USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 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 113 THR OG1 : rot 180:sc= 1.11 USER MOD Set 1.2: A 139 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 130 THR OG1 : rot 136:sc= 0.0548 USER MOD Set 3.1: A 111 ASN : amide:sc= 0.408 K(o=1.1,f=-4.7!) USER MOD Set 3.2: A 141 THR OG1 : rot -32:sc= 0.676 USER MOD Set 4.1: A 104 GLN : amide:sc= -1.03 K(o=-1,f=-5.9!) USER MOD Set 4.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 103 GLN : amide:sc= -0.881 K(o=-0.88,f=-1.5) USER MOD Single : A 1 GLU N :NH3+ -147:sc= -1.21 (180deg=-3.05!) USER MOD Single : A 4 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.31) 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= 0.00601 USER MOD Single : A 18 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.23) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 31 GLN : amide:sc= 0.631 K(o=0.63,f=-4.9!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 39 GLN : amide:sc= -3.07! C(o=-3.1!,f=-2.5!) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 1.52 (180deg=1.45) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.9 K(o=-1.9,f=-6.5!) USER MOD Single : A 51 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.51) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0221 (180deg=-0.212) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.011) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0561 (180deg=-0.223) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.63! C(o=-1.6!,f=-5.2!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 75 SER OG : rot -132:sc= 1.2 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 75:sc= 0.985 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= 1.61 (180deg=-0.295!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -39:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 136:sc= 0.0539 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 106 ASN : amide:sc= -0.147 K(o=-0.15,f=-7.9!) USER MOD Single : A 112 TYR OH : rot 169:sc= 0.439 USER MOD Single : A 115 THR OG1 : rot 66:sc= 0.732 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 165:sc= -0.0835 (180deg=-0.384) USER MOD Single : A 125 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD Single : A 132 SER OG : rot 155:sc= 0.499 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -13:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.465 6.378 -9.966 1.00 4.07 N ATOM 2 CA GLU A 1 -19.566 4.990 -10.473 1.00 3.34 C ATOM 3 C GLU A 1 -18.836 4.037 -9.544 1.00 2.61 C ATOM 4 O GLU A 1 -17.628 4.178 -9.348 1.00 3.01 O ATOM 5 CB GLU A 1 -18.968 4.875 -11.883 1.00 4.00 C ATOM 6 CG GLU A 1 -19.750 5.606 -12.968 1.00 4.80 C ATOM 7 CD GLU A 1 -19.821 7.099 -12.740 1.00 5.32 C ATOM 8 OE1 GLU A 1 -18.756 7.743 -12.657 1.00 5.73 O ATOM 9 OE2 GLU A 1 -20.939 7.636 -12.668 1.00 5.64 O ATOM 0 H1 GLU A 1 -20.332 6.899 -10.206 1.00 4.07 H new ATOM 0 H2 GLU A 1 -19.345 6.362 -8.933 1.00 4.07 H new ATOM 0 H3 GLU A 1 -18.646 6.848 -10.402 1.00 4.07 H new ATOM 0 HA GLU A 1 -20.623 4.726 -10.514 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -17.950 5.263 -11.864 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -18.902 3.820 -12.150 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -19.286 5.413 -13.935 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -20.761 5.202 -13.014 1.00 4.80 H new ATOM 16 N GLU A 2 -19.592 3.083 -8.977 1.00 1.89 N ATOM 17 CA GLU A 2 -19.063 2.009 -8.123 1.00 1.43 C ATOM 18 C GLU A 2 -18.050 2.524 -7.094 1.00 1.13 C ATOM 19 O GLU A 2 -18.160 3.655 -6.618 1.00 1.31 O ATOM 20 CB GLU A 2 -18.472 0.895 -8.995 1.00 1.72 C ATOM 21 CG GLU A 2 -17.192 1.270 -9.705 1.00 1.73 C ATOM 22 CD GLU A 2 -16.738 0.209 -10.678 1.00 2.37 C ATOM 23 OE1 GLU A 2 -16.366 -0.892 -10.222 1.00 3.08 O ATOM 24 OE2 GLU A 2 -16.714 0.479 -11.896 1.00 2.54 O ATOM 0 H GLU A 2 -20.603 3.036 -9.101 1.00 1.89 H new ATOM 0 HA GLU A 2 -19.892 1.599 -7.546 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -18.284 0.022 -8.370 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -19.213 0.601 -9.739 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -17.338 2.209 -10.239 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -16.408 1.441 -8.967 1.00 1.73 H new ATOM 31 N CYS A 3 -17.115 1.673 -6.700 1.00 1.08 N ATOM 32 CA CYS A 3 -16.034 2.079 -5.820 1.00 0.96 C ATOM 33 C CYS A 3 -14.716 2.061 -6.585 1.00 0.83 C ATOM 34 O CYS A 3 -14.012 1.050 -6.610 1.00 0.96 O ATOM 35 CB CYS A 3 -15.958 1.153 -4.603 1.00 1.25 C ATOM 36 SG CYS A 3 -14.692 1.625 -3.378 1.00 1.43 S ATOM 0 H CYS A 3 -17.085 0.692 -6.978 1.00 1.08 H new ATOM 0 HA CYS A 3 -16.226 3.092 -5.466 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -16.932 1.135 -4.113 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -15.755 0.138 -4.945 1.00 1.25 H new ATOM 41 N GLN A 4 -14.406 3.169 -7.242 1.00 0.67 N ATOM 42 CA GLN A 4 -13.210 3.254 -8.056 1.00 0.59 C ATOM 43 C GLN A 4 -12.126 4.053 -7.342 1.00 0.54 C ATOM 44 O GLN A 4 -12.248 5.263 -7.157 1.00 0.53 O ATOM 45 CB GLN A 4 -13.536 3.884 -9.411 1.00 0.59 C ATOM 46 CG GLN A 4 -12.324 4.023 -10.309 1.00 1.45 C ATOM 47 CD GLN A 4 -12.654 4.573 -11.684 1.00 1.65 C ATOM 48 OE1 GLN A 4 -11.983 4.256 -12.665 1.00 2.29 O ATOM 49 NE2 GLN A 4 -13.685 5.399 -11.771 1.00 1.92 N ATOM 0 H GLN A 4 -14.968 4.020 -7.225 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.834 2.245 -8.222 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -14.287 3.277 -9.916 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.977 4.868 -9.251 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -11.598 4.678 -9.828 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -11.849 3.048 -10.420 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -14.218 5.639 -10.935 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -13.946 5.795 -12.674 1.00 1.92 H new ATOM 58 N VAL A 5 -11.061 3.371 -6.952 1.00 0.56 N ATOM 59 CA VAL A 5 -9.989 3.998 -6.195 1.00 0.57 C ATOM 60 C VAL A 5 -8.752 4.179 -7.063 1.00 0.57 C ATOM 61 O VAL A 5 -8.257 3.224 -7.663 1.00 0.66 O ATOM 62 CB VAL A 5 -9.619 3.160 -4.952 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.592 3.882 -4.092 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.865 2.835 -4.144 1.00 1.51 C ATOM 0 H VAL A 5 -10.916 2.381 -7.148 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.349 4.974 -5.869 1.00 0.57 H new ATOM 0 HB VAL A 5 -9.172 2.226 -5.291 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.350 3.270 -3.224 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.688 4.058 -4.675 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.002 4.836 -3.760 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.589 2.244 -3.271 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -11.340 3.761 -3.820 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.561 2.267 -4.761 