 1.121 -5.643 1.00 0.35 H new ATOM 0 HA TYR A 112 12.695 -1.734 -5.180 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.168 0.770 -3.585 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.227 -0.686 -3.333 1.00 0.40 H new ATOM 0 HD1 TYR A 112 14.851 0.276 -3.662 1.00 0.64 H new ATOM 0 HD2 TYR A 112 11.964 -2.115 -1.644 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.618 -0.648 -2.225 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.728 -3.039 -0.217 1.00 0.75 H new ATOM 0 HH TYR A 112 16.014 -2.280 0.647 1.00 0.69 H new ATOM 1680 N THR A 113 10.583 -1.644 -6.404 1.00 0.38 N ATOM 1681 CA THR A 113 9.401 -1.644 -7.238 1.00 0.46 C ATOM 1682 C THR A 113 8.203 -2.207 -6.488 1.00 0.51 C ATOM 1683 O THR A 113 8.040 -3.417 -6.374 1.00 0.83 O ATOM 1684 CB THR A 113 9.655 -2.476 -8.503 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.797 -1.956 -9.204 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.445 -2.480 -9.428 1.00 0.74 C ATOM 0 H THR A 113 10.987 -2.568 -6.250 1.00 0.38 H new ATOM 0 HA THR A 113 9.180 -0.613 -7.515 1.00 0.46 H new ATOM 0 HB THR A 113 9.844 -3.504 -8.194 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.957 -2.490 -10.010 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.664 -3.079 -10.312 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.588 -2.905 -8.905 1.00 0.74 H new ATOM 0 HG23 THR A 113 8.215 -1.458 -9.731 1.00 0.74 H new ATOM 1694 N LEU A 114 7.380 -1.323 -5.966 1.00 0.34 N ATOM 1695 CA LEU A 114 6.187 -1.733 -5.249 1.00 0.38 C ATOM 1696 C LEU A 114 4.938 -1.162 -5.917 1.00 0.40 C ATOM 1697 O LEU A 114 4.676 0.040 -5.861 1.00 0.47 O ATOM 1698 CB LEU A 114 6.250 -1.313 -3.775 1.00 0.43 C ATOM 1699 CG LEU A 114 6.672 0.132 -3.522 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.994 0.672 -2.277 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.185 0.234 -3.383 1.00 0.41 C ATOM 0 H LEU A 114 7.514 -0.313 -6.024 1.00 0.34 H new ATOM 0 HA LEU A 114 6.134 -2.821 -5.283 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.268 -1.470 -3.328 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.946 -1.973 -3.257 1.00 0.43 H new ATOM 0 HG LEU A 114 6.362 0.732 -4.377 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.306 1.703 -2.111 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.912 0.636 -2.407 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.276 0.065 -1.417 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.465 1.272 -3.203 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.516 -0.381 -2.546 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.659 -0.116 -4.300 1.00 0.41 H new ATOM 1713 N THR A 115 4.183 -2.027 -6.565 1.00 0.42 N ATOM 1714 CA THR A 115 2.979 -1.618 -7.261 1.00 0.45 C ATOM 1715 C THR A 115 1.755 -1.839 -6.372 1.00 0.44 C ATOM 1716 O THR A 115 1.673 -2.834 -5.648 1.00 0.47 O ATOM 1717 CB THR A 115 2.818 -2.398 -8.584 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.044 -2.347 -9.330 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.689 -1.825 -9.430 1.00 0.59 C ATOM 0 H THR A 115 4.384 -3.025 -6.624 1.00 0.42 H new ATOM 0 HA THR A 115 3.064 -0.557 -7.494 1.00 0.45 H new ATOM 0 HB THR A 115 2.574 -3.431 -8.338 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.938 -2.844 -10.168 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.601 -2.396 -10.354 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.752 -1.886 -8.876 1.00 0.59 H new ATOM 0 HG23 THR A 115 1.904 -0.783 -9.666 1.00 0.59 H new ATOM 1727 N LEU A 116 0.823 -0.901 -6.411 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.391 -0.982 -5.617 1.00 0.47 C ATOM 1729 C LEU A 116 -1.611 -1.049 -6.525 1.00 0.48 C ATOM 1730 O LEU A 116 -1.806 -0.191 -7.386 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.498 