1.00 1.51 H new ATOM 74 N ARG A 6 -8.260 5.406 -7.143 1.00 0.57 N ATOM 75 CA ARG A 6 -7.066 5.680 -7.927 1.00 0.64 C ATOM 76 C ARG A 6 -5.819 5.584 -7.059 1.00 0.58 C ATOM 77 O ARG A 6 -5.830 5.964 -5.887 1.00 0.65 O ATOM 78 CB ARG A 6 -7.130 7.064 -8.585 1.00 0.80 C ATOM 79 CG ARG A 6 -7.000 8.226 -7.613 1.00 1.47 C ATOM 80 CD ARG A 6 -6.797 9.545 -8.344 1.00 1.67 C ATOM 81 NE ARG A 6 -7.952 9.905 -9.168 1.00 1.92 N ATOM 82 CZ ARG A 6 -7.867 10.475 -10.371 1.00 2.75 C ATOM 83 NH1 ARG A 6 -6.684 10.732 -10.905 1.00 3.23 N ATOM 84 NH2 ARG A 6 -8.973 10.794 -11.031 1.00 3.57 N ATOM 0 H ARG A 6 -8.664 6.220 -6.680 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.016 4.927 -8.714 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -6.336 7.137 -9.328 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -8.076 7.156 -9.119 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -7.895 8.286 -6.994 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -6.160 8.048 -6.942 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -6.611 10.336 -7.617 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -5.911 9.476 -8.975 1.00 1.67 H new ATOM 0 HE ARG A 6 -8.882 9.707 -8.798 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -5.832 10.494 -10.397 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -6.624 11.168 -11.825 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -9.886 10.603 -10.618 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -8.910 11.230 -11.951 1.00 3.57 H new ATOM 98 N VAL A 7 -4.754 5.056 -7.640 1.00 0.58 N ATOM 99 CA VAL A 7 -3.456 5.028 -6.993 1.00 0.57 C ATOM 100 C VAL A 7 -2.461 5.784 -7.859 1.00 0.68 C ATOM 101 O VAL A 7 -2.185 5.380 -8.989 1.00 0.85 O ATOM 102 CB VAL A 7 -2.949 3.584 -6.772 1.00 0.64 C ATOM 103 CG1 VAL A 7 -1.615 3.589 -6.038 1.00 1.20 C ATOM 104 CG2 VAL A 7 -3.975 2.758 -6.010 1.00 1.26 C ATOM 0 H VAL A 7 -4.766 4.637 -8.570 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.554 5.496 -6.014 1.00 0.57 H new ATOM 0 HB VAL A 7 -2.802 3.125 -7.750 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -1.276 2.563 -5.893 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -0.878 4.135 -6.627 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -1.735 4.072 -5.068 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -3.595 1.747 -5.867 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.162 3.216 -5.039 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -4.905 2.719 -6.577 1.00 1.26 H new ATOM 114 N GLY A 8 -1.946 6.886 -7.340 1.00 0.77 N ATOM 115 CA GLY A 8 -1.023 7.696 -8.103 1.00 0.96 C ATOM 116 C GLY A 8 0.334 7.043 -8.246 1.00 0.75 C ATOM 117 O GLY A 8 0.941 6.637 -7.253 1.00 0.86 O ATOM 0 H GLY A 8 -2.151 7.234 -6.403 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.440 7.882 -9.093 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -0.908 8.665 -7.618 1.00 0.96 H new ATOM 121 N ASP A 9 0.798 6.919 -9.483 1.00 0.57 N ATOM 122 CA ASP A 9 2.132 6.398 -9.750 1.00 0.45 C ATOM 123 C ASP A 9 3.173 7.391 -9.263 1.00 0.50 C ATOM 124 O ASP A 9 3.404 8.429 -9.887 1.00 0.73 O ATOM 125 CB ASP A 9 2.337 6.130 -11.243 1.00 0.56 C ATOM 126 CG ASP A 9 1.431 5.042 -11.786 1.00 1.37 C ATOM 127 OD1 ASP A 9 1.734 3.851 -11.579 1.00 2.18 O ATOM 128 OD2 ASP A 9 0.420 5.371 -12.445 1.00 1.77 O ATOM 0 H ASP A 9 0.269 7.172 -10.318 1.00 0.57 H new ATOM 0 HA ASP A 9 2.241 5.453 -9.217 1.00 0.45 H new ATOM 0 HB2 ASP A 9 2.160 7.051 -11.798 1.00 0.56 H new ATOM 0 HB3 ASP A 9 3.376 5.848 -11.415 1.00 0.56 H new ATOM 133 N LEU A 10 3.783 7.081 -8.139 1.00 0.52 N ATOM 134 CA LEU A 10 4.745 7.976 -7.521 1.00 0.65 C ATOM 135 C LEU A 10 6.160 7.467 -7.724 1.00 0.49 C ATOM 136 O LEU A 10 6.384 6.267 -7.878 1.00 0.57 O ATOM 137 CB LEU A 10 4.473 8.107 -6.017 1.00 0.95 C ATOM 138 CG LEU A 10 3.087 8.620 -5.628 1.00 0.76 C ATOM 139 CD1 LEU A 10 2.989 8.774 -4.120 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.784 9.941 -6.319 1.00 1.41 C ATOM 0 H LEU A 10 3.630 6.211 -7.630 1.00 0.52 H new ATOM 0 HA LEU A 10 4.641 8.952 -7.995 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.620 7.131 -5.555 1.00 0.95 H new ATOM 0 HB3 LEU A 10 5.219 8.777 -5.590 1.00 0.95 H new ATOM 0 HG LEU A 10 2.346 7.890 -5.955 1.00 0.76 H new ATOM 0 HD11 LEU A 10 1.997 9.140 -3.855 1.00 1.05 H new ATOM 0 HD12 LEU A 10 3.158 7.808 -3.644 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.741 9.484 -3.777 1.00 1.05 H new ATOM 0 HD21 LEU A 10 1.792 10.286 -6.026 1.00 1.41 H new ATOM 0 HD22 LEU A 10 3.527 10.683 -6.027 1.00 1.41 H new ATOM 0 HD23 LEU A 10 2.815 9.802 -7.400 1.00 1.41 H new ATOM 152 N THR A 11 7.110 8.381 -7.738 1.00 0.49 N ATOM 153 CA THR A 11 8.513 8.016 -7.747 1.00 0.47 C ATOM 154 C THR A 11 9.250 8.850 -6.707 1.00 0.53 C ATOM 155 O THR A 11 9.336 10.073 -6.824 1.00 0.66 O ATOM 156 CB THR A 11 9.141 8.230 -9.136 1.00 0.63 C ATOM 157 OG1 THR A 11 8.306 7.630 -10.137 1.00 1.03 O ATOM 158 CG2 THR A 11 10.533 7.615 -9.199 1.00 0.99 C ATOM 0 H THR A 11 6.935 9.386 -7.743 1.00 0.49 H new ATOM 0 HA THR A 11 8.599 6.956 -7.506 1.00 0.47 H new ATOM 0 HB THR A 11 9.226 9.301 -9.318 1.00 0.63 H new ATOM 0 HG1 THR A 11 8.705 7.768 -11.021 1.00 1.03 H new ATOM 0 HG21 THR A 11 10.958 7.778 -10.189 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.171 8.082 -8.449 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.467 6.545 -9.004 1.00 0.99 H new ATOM 166 N VAL A 12 9.762 8.191 -5.680 1.00 0.52 N ATOM 167 CA VAL A 12 10.394 8.881 -4.570 1.00 0.63 C ATOM 168 C VAL A 12 11.859 8.478 -4.462 1.00 0.48 C ATOM 169 O VAL A 12 12.211 7.317 -4.676 1.00 0.57 O ATOM 170 CB VAL A 12 9.677 8.572 -3.234 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.273 9.384 -2.092 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.181 8.833 -3.348 1.00 1.45 C ATOM 0 H VAL A 12 9.751 7.175 -5.593 1.00 0.52 H new ATOM 0 HA VAL A 12 10.322 9.951 -4.763 1.00 0.63 H new ATOM 0 HB VAL A 12 9.826 7.515 -3.014 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.750 9.147 -1.165 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.330 9.140 -1.985 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.166 10.447 -2.307 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.699 8.609 -2.396 1.00 1.45 H new ATOM 0 HG22 VAL A 12 8.013 9.879 -3.602 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.759 8.198 -4.127 1.00 1.45 H new ATOM 182 N ALA A 13 12.710 9.442 -4.163 1.00 0.44 N ATOM 183 CA ALA A 13 14.122 9.173 -3.962 1.00 0.43 C ATOM 184 C ALA A 13 14.497 9.416 -2.507 1.00 0.45 C ATOM 185 O ALA A 13 14.613 10.561 -2.073 1.00 0.57 O ATOM 186 CB ALA A 13 14.964 10.036 -4.886 1.00 0.59 C ATOM 0 H ALA A 13 12.447 10.421 -4.054 1.00 0.44 H new ATOM 0 HA ALA A 13 14.319 8.128 -4.201 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.020 9.822 -4.722 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.706 9.818 -5.922 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.771 11.088 -4.677 1.00 0.59 H new ATOM 192 N LYS A 14 14.653 8.337 -1.753 1.00 0.43 N ATOM 193 CA LYS A 14 15.015 8.425 -0.344 1.00 0.50 C ATOM 194 C LYS A 14 15.477 7.061 0.146 1.00 0.41 C ATOM 195 O LYS A 14 15.438 6.083 -0.605 1.00 0.41 O ATOM 196 CB LYS A 14 13.824 8.920 0.491 1.00 0.67 C ATOM 197 CG LYS A 14 14.220 9.879 1.595 1.00 1.47 C ATOM 198 CD LYS A 14 13.182 10.971 1.796 1.00 2.23 C ATOM 199 CE LYS A 14 13.131 11.920 0.603 1.00 2.52 C ATOM 200 NZ LYS A 14 12.337 13.142 0.901 1.00 3.42 N ATOM 0 H LYS A 14 14.534 7.384 -2.096 1.00 0.43 H new ATOM 0 HA LYS A 14 15.828 9.142 -0.230 1.00 0.50 H new ATOM 0 HB2 LYS A 14 13.108 9.411 -0.167 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.316 8.061 0.931 1.00 0.67 H new ATOM 0 HG2 LYS A 14 14.351 9.327 2.526 1.00 1.47 H new ATOM 0 HG3 LYS A 14 15.182 10.332 1.355 1.00 1.47 H new ATOM 0 HD2 LYS A 14 12.201 10.519 1.945 1.00 2.23 H new ATOM 0 HD3 LYS A 14 13.415 11.534 2.700 1.00 2.23 H new ATOM 0 HE2 LYS A 14 14.145 12.205 0.322 1.00 2.52 H new ATOM 0 HE3 LYS A 14 12.696 11.404 -0.253 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 12.326 13.761 0.066 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 11.363 12.872 1.144 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 12.766 13.648 1.702 1.00 3.42 H new ATOM 214 N THR A 15 15.918 6.997 1.391 1.00 0.46 N ATOM 215 CA THR A 15 16.391 5.756 1.979 1.00 0.44 C ATOM 216 C THR A 15 15.283 5.078 2.789 1.00 0.44 C ATOM 217 O THR A 15 14.283 5.708 3.129 1.00 0.50 O ATOM 218 CB THR A 15 17.600 6.028 2.894 1.00 0.49 C ATOM 219 OG1 THR A 15 17.278 7.073 3.823 1.00 0.63 O ATOM 220 CG2 THR A 15 18.822 6.429 2.080 1.00 0.52 C ATOM 0 H THR A 15 15.958 7.799 2.019 1.00 0.46 H new ATOM 0 HA THR A 15 16.690 5.092 1.168 1.00 0.44 H new ATOM 0 HB THR A 15 17.832 5.111 3.435 1.00 0.49 H new ATOM 0 HG1 THR A 15 18.048 7.242 4.405 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.661 6.615 2.751 1.00 0.52 H new ATOM 0 HG22 THR A 15 19.080 5.625 1.391 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.602 7.335 1.515 1.00 0.52 H new ATOM 228 N ARG A 16 15.454 3.792 3.096 1.00 0.40 N ATOM 229 CA ARG A 16 14.474 3.089 3.927 1.00 0.43 C ATOM 230 C ARG A 16 14.831 3.294 5.389 1.00 0.46 C ATOM 231 O ARG A 16 14.134 2.822 6.286 1.00 0.55 O ATOM 232 CB ARG A 16 14.388 1.581 3.619 1.00 0.50 C ATOM 233 CG ARG A 16 14.149 1.245 2.149 1.00 0.57 C ATOM 234 CD ARG A 16 15.450 1.223 1.355 1.00 0.68 C ATOM 235 NE ARG A 16 15.222 1.189 -0.086 1.00 1.22 N ATOM 236 CZ ARG A 16 15.077 2.285 -0.834 1.00 2.43 C ATOM 237 NH1 ARG A 16 15.111 3.480 -0.263 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.897 2.188 -2.144 1.00 3.14 N ATOM 0 H ARG A 16 16.244 3.225 2.790 1.00 0.40 H new ATOM 0 HA ARG A 16 13.494 3.509 3.701 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.314 1.104 3.941 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.583 1.148 4.213 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.660 0.274 2.073 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.470 1.978 1.714 1.00 0.57 H new ATOM 0 HD2 ARG A 16 16.041 2.104 1.606 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.037 0.352 1.648 1.00 0.68 H new ATOM 0 HE ARG A 16 15.171 0.280 -0.546 1.00 1.22 H new ATOM 0 HH11 ARG A 16 15.248 3.560 0.745 1.00 3.01 H new ATOM 0 HH12 ARG A 16 15.001 4.320 -0.831 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.868 1.270 -2.588 1.00 3.14 H new ATOM 0 HH22 ARG A 16 14.787 3.031 -2.707 1.00 3.14 H new ATOM 252 N GLY A 17 15.949 3.975 5.611 1.00 0.47 N ATOM 253 CA GLY A 17 16.331 4.369 6.949 1.00 0.58 C ATOM 254 C GLY A 17 15.569 5.600 7.384 1.00 0.61 C ATOM 255 O GLY A 17 15.337 5.807 8.577 1.00 0.75 O ATOM 0 H GLY A 17 16.600 4.262 4.881 1.00 0.47 H new ATOM 0 HA2 GLY A 17 16.137 3.551 7.643 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.402 4.568 6.983 1.00 0.58 H new ATOM 259 N GLN A 18 15.185 6.421 6.403 1.00 0.58 N ATOM 260 CA GLN A 18 14.319 7.565 6.652 1.00 0.70 C ATOM 261 C GLN A 18 12.994 7.060 7.210 1.00 0.64 C ATOM 262 O GLN A 18 12.407 7.652 8.116 1.00 0.72 O ATOM 263 CB GLN A 18 14.093 8.361 5.362 1.00 0.86 C ATOM 264 CG GLN A 18 13.314 9.653 5.564 1.00 1.02 C ATOM 265 CD GLN A 18 14.035 10.652 6.453 1.00 1.49 C ATOM 266 OE1 GLN A 18 13.869 10.656 7.674 1.00 2.00 O ATOM 267 NE2 GLN A 18 14.835 11.513 5.846 1.00 2.17 N ATOM 0 H GLN A 18 15.464 6.310 5.428 1.00 0.58 H new ATOM 0 HA GLN A 18 14.790 8.232 7.374 1.00 0.70 H new ATOM 0 HB2 GLN A 18 15.060 8.597 4.918 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.559 7.734 4.648 1.00 0.86 H new ATOM 0 HG2 GLN A 18 13.124 10.111 4.593 1.00 1.02 H new ATOM 0 HG3 GLN A 18 12.344 9.420 6.002 1.00 1.02 H new ATOM 0 HE21 GLN A 18 14.947 11.478 4.833 1.00 2.17 H new ATOM 0 HE22 GLN A 18 15.340 12.212 6.391 1.00 2.17 H new ATOM 276 N LEU A 19 12.545 5.941 6.657 1.00 0.60 N ATOM 277 CA LEU A 19 11.403 5.219 7.188 1.00 0.62 C ATOM 278 C LEU A 19 11.725 4.703 8.593 1.00 0.78 C ATOM 279 O LEU A 19 12.586 3.840 8.762 1.00 1.61 O ATOM 280 CB LEU A 19 11.056 4.040 6.272 1.00 0.62 C ATOM 281 CG LEU A 19 10.595 4.397 4.860 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.622 3.166 3.968 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.191 4.975 4.895 1.00 0.89 C ATOM 0 H LEU A 19 12.962 5.512 5.831 1.00 0.60 H new ATOM 0 HA LEU A 19 10.549 5.894 7.239 1.00 0.62 H new ATOM 0 HB2 LEU A 19 11.933 3.397 6.194 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.272 3.453 6.751 1.00 0.62 H new ATOM 0 HG LEU A 19 11.277 5.144 4.453 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.291 3.436 2.965 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.637 2.773 3.921 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.957 2.406 4.377 1.00 0.92 H new ATOM 0 HD21 LEU A 19 8.875 5.225 3.882 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.506 4.241 5.318 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.183 5.875 5.510 1.00 0.89 H new ATOM 295 N THR A 20 11.041 5.231 9.595 1.00 0.68 N ATOM 296 CA THR A 20 11.270 4.820 10.972 1.00 0.69 C ATOM 297 C THR A 20 9.948 4.486 11.658 1.00 0.66 C ATOM 298 O THR A 20 9.343 5.343 12.302 1.00 0.73 O ATOM 299 CB THR A 20 12.005 5.918 11.767 1.00 0.80 C ATOM 300 OG1 THR A 20 13.164 6.347 11.039 1.00 1.51 O ATOM 301 CG2 THR A 20 12.426 5.413 13.142 1.00 1.65 C ATOM 0 H THR A 20 10.322 5.946 9.481 1.00 0.68 H new ATOM 0 HA THR A 20 11.898 3.929 10.951 1.00 0.69 H new ATOM 0 HB THR A 20 11.321 6.756 11.903 1.00 0.80 H new ATOM 0 HG1 THR A 20 13.628 7.046 11.546 1.00 1.51 H new ATOM 0 HG21 THR A 20 12.942 6.209 13.680 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.543 5.109 13.704 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.095 4.560 13.027 1.00 1.65 H new ATOM 309 N ASP A 21 9.501 3.241 11.477 1.00 0.61 N ATOM 310 CA ASP A 21 