0.231 -4.693 1.00 0.54 C ATOM 1732 CG LEU A 116 0.622 0.370 -3.660 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.466 1.661 -2.874 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.634 -0.824 -2.717 1.00 1.05 C ATOM 0 H LEU A 116 0.886 -0.065 -6.992 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.351 -1.887 -5.012 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.518 1.132 -5.306 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.451 0.182 -4.166 1.00 0.54 H new ATOM 0 HG LEU A 116 1.573 0.400 -4.191 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.272 1.742 -2.144 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.508 2.510 -3.557 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -0.493 1.658 -2.357 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.438 -0.706 -1.990 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.321 -0.885 -2.195 1.00 1.05 H new ATOM 0 HD23 LEU A 116 0.794 -1.738 -3.289 1.00 1.05 H new ATOM 1746 N THR A 117 -2.434 -2.061 -6.329 1.00 0.44 N ATOM 1747 CA THR A 117 -3.614 -2.253 -7.147 1.00 0.48 C ATOM 1748 C THR A 117 -4.861 -1.820 -6.386 1.00 0.58 C ATOM 1749 O THR A 117 -5.172 -2.356 -5.318 1.00 0.70 O ATOM 1750 CB THR A 117 -3.741 -3.722 -7.581 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.512 -4.145 -8.190 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.887 -3.905 -8.567 1.00 0.57 C ATOM 0 H THR A 117 -2.305 -2.767 -5.605 1.00 0.44 H new ATOM 0 HA THR A 117 -3.515 -1.637 -8.041 1.00 0.48 H new ATOM 0 HB THR A 117 -3.949 -4.327 -6.698 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.247 -3.498 -8.877 1.00 0.56 H new ATOM 0 HG21 THR A 117 -4.954 -4.954 -8.857 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.822 -3.598 -8.099 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.707 -3.295 -9.452 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.564 -0.841 -6.935 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.730 -0.309 -6.274 1.00 0.79 C ATOM 1762 C GLY A 118 -7.921 -1.239 -6.356 1.00 0.64 C ATOM 1763 O GLY A 118 -7.949 -2.171 -7.166 1.00 0.80 O ATOM 0 H GLY A 118 -5.344 -0.406 -7.831 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.494 -0.118 -5.227 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.991 0.650 -6.722 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.901 -0.996 -5.509 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.113 -1.775 -5.526 1.00 0.50 C ATOM 1769 C GLY A 119 -10.763 -1.814 -4.168 1.00 0.44 C ATOM 1770 O GLY A 119 -10.143 -1.455 -3.170 1.00 0.53 O ATOM 0 H GLY A 119 -8.877 -0.263 -4.801 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.808 -1.352 -6.251 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.890 -2.791 -5.853 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.000 -2.258 -4.119 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.716 -2.313 -2.863 1.00 0.41 C ATOM 1776 C TYR A 120 -12.519 -3.665 -2.191 1.00 0.43 C ATOM 1777 O TYR A 120 -11.867 -4.558 -2.741 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.207 -2.028 -3.075 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.934 -3.048 -3.926 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.534 -4.161 -3.347 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -15.038 -2.889 -5.302 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -16.217 -5.081 -4.113 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.717 -3.811 -6.076 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.304 -4.904 -5.475 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.993 -5.816 -6.236 1.00 0.89 O ATOM 0 H TYR A 120 -12.528 -2.584 -4.928 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.311 -1.542 -2.207 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.694 -1.974 -2.101 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.313 -1.047 -3.539 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.464 -4.307 -2.279 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.581 -2.032 -5.774 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.682 -5.937 -3.646 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.787 -3.676 -7.145 1.00 0.73 H new ATOM 0 HH TYR A 120 -16.961 -5.547 -7.178 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.068 -3.786 -0.999 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.050 -5.023 -0.238 1.00 0.40 C ATOM 1797 C TRP A 121 -14.461 -5.289 0.301 1.00 0.48 C ATOM 1798 O TRP A 121 -15.241 -4.351 0.487 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.013 -4.914 0.906 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.250 -5.866 2.038 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.224 -5.752 2.979 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.511 -7.053 2.373 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.180 -6.810 3.835 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.135 -7.611 3.501 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.398 -7.710 1.835 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.701 -8.782 4.092 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.967 -8.883 2.440 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.619 -9.401 3.552 1.00 0.51 C ATOM 0 H TRP A 121 -13.545 -3.020 -0.524 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.757 -5.860 -0.871 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.018 -5.092 0.498 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.021 -3.895 1.294 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.932 -4.938 3.039 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.829 -6.975 4.605 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.887 -7.314 0.970 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.205 -9.192 4.955 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -9.109 -9.402 2.039 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -10.258 -10.316 3.997 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.792 -6.558 0.521 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.066 -6.925 1.121 1.00 0.73 C ATOM 1821 C ALA A 122 -15.889 -7.976 2.225 1.00 0.90 C ATOM 1822 O ALA A 122 -15.062 -8.887 2.109 1.00 1.42 O ATOM 1823 CB ALA A 122 -17.025 -7.430 0.054 1.00 0.94 C ATOM 0 H ALA A 122 -14.192 -7.350 0.291 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.487 -6.031 1.582 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.974 -7.701 0.517 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.192 -6.647 -0.685 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.597 -8.305 -0.435 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.667 -7.810 3.298 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.722 -8.741 4.437 1.00 0.97 C ATOM 1831 C LYS A 123 -15.481 -8.615 5.319 1.00 0.83 C ATOM 1832 O LYS A 123 -14.990 -7.511 5.532 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.935 -10.183 3.973 1.00 1.10 C ATOM 1834 CG LYS A 123 -18.229 -10.377 3.191 1.00 1.83 C ATOM 1835 CD LYS A 123 -19.422 -9.775 3.923 1.00 1.97 C ATOM 1836 CE LYS A 123 -20.688 -9.856 3.085 1.00 2.89 C ATOM 1837 NZ LYS A 123 -21.807 -9.079 3.680 1.00 3.47 N ATOM 0 H LYS A 123 -17.290 -7.010 3.405 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.584 -8.465 5.044 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.093 -10.486 3.351 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -16.941 -10.840 4.842 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -18.134 -9.915 2.208 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -18.400 -11.441 