8.229 2.748 12.031 1.00 0.61 C ATOM 311 C ASP A 21 7.031 3.493 11.452 1.00 0.58 C ATOM 312 O ASP A 21 6.307 2.962 10.613 1.00 0.73 O ATOM 313 CB ASP A 21 8.209 2.830 13.560 1.00 0.69 C ATOM 314 CG ASP A 21 9.105 1.795 14.203 1.00 1.18 C ATOM 315 OD1 ASP A 21 8.636 0.665 14.445 1.00 1.38 O ATOM 316 OD2 ASP A 21 10.283 2.106 14.468 1.00 1.83 O ATOM 0 H ASP A 21 10.011 2.540 10.940 1.00 0.61 H new ATOM 0 HA ASP A 21 8.151 1.700 11.741 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.525 3.825 13.872 1.00 0.69 H new ATOM 0 HB3 ASP A 21 7.188 2.694 13.915 1.00 0.69 H new ATOM 321 N ALA A 22 6.829 4.722 11.895 1.00 0.65 N ATOM 322 CA ALA A 22 5.728 5.535 11.417 1.00 0.68 C ATOM 323 C ALA A 22 6.242 6.834 10.813 1.00 0.62 C ATOM 324 O ALA A 22 6.285 7.871 11.474 1.00 0.72 O ATOM 325 CB ALA A 22 4.734 5.810 12.534 1.00 0.82 C ATOM 0 H ALA A 22 7.419 5.180 12.590 1.00 0.65 H new ATOM 0 HA ALA A 22 5.209 4.980 10.635 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.917 6.422 12.151 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.337 4.866 12.908 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.235 6.339 13.345 1.00 0.82 H new ATOM 331 N ALA A 23 6.671 6.752 9.563 1.00 0.59 N ATOM 332 CA ALA A 23 7.131 7.915 8.820 1.00 0.59 C ATOM 333 C ALA A 23 6.771 7.765 7.348 1.00 0.64 C ATOM 334 O ALA A 23 7.436 7.040 6.613 1.00 0.79 O ATOM 335 CB ALA A 23 8.633 8.100 8.986 1.00 0.71 C ATOM 0 H ALA A 23 6.710 5.880 9.036 1.00 0.59 H new ATOM 0 HA ALA A 23 6.636 8.801 9.216 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.956 8.975 8.422 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.868 8.241 10.041 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.152 7.217 8.614 1.00 0.71 H new ATOM 341 N PRO A 24 5.690 8.424 6.911 1.00 0.62 N ATOM 342 CA PRO A 24 5.189 8.306 5.540 1.00 0.72 C ATOM 343 C PRO A 24 6.081 9.008 4.521 1.00 0.78 C ATOM 344 O PRO A 24 6.101 10.237 4.435 1.00 1.12 O ATOM 345 CB PRO A 24 3.815 8.977 5.605 1.00 0.79 C ATOM 346 CG PRO A 24 3.930 9.955 6.722 1.00 0.75 C ATOM 347 CD PRO A 24 4.864 9.332 7.724 1.00 0.63 C ATOM 0 HA PRO A 24 5.158 7.267 5.211 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.571 9.474 4.666 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.026 8.249 5.795 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.319 10.909 6.367 1.00 0.75 H new ATOM 0 HG3 PRO A 24 2.956 10.154 7.168 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.472 10.084 8.227 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.319 8.792 8.499 1.00 0.63 H new ATOM 355 N ILE A 25 6.828 8.224 3.761 1.00 0.58 N ATOM 356 CA ILE A 25 7.686 8.771 2.717 1.00 0.64 C ATOM 357 C ILE A 25 6.990 8.719 1.366 1.00 0.59 C ATOM 358 O ILE A 25 7.245 9.543 0.488 1.00 0.95 O ATOM 359 CB ILE A 25 9.027 8.017 2.650 1.00 0.92 C ATOM 360 CG1 ILE A 25 9.739 8.129 3.994 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.915 8.549 1.530 1.00 1.37 C ATOM 362 CD1 ILE A 25 10.015 9.556 4.423 1.00 2.58 C ATOM 0 H ILE A 25 6.859 7.208 3.845 1.00 0.58 H new ATOM 0 HA ILE A 25 7.889 9.812 2.967 1.00 0.64 H new ATOM 0 HB ILE A 25 8.822 6.969 2.431 1.00 0.92 H new ATOM 0 HG12 ILE A 25 9.133 7.641 4.757 1.00 1.73 H new ATOM 0 HG13 ILE A 25 10.683 7.586 3.941 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.852 7.993 1.514 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.405 8.430 0.574 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.123 9.605 1.701 1.00 1.37 H new ATOM 0 HD11 ILE A 25 10.523 9.554 5.387 1.00 2.58 H new ATOM 0 HD12 ILE A 25 10.647 10.043 3.681 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.074 10.098 4.510 1.00 2.58 H new ATOM 374 N GLY A 26 6.076 7.770 1.213 1.00 0.62 N ATOM 375 CA GLY A 26 5.304 7.702 -0.010 1.00 0.74 C ATOM 376 C GLY A 26 3.806 7.872 0.202 1.00 0.56 C ATOM 377 O GLY A 26 3.038 6.998 -0.187 1.00 0.65 O ATOM 0 H GLY A 26 5.858 7.054 1.906 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.655 8.474 -0.694 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.487 6.742 -0.492 1.00 0.74 H new ATOM 381 N PRO A 27 3.348 8.965 0.854 1.00 0.48 N ATOM 382 CA PRO A 27 1.921 9.303 0.911 1.00 0.44 C ATOM 383 C PRO A 27 1.310 9.451 -0.482 1.00 0.48 C ATOM 384 O PRO A 27 1.667 10.356 -1.241 1.00 0.61 O ATOM 385 CB PRO A 27 1.884 10.648 1.653 1.00 0.51 C ATOM 386 CG PRO A 27 3.289 11.148 1.626 1.00 0.66 C ATOM 387 CD PRO A 27 4.151 9.922 1.622 1.00 0.67 C ATOM 0 HA PRO A 27 1.343 8.521 1.404 1.00 0.44 H new ATOM 0 HB2 PRO A 27 1.207 11.349 1.164 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.530 10.524 2.676 1.00 0.51 H new ATOM 0 HG2 PRO A 27 3.471 11.759 0.742 1.00 0.66 H new ATOM 0 HG3 PRO A 27 3.500 11.773 2.494 1.00 0.66 H new ATOM 0 HD2 PRO A 27 5.117 10.108 1.153 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.351 9.564 2.632 1.00 0.67 H new ATOM 395 N VAL A 28 0.397 8.551 -0.811 1.00 0.45 N ATOM 396 CA VAL A 28 -0.251 8.545 -2.112 1.00 0.54 C ATOM 397 C VAL A 28 -1.480 9.440 -2.097 1.00 0.57 C ATOM 398 O VAL A 28 -2.253 9.419 -1.139 1.00 0.58 O ATOM 399 CB VAL A 28 -0.665 7.110 -2.522 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.264 7.094 -3.921 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.523 6.162 -2.440 1.00 1.07 C ATOM 0 H VAL A 28 0.086 7.807 -0.186 1.00 0.45 H new ATOM 0 HA VAL A 28 0.466 8.925 -2.840 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.427 6.768 -1.822 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.546 6.075 -4.184 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.147 7.733 -3.946 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.529 7.463 -4.636 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.210 5.160 -2.732 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.310 6.506 -3.111 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.901 6.140 -1.418 1.00 1.07 H new ATOM 411 N THR A 29 -1.642 10.242 -3.144 1.00 0.61 N ATOM 412 CA THR A 29 -2.829 11.063 -3.299 1.00 0.67 C ATOM 413 C THR A 29 -4.017 10.197 -3.701 1.00 0.65 C ATOM 414 O THR A 29 -4.143 9.767 -4.847 1.00 0.75 O ATOM 415 CB THR A 29 -2.599 12.186 -4.326 1.00 0.79 C ATOM 416 OG1 THR A 29 -1.606 11.779 -5.279 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.152 13.467 -3.638 1.00 1.37 C ATOM 0 H THR A 29 -0.962 10.338 -3.898 1.00 0.61 H new ATOM 0 HA THR A 29 -3.047 11.533 -2.340 1.00 0.67 H new ATOM 0 HB THR A 29 -3.541 12.379 -4.839 1.00 0.79 H new ATOM 0 HG1 THR A 29 -1.465 12.497 -5.931 1.00 1.64 H new ATOM 0 HG21 THR A 29 -1.996 14.246 -4.385 1.00 1.37 H new ATOM 0 HG22 THR A 29 -2.919 13.788 -2.933 1.00 1.37 H new ATOM 0 HG23 THR A 29 -1.220 13.286 -3.102 1.00 1.37 H new ATOM 425 N VAL A 30 -4.858 9.923 -2.725 1.00 0.62 N ATOM 426 CA VAL A 30 -5.948 8.983 -2.885 1.00 0.61 C ATOM 427 C VAL A 30 -7.239 9.676 -3.281 1.00 0.62 C ATOM 428 O VAL A 30 -7.548 10.779 -2.828 1.00 0.87 O ATOM 429 CB VAL A 30 -6.199 