3.028 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -19.574 -10.300 4.866 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -19.212 -8.734 4.168 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -20.482 -9.483 2.082 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -20.987 -10.899 2.982 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -22.649 -9.163 3.075 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -22.023 -9.451 4.627 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -21.534 -8.078 3.755 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.986 -9.725 5.866 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.826 -9.657 6.754 1.00 0.81 C ATOM 1853 C ASP A 124 -12.949 -10.904 6.652 1.00 0.71 C ATOM 1854 O ASP A 124 -13.430 -12.028 6.796 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.271 -9.448 8.210 1.00 1.07 C ATOM 1856 CG ASP A 124 -14.877 -10.692 8.839 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -15.910 -11.186 8.333 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -14.310 -11.193 9.835 1.00 2.08 O ATOM 0 H ASP A 124 -15.360 -10.662 5.715 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.229 -8.804 6.433 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -13.413 -9.131 8.803 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -15.000 -8.639 8.247 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.661 -10.678 6.353 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.614 -11.718 6.370 1.00 0.73 C ATOM 1865 C ASN A 125 -10.808 -12.813 5.309 1.00 0.73 C ATOM 1866 O ASN A 125 -9.848 -13.470 4.902 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.525 -12.326 7.765 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.522 -13.459 7.874 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -8.338 -13.233 8.112 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -9.995 -14.687 7.729 1.00 2.40 N ATOM 0 H ASN A 125 -11.310 -9.757 6.089 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.676 -11.227 6.112 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.256 -11.545 8.476 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -11.509 -12.695 8.054 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -9.369 -15.488 7.814 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -10.985 -14.832 7.532 1.00 2.40 H new ATOM 1877 N LYS A 126 -12.037 -12.986 4.849 1.00 0.66 N ATOM 1878 CA LYS A 126 -12.378 -14.009 3.868 1.00 0.76 C ATOM 1879 C LYS A 126 -11.822 -13.653 2.493 1.00 0.76 C ATOM 1880 O LYS A 126 -11.961 -14.422 1.541 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.902 -14.175 3.811 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.644 -12.975 3.238 1.00 0.82 C ATOM 1883 CD LYS A 126 -15.047 -13.217 1.791 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.796 -12.032 1.211 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.282 -12.304 -0.168 1.00 1.96 N ATOM 0 H LYS A 126 -12.831 -12.419 5.146 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.927 -14.954 4.172 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -14.137 -15.053 3.210 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -14.272 -14.369 4.818 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.532 -12.773 3.837 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -14.011 -12.090 3.299 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -14.157 -13.413 1.193 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -15.673 -14.107 1.732 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.643 -11.788 1.853 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -15.143 -11.160 1.200 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.788 -11.470 -0.528 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -15.472 -12.512 -0.787 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.926 -13.121 -0.154 1.00 1.96 H new ATOM 1899 N GLN A 127 -11.205 -12.476 2.413 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.662 -11.950 1.169 1.00 0.64 C ATOM 1901 C GLN A 127 -11.788 -11.553 0.225 1.00 0.63 C ATOM 1902 O GLN A 127 -12.152 -12.309 -0.672 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.725 -12.960 0.496 1.00 0.79 C ATOM 1904 CG GLN A 127 -9.122 -12.457 -0.801 1.00 1.28 C ATOM 1905 CD GLN A 127 -8.275 -13.500 -1.504 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -7.694 -14.376 -0.867 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -8.197 -13.413 -2.824 1.00 1.62 N ATOM 0 H GLN A 127 -11.069 -11.860 3.214 1.00 0.63 H new ATOM 0 HA GLN A 127 -10.076 -11.063 1.408 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.921 -13.213 1.187 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -10.277 -13.879 0.298 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -9.923 -12.138 -1.468 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -8.510 -11.579 -0.594 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -8.694 -12.671 -3.316 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -7.640 -14.088 -3.348 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.379 -10.388 0.460 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.412 -9.919 -0.425 1.00 0.50 C ATOM 1918 C GLY A 128 -12.973 -8.736 -1.257 1.00 0.45 C ATOM 1919 O GLY A 128 -13.795 -7.919 -1.654 1.00 0.77 O ATOM 0 H GLY A 128 -12.160 -9.769 1.241 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.715 -10.731 -1.086 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.288 -9.641 0.161 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.680 -8.629 -1.525 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.184 -7.484 -2.265 1.00 0.63 C ATOM 1925 C PHE A 129 -11.242 -7.731 -3.770 1.00 0.58 C ATOM 1926 O PHE A 129 -10.734 -8.730 -4.269 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.764 -7.077 -1.829 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.691 -8.131 -1.952 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.070 -8.365 -3.165 1.00 0.75 C ATOM 1930 CD2 PHE A 129 -8.336 -8.915 -0.862 1.00 1.02 C ATOM 1931 CE1 PHE A 129 -7.111 -9.353 -3.291 1.00 0.89 C ATOM 1932 CE2 PHE A 129 -7.379 -9.905 -0.982 1.00 1.21 C ATOM 1933 CZ PHE A 129 -6.664 -10.024 -2.160 1.00 1.14 C ATOM 0 H PHE A 129 -10.970 -9.307 -1.247 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.843 -6.648 -2.030 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.461 -6.212 -2.419 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.806 -6.754 -0.789 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -8.337 -7.769 -4.025 1.00 0.75 H new ATOM 0 HD2 PHE A 129 -8.814 -8.749 0.092 1.00 1.02 H new ATOM 0 HE1 PHE A 129 -6.712 -9.602 -4.263 1.00 0.89 H new ATOM 0 HE2 PHE A 129 -7.191 -10.581 -0.161 1.00 1.21 H new ATOM 0 HZ PHE A 129 -5.771 -10.630 -2.200 1.00 1.14 H new ATOM 1943 N THR A 130 -11.878 -6.818 -4.481 1.00 0.61 N ATOM 1944 CA THR A 130 -11.940 -6.882 -5.932 1.00 0.63 C ATOM 1945 C THR A 130 -11.180 -5.702 -6.534 1.00 0.60 C ATOM 1946 O THR A 130 -11.330 -4.567 -6.075 1.00 0.67 O ATOM 1947 CB THR A 130 -13.407 -6.867 -6.417 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.123 -7.959 -5.826 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.497 -6.964 -7.935 1.00 0.90 C ATOM 0 H THR A 130 -12.362 -6.018 -4.075 1.00 0.61 H new ATOM 0 HA THR A 130 -11.479 -7.814 -6.259 1.00 0.63 H new ATOM 0 HB THR A 130 -13.850 -5.920 -6.111 1.00 0.73 H new ATOM 0 HG1 THR A 130 -15.053 -7.945 -6.134 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.544 -6.951 -8.239 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.977 -6.118 -8.385 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.034 -7.893 -8.268 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.307 -5.958 -7.522 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.568 -4.901 -8.223 1.00 0.65 C ATOM 1959 C PRO A 131 -10.501 -3.937 -8.958 1.00 0.63 C ATOM 1960 O PRO A 131 -11.309 -4.352 -9.792 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.688 -5.669 -9.218 1.00 0.80 C ATOM 1962 CG PRO A 131 -9.326 -7.010 -9.351 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.961 -7.299 -8.025 1.00 0.75 C ATOM 0 HA PRO A 131 -8.998 -4.277 -7.535 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.643 -5.158 -10.180 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.664 -5.754 -8.854 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -10.070 -7.011 -10.148 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -8.587 -7.770 -9.604 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.843 -7.931 -8.129 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.276 -7.817 -7.354 1.00 0.75 H new ATOM 1971 N SER A 132 -10.400 -2.658 -8.627 1.00 0.55 N ATOM 1972 CA SER A 132 -11.262 -1.638 -9.211 1.00 0.57 C ATOM 1973 C SER A 132 -10.581 -0.272 -9.146 1.00 0.56 C ATOM 1974 O SER A 132 -10.217 0.201 -8.068 1.00 0.73 O ATOM 1975 CB SER A 132 -12.609 -1.596 -8.479 1.00 0.64 C ATOM 1976 OG SER A 132 -13.280 -2.845 -8.556 1.00 1.52 O ATOM 0 H SER A 132 -9.725 -2.299 -7.952 1.00 0.55 H new ATOM 0 HA SER A 132 -11.442 -1.890 -10.256 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.449 -1.331 -7.434 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.236 -0.817 -8.913 1.00 0.64 H new ATOM 0 HG SER A 132 -13.898 -2.931 -7.801 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.413 0.354 -10.296 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.717 1.621 -10.356 1.00 0.57 C ATOM 1984 C GLY A 133 -8.496 1.534 -11.241 1.00 0.62 C ATOM 1985 O GLY A 133 -8.614 1.274 -12.437 1.00 1.17 O ATOM 0 H GLY A 133 -10.747 0.007 -11.195 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.390 2.390 -10.735 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.420 1.923 -9.352 1.00 0.57 H new ATOM 1989 N THR A 134 -7.322 1.747 -10.668 1.00 0.62 N ATOM 1990 CA THR A 134 -6.083 1.603 -11.413 1.00 0.97 C ATOM 1991 C THR A 134 -5.081 0.761 -10.631 1.00 0.68 C ATOM 1992 O THR A 134 -5.370 0.309 -9.520 1.00 0.95 O ATOM 1993 CB THR A 134 -5.456 2.976 -11.743 1.00 1.77 C ATOM 1994 OG1 THR A 134 -5.402 3.797 -10.567 1.00 2.38 O ATOM 1995 CG2 THR A 134 -6.241 3.693 -12.830 1.00 2.47 C ATOM 0 H THR A 134 -7.202 2.019 -9.692 1.00 0.62 H new ATOM 0 HA THR A 134 -6.325 1.101 -12.350 1.00 0.97 H new ATOM 0 HB THR A 134 -4.444 2.799 -12.107 1.00 1.77 H new ATOM 0 HG1 THR A 134 -4.483 4.105 -10.425 1.00 2.38 H new ATOM 0 HG21 THR A 134 -5.775 4.656 -13.040 1.00 2.47 H new ATOM 0 HG22 THR A 134 -6.245 3.087 -13.736 1.00 2.47 H new ATOM 0 HG23 THR A 134 -7.266 3.851 -12.494 1.00 2.47 H new ATOM 2003 N THR A 135 -3.921 0.532 -11.223 1.00 0.72 N ATOM 2004 CA THR A 135 -2.823 -0.104 -10.526 1.00 0.70 C ATOM 2005 C THR A 135 -1.576 0.779 -10.651 1.00 0.64 C ATOM 2006 O THR A 135 -0.957 0.883 -11.713 1.00 0.88 O ATOM 2007 CB THR A 135 -2.585 -1.549 -11.048 1.00 1.08 C ATOM 2008 OG1 THR A 135 -1.550 -2.199 -10.302 1.00 1.82 O ATOM 2009 CG2 THR A 135 -2.241 -1.577 -12.533 1.00 1.27 C ATOM 0 H THR A 135 -3.718 0.780 -12.191 1.00 0.72 H new ATOM 0 HA THR A 135 -3.068 -0.205 -9.469 1.00 0.70 H new ATOM 0 HB THR A 135 -3.522 -2.088 -10.910 1.00 1.08 H new ATOM 0 HG1 THR A 135 -1.419 -3.107 -10.647 1.00 1.82 H new ATOM 0 HG21 THR A 135 -2.084 -2.608 -12.851 1.00 1.27 H new ATOM 0 HG22 THR A 135 -3.061 -1.142 -13.105 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.332 -1.001 -12.707 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.252 1.470 -9.568 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.192 2.453 -9.602 1.00 0.58 C ATOM 2019 C GLY A 136 1.092 1.937 -8.995 1.00 0.45 C ATOM 2020 O GLY A 136 1.067 1.195 -8.019 1.00 0.67 O ATOM 0 H GLY A 136 -1.708 1.365 -8.662 1.00 0.52 H new ATOM 0 HA2 GLY A 136 -0.009 2.750 -10.635 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.511 3.346 -9.065 1.00 0.58 H new ATOM 2024 N THR A 137 2.216 2.325 -9.566 1.00 0.38 N ATOM 2025 CA THR A 137 3.503 1.859 -9.088 1.00 0.33 C ATOM 2026 C THR A 137 4.178 2.917 -8.227 1.00 0.33 C ATOM 2027 O THR A 137 4.475 4.019 -8.693 1.00 0.39 O ATOM 2028 CB THR A 137 4.435 1.480 -10.257 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.810 0.485 -11.081 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.764 0.945 -9.741 1.00 0.50 C ATOM 0 H THR A 137 2.264 2.962 -10.361 1.00 0.38 H new ATOM 0 HA THR A 137 3.318 0.969 -8.486 1.00 0.33 H new ATOM 0 HB THR A 137 4.623 2.379 -10.845 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.857 -0.386 -10.634 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.404 0.685 -10.584 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.253 1.709 -9.136 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.588 0.058 -9.132 1.00 0.50 H new ATOM 2038 N THR A 138 4.399 2.587 -6.967 1.00 0.32 N ATOM 2039 CA THR A 138 5.158 3.445 -6.088 1.00 0.36 C ATOM 2040 C THR A 138 6.636 3.117 -6.244 1.00 0.37 C ATOM 2041 O THR A 138 7.079 2.025 -5.891 1.00 0.38 O ATOM 2042 CB THR A 138 4.733 3.267 -4.621 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.305 3.342 -4.520 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.363 4.339 -3.745 1.00 0.52 C ATOM 0 H THR A 138 4.061 1.728 -6.533 1.00 0.32 H new ATOM 0 HA THR A 138 4.968 4.483 -6.360 1.00 0.36 H new ATOM 0 HB THR A 138 5.075 2.291 -4.277 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.037 3.227 -3.585 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.049 4.195 -2.711 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.449 4.269 -3.808 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.043 5.323 -4.087 1.00 0.52 H new ATOM 2052 N LYS A 139 7.388 4.036 -6.811 1.00 0.41 N ATOM 2053 CA LYS A 139 8.791 3.794 -7.054 1.00 0.44 C ATOM 2054 C LYS A 139 9.622 4.441 -5.975 1.00 0.44 C ATOM 2055 O LYS A 139 9.724 5.666 -5.880 1.00 0.49 O ATOM 2056 CB LYS A 139 9.196 4.302 -8.434 1.00 0.53 C ATOM 2057 CG LYS A 139 10.608 3.906 -8.838 1.00 0.59 C ATOM 2058 CD LYS A 139 10.932 4.355 -10.254 1.00 1.21 C ATOM 2059 CE LYS A 139 9.966 3.758 -11.264 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.264 4.210 -12.646 1.00 2.18 N ATOM 0 H LYS A 139 7.053 4.952 -7.110 1.00 0.41 H new ATOM 0 HA LYS A 139 8.970 2.719 -7.030 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.494 3.918 -9.174 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.113 5.389 -8.451 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.323 4.347 -8.143 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.718 2.824 -8.765 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.892 5.443 -10.310 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.951 4.061 -10.506 1.00 1.21 H new ATOM 0 HE2 LYS A 139 10.019 2.670 -11.218 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.946 4.039 -11.002 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.584 3.781 -13.306 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 10.189 5.246 -12.696 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 11.228 3.920 -12.906 1.00 2.18 H new ATOM 2074 N LEU A 140 10.192 3.597 -5.150 1.00 0.45 N ATOM 2075 CA LEU A 140 11.039 4.039 -4.075 1.00 0.44 C ATOM 2076 C LEU A 140 12.500 