8.194 -1.591 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.101 6.995 -1.852 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.889 7.751 -0.971 1.00 1.01 C ATOM 0 H VAL A 30 -4.805 10.346 -1.798 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.647 8.302 -3.681 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.706 8.853 -0.887 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.264 6.453 -0.921 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.058 7.338 -2.244 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.627 6.335 -2.578 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -5.090 7.194 -0.056 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.351 7.114 -1.673 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.283 8.626 -0.738 1.00 1.01 H new ATOM 441 N GLN A 31 -7.971 9.016 -4.146 1.00 0.49 N ATOM 442 CA GLN A 31 -9.287 9.464 -4.564 1.00 0.52 C ATOM 443 C GLN A 31 -10.160 8.251 -4.841 1.00 0.49 C ATOM 444 O GLN A 31 -9.851 7.443 -5.720 1.00 0.54 O ATOM 445 CB GLN A 31 -9.203 10.334 -5.819 1.00 0.62 C ATOM 446 CG GLN A 31 -10.558 10.833 -6.300 1.00 1.15 C ATOM 447 CD GLN A 31 -10.505 11.399 -7.704 1.00 1.59 C ATOM 448 OE1 GLN A 31 -10.688 10.675 -8.683 1.00 2.48 O ATOM 449 NE2 GLN A 31 -10.252 12.692 -7.816 1.00 1.86 N ATOM 0 H GLN A 31 -7.672 8.146 -4.586 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.720 10.065 -3.765 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.560 11.190 -5.616 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -8.730 9.762 -6.618 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.275 10.013 -6.270 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -10.922 11.600 -5.616 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -10.106 13.257 -6.980 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -10.203 13.124 -8.739 1.00 1.86 H new ATOM 458 N ALA A 32 -11.228 8.113 -4.078 1.00 0.53 N ATOM 459 CA ALA A 32 -12.147 7.003 -4.251 1.00 0.54 C ATOM 460 C ALA A 32 -13.470 7.501 -4.805 1.00 0.56 C ATOM 461 O ALA A 32 -14.250 8.140 -4.099 1.00 0.70 O ATOM 462 CB ALA A 32 -12.356 6.269 -2.932 1.00 0.61 C ATOM 0 H ALA A 32 -11.481 8.758 -3.330 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.715 6.300 -4.964 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.048 5.440 -3.082 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.401 5.884 -2.575 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.769 6.957 -2.194 1.00 0.61 H new ATOM 468 N LEU A 33 -13.704 7.237 -6.076 1.00 0.54 N ATOM 469 CA LEU A 33 -14.934 7.652 -6.720 1.00 0.64 C ATOM 470 C LEU A 33 -16.059 6.711 -6.320 1.00 0.75 C ATOM 471 O LEU A 33 -16.044 5.533 -6.674 1.00 0.84 O ATOM 472 CB LEU A 33 -14.767 7.660 -8.240 1.00 0.74 C ATOM 473 CG LEU A 33 -15.987 8.148 -9.024 1.00 1.28 C ATOM 474 CD1 LEU A 33 -16.278 9.610 -8.713 1.00 1.90 C ATOM 475 CD2 LEU A 33 -15.772 7.946 -10.514 1.00 1.94 C ATOM 0 H LEU A 33 -13.056 6.736 -6.684 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.179 8.664 -6.398 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.915 8.291 -8.493 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -14.524 6.650 -8.569 1.00 0.74 H new ATOM 0 HG LEU A 33 -16.852 7.560 -8.718 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -17.149 9.936 -9.281 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -16.477 9.723 -7.647 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -15.417 10.219 -8.988 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -16.648 8.298 -11.059 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.895 8.509 -10.835 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -15.618 6.887 -10.719 1.00 1.94 H new ATOM 487 N GLY A 34 -17.015 7.235 -5.569 1.00 0.85 N ATOM 488 CA GLY A 34 -18.109 6.421 -5.094 1.00 1.06 C ATOM 489 C GLY A 34 -17.786 5.764 -3.770 1.00 0.98 C ATOM 490 O GLY A 34 -17.486 6.450 -2.787 1.00 1.81 O ATOM 0 H GLY A 34 -17.051 8.213 -5.280 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.001 7.038 -4.986 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.340 5.654 -5.834 1.00 1.06 H new ATOM 494 N CYS A 35 -17.850 4.434 -3.750 1.00 0.96 N ATOM 495 CA CYS A 35 -17.533 3.647 -2.557 1.00 0.86 C ATOM 496 C CYS A 35 -18.524 3.910 -1.428 1.00 0.96 C ATOM 497 O CYS A 35 -18.315 3.467 -0.299 1.00 1.88 O ATOM 498 CB CYS A 35 -16.112 3.956 -2.073 1.00 0.84 C ATOM 499 SG CYS A 35 -14.816 3.649 -3.314 1.00 1.18 S ATOM 0 H CYS A 35 -18.122 3.872 -4.557 1.00 0.96 H new ATOM 0 HA CYS A 35 -17.603 2.595 -2.835 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.064 5.001 -1.766 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -15.903 3.354 -1.189 1.00 0.84 H new ATOM 504 N ASN A 36 -19.623 4.591 -1.752 1.00 0.79 N ATOM 505 CA ASN A 36 -20.585 5.053 -0.748 1.00 0.72 C ATOM 506 C ASN A 36 -21.252 3.904 -0.003 1.00 0.69 C ATOM 507 O ASN A 36 -21.930 4.122 0.997 1.00 0.80 O ATOM 508 CB ASN A 36 -21.646 5.943 -1.390 1.00 0.76 C ATOM 509 CG ASN A 36 -21.079 7.270 -1.843 1.00 1.29 C ATOM 510 OD1 ASN A 36 -20.650 7.420 -2.986 1.00 1.75 O ATOM 511 ND2 ASN A 36 -21.071 8.245 -0.950 1.00 2.14 N ATOM 0 H ASN A 36 -19.872 4.837 -2.710 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.020 5.630 -0.016 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.084 5.426 -2.244 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -22.451 6.118 -0.677 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -20.700 9.162 -1.199 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -21.436 8.080 -0.012 1.00 2.14 H new ATOM 518 N ALA A 37 -21.068 2.695 -0.499 1.00 0.65 N ATOM 519 CA ALA A 37 -21.528 1.499 0.187 1.00 0.74 C ATOM 520 C ALA A 37 -20.538 0.371 -0.042 1.00 0.70 C ATOM 521 O ALA A 37 -20.867 -0.655 -0.638 1.00 0.94 O ATOM 522 CB ALA A 37 -22.919 1.105 -0.285 1.00 0.93 C ATOM 0 H ALA A 37 -20.597 2.513 -1.385 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.590 1.704 1.256 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -23.242 0.207 0.243 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.617 1.917 -0.080 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.897 0.908 -1.357 1.00 0.93 H new ATOM 528 N ARG A 38 -19.309 0.593 0.408 1.00 0.59 N ATOM 529 CA ARG A 38 -18.244 -0.381 0.265 1.00 0.61 C ATOM 530 C ARG A 38 -17.037 0.054 1.087 1.00 0.50 C ATOM 531 O ARG A 38 -16.912 1.229 1.449 1.00 0.50 O ATOM 532 CB ARG A 38 -17.833 -0.501 -1.202 1.00 0.71 C ATOM 533 CG ARG A 38 -17.275 -1.863 -1.578 1.00 0.98 C ATOM 534 CD ARG A 38 -18.353 -2.935 -1.556 1.00 2.02 C ATOM 535 NE ARG A 38 -19.465 -2.595 -2.442 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.921 -3.385 -3.414 1.00 3.70 C ATOM 537 NH1 ARG A 38 -19.393 -4.586 -3.608 1.00 4.05 N ATOM 538 NH2 ARG A 38 -20.920 -2.973 -4.181 1.00 4.64 N ATOM 0 H ARG A 38 -19.027 1.452 0.880 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.603 -1.347 0.619 