3.811 -4.443 1.00 0.39 C ATOM 2077 O LEU A 140 13.034 2.710 -4.297 1.00 0.40 O ATOM 2078 CB LEU A 140 10.664 3.309 -2.784 1.00 0.46 C ATOM 2079 CG LEU A 140 11.686 3.418 -1.659 1.00 0.53 C ATOM 2080 CD1 LEU A 140 11.897 4.872 -1.253 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.257 2.587 -0.466 1.00 0.62 C ATOM 0 H LEU A 140 10.080 2.585 -5.207 1.00 0.45 H new ATOM 0 HA LEU A 140 10.896 5.107 -3.909 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.711 3.700 -2.427 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.510 2.255 -3.013 1.00 0.46 H new ATOM 0 HG LEU A 140 12.636 3.029 -2.026 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.631 4.922 -0.449 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.258 5.440 -2.110 1.00 0.63 H new ATOM 0 HD13 LEU A 140 10.953 5.295 -0.910 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.000 2.678 0.327 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.293 2.943 -0.103 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.170 1.542 -0.763 1.00 0.62 H new ATOM 2093 N THR A 141 13.128 4.854 -4.953 1.00 0.39 N ATOM 2094 CA THR A 141 14.520 4.793 -5.342 1.00 0.38 C ATOM 2095 C THR A 141 15.379 5.418 -4.251 1.00 0.34 C ATOM 2096 O THR A 141 14.951 6.357 -3.585 1.00 0.40 O ATOM 2097 CB THR A 141 14.751 5.535 -6.676 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.760 5.135 -7.633 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.139 5.243 -7.233 1.00 0.54 C ATOM 0 H THR A 141 12.689 5.761 -5.108 1.00 0.39 H new ATOM 0 HA THR A 141 14.798 3.748 -5.478 1.00 0.38 H new ATOM 0 HB THR A 141 14.672 6.605 -6.486 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.910 5.610 -8.477 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.274 5.779 -8.173 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.894 5.569 -6.518 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.243 4.172 -7.408 1.00 0.54 H new ATOM 2107 N VAL A 142 16.561 4.869 -4.023 1.00 0.44 N ATOM 2108 CA VAL A 142 17.488 5.466 -3.075 1.00 0.57 C ATOM 2109 C VAL A 142 18.255 6.597 -3.754 1.00 0.77 C ATOM 2110 O VAL A 142 18.567 6.514 -4.943 1.00 1.10 O ATOM 2111 CB VAL A 142 18.466 4.417 -2.496 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.322 3.799 -3.591 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.339 5.025 -1.408 1.00 1.74 C ATOM 0 H VAL A 142 16.899 4.020 -4.476 1.00 0.44 H new ATOM 0 HA VAL A 142 16.913 5.868 -2.240 1.00 0.57 H new ATOM 0 HB VAL A 142 17.870 3.623 -2.047 1.00 0.80 H new ATOM 0 HG11 VAL A 142 19.999 3.066 -3.153 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.679 3.308 -4.322 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.902 4.580 -4.084 1.00 1.69 H new ATOM 0 HG21 VAL A 142 20.017 4.265 -1.019 1.00 1.74 H new ATOM 0 HG22 VAL A 142 19.918 5.849 -1.824 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.708 5.397 -0.601 1.00 1.74 H new ATOM 2123 N THR A 143 18.517 7.660 -3.008 1.00 0.85 N ATOM 2124 CA THR A 143 19.216 8.818 -3.533 1.00 1.18 C ATOM 2125 C THR A 143 20.635 8.462 -3.975 1.00 1.82 C ATOM 2126 O THR A 143 21.487 8.195 -3.102 1.00 2.22 O ATOM 2127 CB THR A 143 19.249 9.950 -2.488 1.00 1.54 C ATOM 2128 OG1 THR A 143 19.178 9.396 -1.163 1.00 2.04 O ATOM 2129 CG2 THR A 143 18.098 10.922 -2.699 1.00 1.94 C ATOM 2130 OXT THR A 143 20.893 8.444 -5.196 1.00 2.58 O ATOM 0 H THR A 143 18.251 7.742 -2.027 1.00 0.85 H new ATOM 0 HA THR A 143 18.669 9.164 -4.410 1.00 1.18 H new ATOM 0 HB THR A 143 20.186 10.495 -2.606 1.00 1.54 H new ATOM 0 HG1 THR A 143 19.201 10.121 -0.504 1.00 2.04 H new ATOM 0 HG21 THR A 143 18.145 11.711 -1.948 1.00 1.94 H new ATOM 0 HG22 THR A 143 18.172 11.363 -3.693 1.00 1.94 H new ATOM 0 HG23 THR A 143 17.151 10.390 -2.607 1.00 1.94 H new TER 2138 THR A 143