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.698 -0.288 -1.830 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.085 0.260 -1.422 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.831 -1.813 -2.572 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.478 -2.134 -0.886 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -17.924 -3.890 -1.859 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -18.723 -3.060 -0.538 1.00 2.02 H new ATOM 0 HE ARG A 38 -19.922 -1.693 -2.307 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -18.632 -4.911 -3.011 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -19.748 -5.185 -4.354 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -21.337 -2.055 -4.026 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -21.272 -3.574 -4.926 1.00 4.64 H new ATOM 552 N GLN A 39 -16.162 -0.886 1.394 1.00 0.48 N ATOM 553 CA GLN A 39 -14.907 -0.567 2.047 1.00 0.42 C ATOM 554 C GLN A 39 -13.821 -0.396 0.987 1.00 0.42 C ATOM 555 O GLN A 39 -13.820 -1.099 -0.022 1.00 0.62 O ATOM 556 CB GLN A 39 -14.489 -1.665 3.038 1.00 0.47 C ATOM 557 CG GLN A 39 -15.450 -1.892 4.199 1.00 0.64 C ATOM 558 CD GLN A 39 -16.738 -2.590 3.799 1.00 0.87 C ATOM 559 OE1 GLN A 39 -17.782 -2.372 4.408 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.676 -3.442 2.787 1.00 1.40 N ATOM 0 H GLN A 39 -16.298 -1.878 1.201 1.00 0.48 H new ATOM 0 HA GLN A 39 -15.039 0.358 2.609 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.377 -2.602 2.492 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.509 -1.413 3.443 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -14.948 -2.485 4.964 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -15.694 -0.930 4.651 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -15.791 -3.597 2.305 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -17.513 -3.943 2.490 1.00 1.40 H new ATOM 569 N VAL A 40 -12.915 0.542 1.211 1.00 0.36 N ATOM 570 CA VAL A 40 -11.811 0.781 0.291 1.00 0.38 C ATOM 571 C VAL A 40 -10.569 0.074 0.799 1.00 0.35 C ATOM 572 O VAL A 40 -10.133 0.330 1.916 1.00 0.41 O ATOM 573 CB VAL A 40 -11.516 2.289 0.137 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.261 2.516 -0.692 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.701 3.006 -0.488 1.00 0.54 C ATOM 0 H VAL A 40 -12.922 1.154 2.027 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.095 0.391 -0.686 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.347 2.702 1.132 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.075 3.586 -0.786 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.411 2.042 -0.202 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.396 2.083 -1.683 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.473 4.067 -0.588 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -12.904 2.584 -1.472 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.578 2.882 0.147 1.00 0.54 H new ATOM 585 N ALA A 41 -10.013 -0.811 -0.015 1.00 0.29 N ATOM 586 CA ALA A 41 -8.884 -1.618 0.397 1.00 0.28 C ATOM 587 C ALA A 41 -7.702 -1.418 -0.532 1.00 0.26 C ATOM 588 O ALA A 41 -7.867 -1.319 -1.750 1.00 0.35 O ATOM 589 CB ALA A 41 -9.267 -3.087 0.429 1.00 0.36 C ATOM 0 H ALA A 41 -10.330 -0.986 -0.968 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.595 -1.300 1.399 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.407 -3.680 0.741 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.085 -3.235 1.134 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.584 -3.402 -0.565 1.00 0.36 H new ATOM 595 N LEU A 42 -6.518 -1.387 0.043 1.00 0.27 N ATOM 596 CA LEU A 42 -5.298 -1.278 -0.731 1.00 0.31 C ATOM 597 C LEU A 42 -4.634 -2.640 -0.810 1.00 0.31 C ATOM 598 O LEU A 42 -4.418 -3.290 0.212 1.00 0.48 O ATOM 599 CB LEU A 42 -4.348 -0.281 -0.072 1.00 0.39 C ATOM 600 CG LEU A 42 -4.978 1.053 0.316 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.972 1.908 1.058 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.500 1.786 -0.912 1.00 0.84 C ATOM 0 H LEU A 42 -6.374 -1.436 1.052 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.537 -0.927 -1.735 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.927 -0.740 0.822 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.518 -0.089 -0.752 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.824 0.855 0.974 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.432 2.858 1.330 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.649 1.389 1.961 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.109 2.093 0.418 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.944 2.734 -0.608 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.676 1.975 -1.600 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.254 1.174 -1.408 1.00 0.84 H new ATOM 614 N LYS A 43 -4.349 -3.085 -2.020 1.00 0.34 N ATOM 615 CA LYS A 43 -3.709 -4.373 -2.214 1.00 0.37 C ATOM 616 C LYS A 43 -2.382 -4.179 -2.906 1.00 0.38 C ATOM 617 O LYS A 43 -2.192 -3.210 -3.640 1.00 0.53 O ATOM 618 CB LYS A 43 -4.568 -5.319 -3.061 1.00 0.42 C ATOM 619 CG LYS A 43 -6.006 -5.449 -2.598 1.00 0.49 C ATOM 620 CD LYS A 43 -6.872 -4.342 -3.171 1.00 1.00 C ATOM 621 CE LYS A 43 -8.286 -4.404 -2.638 1.00 1.29 C ATOM 622 NZ LYS A 43 -9.139 -3.351 -3.237 1.00 1.93 N ATOM 0 H LYS A 43 -4.550 -2.576 -2.881 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.572 -4.821 -1.230 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.562 -4.968 -4.093 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.108 -6.307 -3.058 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.402 -6.418 -2.902 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -6.044 -5.417 -1.509 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.434 -3.374 -2.927 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.889 -4.420 -4.258 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.713 -5.384 -2.850 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.273 -4.290 -1.554 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -10.110 -3.443 -2.875 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -8.763 -2.415 -2.985 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -9.144 -3.455 -4.272 1.00 1.93 H new ATOM 636 N ALA A 44 -1.464 -5.080 -2.662 1.00 0.36 N ATOM 637 CA ALA A 44 -0.214 -5.075 -3.377 1.00 0.37 C ATOM 638 C ALA A 44 -0.286 -6.042 -4.546 1.00 0.34 C ATOM 639 O ALA A 44 -1.059 -6.999 -4.528 1.00 0.36 O ATOM 640 CB ALA A 44 0.926 -5.432 -2.446 1.00 0.41 C ATOM 0 H ALA A 44 -1.559 -5.826 -1.973 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.028 -4.074 -3.767 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.864 -5.424 -3.000 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.977 -4.704 -1.637 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.759 -6.425 -2.030 1.00 0.41 H new ATOM 646 N ASP A 45 0.503 -5.777 -5.563 1.00 0.36 N ATOM 647 CA ASP A 45 0.567 -6.643 -6.728 1.00 0.39 C ATOM 648 C ASP A 45 1.506 -7.800 -6.425 1.00 0.37 C ATOM 649 O ASP A 45 2.265 -7.721 -5.469 1.00 0.35 O ATOM 650 CB ASP A 45 1.058 -5.840 -7.939 1.00 0.45 C ATOM 651 CG ASP A 45 1.141 -6.667 -9.203 1.00 0.57 C ATOM 652 OD1 ASP A 45 0.085 -6.949 -9.798 1.00 0.71 O ATOM 653 OD2 ASP A 45 2.263 -7.048 -9.599 1.00 0.64 O ATOM 0 H ASP A 45 1.116 -4.963 -5.610 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.421 -7.040 -6.962 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.386 -4.998 -8.106 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.041 -5.425 -7.718 1.00 0.45 H new ATOM 658 N THR A 46 1.475 -8.866 -7.226 1.00 0.47 N ATOM 659 CA THR A 46 2.355 -10.016 -7.000 1.00 0.55 C ATOM 660 C THR A 46 3.824 -9.577 -6.975 1.00 0.47 C ATOM 661 O THR A 46 4.693 -10.279 -6.459 1.00 0.56 O ATOM 662 CB THR A 46 2.146 -11.113 -8.071 1.00 0.76 C ATOM 663 OG1 THR A 46 2.929 -12.271 -7.760 1.00 1.40 O ATOM 664 CG2 THR A 46 2.518 -10.610 -9.458 1.00 0.99 C ATOM 0 H THR A 46 0.856 -8.958 -8.031 1.00 0.47 H new ATOM 0 HA THR A 46 2.095 -10.439 -6.030 1.00 0.55 H new ATOM 0 HB THR A 46 1.088 -11.377 -8.068 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.785 -12.957 -8.445 1.00 1.40 H new ATOM 0 HG21 THR A 46 2.360 -11.404 -10.188 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.895 -9.753 -9.714 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.566 -10.312 -9.468 1.00 0.99 H new ATOM 672 N ASP A 47 4.071 -8.393 -7.522 1.00 0.42 N ATOM 673 CA ASP A 47 5.376 -7.749 -7.476 1.00 0.50 C ATOM 674 C ASP A 47 5.865 -7.572 -6.035 1.00 0.43 C ATOM 675 O ASP A 47 7.037 -7.797 -5.739 1.00 0.47 O ATOM 676 CB ASP A 47 5.257 -6.392 -8.178 1.00 0.66 C ATOM 677 CG ASP A 47 6.397 -5.437 -7.899 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.550 -5.793 -8.233 1.00 1.72 O ATOM 679 OD2 ASP A 47 6.152 -4.359 -7.319 1.00 2.22 O ATOM 0 H ASP A 47 3.363 -7.848 -8.015 1.00 0.42 H new ATOM 0 HA ASP A 47 6.110 -8.376 -7.982 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.194 -6.558 -9.253 1.00 0.66 H new ATOM 0 HB3 ASP A 47 4.323 -5.921 -7.873 1.00 0.66 H new ATOM 684 N ASN A 48 4.954 -7.235 -5.130 1.00 0.38 N ATOM 685 CA ASN A 48 5.323 -6.962 -3.744 1.00 0.39 C ATOM 686 C ASN A 48 4.304 -7.549 -2.759 1.00 0.37 C ATOM 687 O ASN A 48 4.219 -7.114 -1.610 1.00 0.42 O ATOM 688 CB ASN A 48 5.464 -5.448 -3.515 1.00 0.50 C ATOM 689 CG ASN A 48 4.170 -4.681 -3.735 1.00 0.65 C ATOM 690 OD1 ASN A 48 3.346 -5.037 -4.574 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.984 -3.618 -2.969 1.00 1.19 N ATOM 0 H ASN A 48 3.958 -7.144 -5.329 1.00 0.38 H new ATOM 0 HA ASN A 48 6.283 -7.445 -3.560 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.813 -5.273 -2.497 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.228 -5.056 -4.186 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.133 -3.063 -3.064 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.691 -3.354 -2.283 1.00 1.19 H new ATOM 698 N PHE A 49 3.555 -8.550 -3.208 1.00 0.35 N ATOM 699 CA PHE A 49 2.542 -9.206 -2.379 1.00 0.36 C ATOM 700 C PHE A 49 2.831 -10.700 -2.313 1.00 0.38 C ATOM 701 O PHE A 49 2.563 -11.435 -3.262 1.00 0.39 O ATOM 702 CB PHE A 49 1.150 -8.957 -2.978 1.00 0.38 C ATOM 703 CG PHE A 49 -0.033 -9.429 -2.168 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.601 -8.606 -1.204 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.544 -10.711 -2.327 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.648 -9.052 -0.418 1.00 0.42 C ATOM 707 CE2 PHE A 49 -1.594 -11.153 -1.550 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.282 -10.267 -0.756 1.00 0.46 C ATOM 0 H PHE A 49 3.630 -8.930 -4.151 1.00 0.35 H new ATOM 0 HA PHE A 49 2.569 -8.796 -1.369 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.040 -7.886 -3.148 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.108 -9.441 -3.954 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.220 -7.605 -1.066 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.114 -11.369 -3.068 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.974 -8.481 0.439 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -1.876 -12.195 -1.565 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.277 -10.493 -0.402 1.00 0.46 H new ATOM 718 N GLU A 50 3.397 -11.138 -1.200 1.00 0.44 N ATOM 719 CA GLU A 50 3.748 -12.541 -1.022 1.00 0.52 C ATOM 720 C GLU A 50 2.738 -13.229 -0.117 1.00 0.52 C ATOM 721 O GLU A 50 2.735 -13.004 1.097 1.00 0.54 O ATOM 722 CB GLU A 50 5.157 -12.671 -0.440 1.00 0.65 C ATOM 723 CG GLU A 50 6.257 -12.320 -1.428 1.00 1.22 C ATOM 724 CD GLU A 50 6.481 -13.400 -2.469 1.00 1.82 C ATOM 725 OE1 GLU A 50 5.618 -13.554 -3.358 1.00 2.41 O ATOM 726 OE2 GLU A 50 7.514 -14.094 -2.410 1.00 2.15 O ATOM 0 H GLU A 50 3.624 -10.542 -0.404 1.00 0.44 H new ATOM 0 HA GLU A 50 3.730 -13.027 -1.997 1.00 0.52 H new ATOM 0 HB2 GLU A 50 5.242 -12.022 0.432 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.305 -13.693 -0.092 1.00 0.65 H new ATOM 0 HG2 GLU A 50 6.004 -11.386 -1.929 1.00 1.22 H new ATOM 0 HG3 GLU A 50 7.186 -12.148 -0.884 1.00 1.22 H new ATOM 733 N GLN A 51 1.878 -14.051 -0.730 1.00 0.63 N ATOM 734 CA GLN A 51 0.805 -14.776 -0.031 1.00 0.76 C ATOM 735 C GLN A 51 -0.267 -13.831 0.511 1.00 0.72 C ATOM 736 O GLN A 51 -1.451 -13.968 0.195 1.00 1.07 O ATOM 737 CB GLN A 51 1.363 -15.643 1.101 1.00 0.87 C ATOM 738 CG GLN A 51 2.191 -16.819 0.616 1.00 1.71 C ATOM 739 CD GLN A 51 1.412 -17.720 -0.319 1.00 2.56 C ATOM 740 OE1 GLN A 51 1.433 -17.539 -1.536 1.00 2.92 O ATOM 741 NE2 GLN A 51 0.709 -18.692 0.242 1.00 3.43 N ATOM 0 H GLN A 51 1.906 -14.235 -1.733 1.00 0.63 H new ATOM 0 HA GLN A 51 0.337 -15.426 -0.770 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.977 -15.022 1.754 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.535 -16.017 1.703 1.00 0.87 H new ATOM 0 HG2 GLN A 51 3.080 -16.449 0.105 1.00 1.71 H new ATOM 0 HG3 GLN A 51 2.534 -17.398 1.474 1.00 1.71 H new ATOM 0 HE21 GLN A 51 0.718 -18.809 1.255 1.00 3.43 H new ATOM 0 HE22 GLN A 51 0.158 -19.324 -0.339 1.00 3.43 H new ATOM 750 N GLY A 52 0.154 -12.881 1.323 1.00 0.56 N ATOM 751 CA GLY A 52 -0.757 -11.939 1.927 1.00 0.52 C ATOM 752 C GLY A 52 -0.010 -10.898 2.721 1.00 0.48 C ATOM 753 O GLY A 52 -0.471 -10.451 3.769 1.00 0.52 O ATOM 0 H GLY A 52 1.132 -12.744 1.579 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.351 -11.454 1.152 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.453 -12.467 2.578 1.00 0.52 H new ATOM 757 N LYS A 53 1.162 -10.531 2.221 1.00 0.47 N ATOM 758 CA LYS A 53 1.993 -9.519 2.853 1.00 0.47 C ATOM 759 C LYS A 53 2.512 -8.570 1.788 1.00 0.42 C ATOM 760 O LYS A 53 2.952 -9.016 0.728 1.00 0.41 O ATOM 761 CB LYS A 53 3.198 -10.148 3.558 1.00 0.53 C ATOM 762 CG LYS A 53 2.865 -11.262 4.543 1.00 1.01 C ATOM 763 CD LYS A 53 2.050 -10.750 5.719 1.00 0.65 C ATOM 764 CE LYS A 53 1.862 -11.821 6.781 1.00 1.27 C ATOM 765 NZ LYS A 53 3.146 -12.170 7.449 1.00 2.12 N ATOM 0 H LYS A 53 1.561 -10.925 1.369 1.00 0.47 H new ATOM 0 HA LYS A 53 1.385 -8.994 3.590 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.875 -10.544 2.801 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.738 -9.364 4.090 1.00 0.53 H new ATOM 0 HG2 LYS A 53 2.309 -12.047 4.030 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.788 -11.712 4.909 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.548 -9.886 6.158 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.076 -10.412 5.367 1.00 0.65 H new ATOM 0 HE2 LYS A 53 1.148 -11.472 7.527 1.00 1.27 H new ATOM 0 HE3 LYS A 53 1.435 -12.714 6.325 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 2.950 -12.701 8.321 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 3.722 -12.754 6.810 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 3.664 -11.299 7.683 1.00 2.12 H new ATOM 779 N PHE A 54 2.466 -7.277 2.056 1.00 0.44 N ATOM 780 CA PHE A 54 3.021 -6.315 1.128 1.00 0.41 C ATOM 781 C PHE A 54 4.274 -5.650 1.679 1.00 0.39 C ATOM 782 O PHE A 54 4.387 -5.375 2.877 1.00 0.44 O ATOM 783 CB PHE A 54 1.980 -5.282 0.679 1.00 0.43 C ATOM 784 CG PHE A 54 1.068 -4.723 1.745 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.545 -4.339 2.987 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.286 -4.574 1.480 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.690 -3.821 3.944 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.144 -4.056 2.429 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.656 -3.679 3.664 1.00 0.51 C ATOM 0 H PHE A 54 2.055 -6.875 2.899 1.00 0.44 H new ATOM 0 HA PHE A 54 3.319 -6.872 0.240 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.507 -4.450 0.213 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.360 -5.739 -0.093 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.596 -4.445 3.211 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.674 -4.868 0.516 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.075 -3.528 4.910 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.195 -3.946 2.206 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.324 -3.274 4.410 1.00 0.51 H new ATOM 799 N PHE A 55 5.222 -5.420 0.787 1.00 0.37 N ATOM 800 CA PHE A 55 6.518 -4.870 1.149 1.00 0.36 C ATOM 801 C PHE A 55 7.095 -4.080 -0.021 1.00 0.42 C ATOM 802 O PHE A 55 6.441 -3.921 -1.052 1.00 0.55 O ATOM 803 CB PHE A 55 7.479 -6.006 1.542 1.00 0.36 C ATOM 804 CG PHE A 55 7.656 -7.047 0.476 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.776 -8.112 0.368 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.702 -6.956 -0.422 1.00 0.41 C ATOM 807 CE1 PHE A 55 6.939 -9.066 -0.615 1.00 0.59 C ATOM 808 CE2 PHE A 55 8.871 -7.906 -1.409 1.00 0.48 C ATOM 809 CZ PHE A 55 7.988 -8.962 -1.507 1.00 0.54 C ATOM 0 H PHE A 55 5.115 -5.609 -0.210 1.00 0.37 H new ATOM 0 HA PHE A 55 6.394 -4.200 2.000 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.452 -5.578 1.784 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.108 -6.486 2.447 1.00 0.36 H new ATOM 0 HD1 PHE A 55 5.953 -8.196 1.062 1.00 0.53 H new ATOM 0 HD2 PHE A 55 9.396 -6.131 -0.351 1.00 0.41 H new ATOM 0 HE1 PHE A 55 6.248 -9.893 -0.687 1.00 0.59 H new ATOM 0 HE2 PHE A 55 9.694 -7.823 -2.104 1.00 0.48 H new ATOM 0 HZ PHE A 55 8.117 -9.705 -2.280 1.00 0.54 H new ATOM 819 N LEU A 56 8.306 -3.572 0.149 1.00 0.37 N ATOM 820 CA LEU A 56 9.037 -2.946 -0.943 1.00 0.44 C ATOM 821 C LEU A 56 10.037 -3.950 -1.495 1.00 0.44 C ATOM 822 O LEU A 56 10.864 -4.469 -0.742 1.00 0.53 O ATOM 823 CB LEU A 56 9.789 -1.700 -0.463 1.00 0.53 C ATOM 824 CG LEU A 56 9.025 -0.790 0.495 1.00 0.81 C ATOM 825 CD1 LEU A 56 9.891 0.388 0.908 1.00 1.53 C ATOM 826 CD2 LEU A 56 7.737 -0.301 -0.137 1.00 1.27 C ATOM 0 H LEU A 56 8.806 -3.581 1.038 1.00 0.37 H new ATOM 0 HA LEU A 56 8.327 -2.642 -1.712 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.709 -2.020 0.026 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.079 -1.115 -1.336 1.00 0.53 H new ATOM 0 HG LEU A 56 8.771 -1.367 1.384 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.333 1.028 1.591 1.00 1.53 H new ATOM 0 HD12 LEU A 56 10.789 0.022 1.406 1.00 1.53 H new ATOM 0 HD13 LEU A 56 10.173 0.960 0.024 1.00 1.53 H new ATOM 0 HD21 LEU A 56 7.210 0.346 0.565 1.00 1.27 H new ATOM 0 HD22 LEU A 56 7.966 0.258 -1.044 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.107 -1.155 -0.387 1.00 1.27 H new ATOM 838 N ILE A 57 9.975 -4.236 -2.785 1.00 0.42 N ATOM 839 CA ILE A 57 10.878 -5.220 -3.362 1.00 0.45 C ATOM 840 C ILE A 57 11.951 -4.547 -4.210 1.00 0.46 C ATOM 841 O ILE A 57 11.659 -3.751 -5.104 1.00 0.52 O ATOM 842 CB ILE A 57 10.128 -6.291 -4.205 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.099 -7.372 -4.699 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.403 -5.662 -5.384 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.784 -8.139 -3.586 1.00 0.57 C ATOM 0 H ILE A 57 9.322 -3.810 -3.443 1.00 0.42 H new ATOM 0 HA ILE A 57 11.354 -5.732 -2.525 1.00 0.45 H new ATOM 0 HB ILE A 57 9.384 -6.755 -3.557 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.554 -8.075 -5.329 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.859 -6.905 -5.326 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.890 -6.438 -5.952 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.675 -4.938 -5.019 1.00 0.62 H new ATOM 0 HG23 ILE A 57 10.124 -5.158 -6.028 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.453 -8.884 -4.016 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.358 -7.449 -2.968 1.00 0.57 H new ATOM 0 HD13 ILE A 57 11.034 -8.637 -2.972 1.00 0.57 H new ATOM 857 N SER A 58 13.202 -4.829 -3.884 1.00 0.52 N ATOM 858 CA SER A 58 14.310 -4.408 -4.714 1.00 0.62 C ATOM 859 C SER A 58 14.262 -5.202 -6.014 1.00 0.72 C ATOM 860 O SER A 58 14.236 -6.431 -5.988 1.00 0.77 O ATOM 861 CB SER A 58 15.637 -4.644 -3.982 1.00 0.78 C ATOM 862 OG SER A 58 16.742 -4.170 -4.732 1.00 1.44 O ATOM 0 H SER A 58 13.472 -5.348 -3.049 1.00 0.52 H new ATOM 0 HA SER A 58 14.235 -3.343 -4.932 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.613 -4.143 -3.014 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.760 -5.709 -3.787 1.00 0.78 H new ATOM 0 HG SER A 58 17.570 -4.335 -4.235 1.00 1.44 H new ATOM 868 N ASP A 59 14.241 -4.497 -7.138 1.00 0.97 N ATOM 869 CA ASP A 59 14.059 -5.125 -8.449 1.00 1.18 C ATOM 870 C ASP A 59 15.131 -6.179 -8.737 1.00 1.20 C ATOM 871 O ASP A 59 14.901 -7.127 -9.487 1.00 1.34 O ATOM 872 CB ASP A 59 14.058 -4.053 -9.539 1.00 1.57 C ATOM 873 CG ASP A 59 13.842 -4.619 -10.926 1.00 1.80 C ATOM 874 OD1 ASP A 59 12.778 -5.226 -11.173 1.00 2.17 O ATOM 875 OD2 ASP A 59 14.728 -4.449 -11.785 1.00 2.31 O ATOM 0 H ASP A 59 14.348 -3.483 -7.172 1.00 0.97 H new ATOM 0 HA ASP A 59 13.098 -5.640 -8.442 1.00 1.18 H new ATOM 0 HB2 ASP A 59 13.276 -3.325 -9.324 1.00 1.57 H new ATOM 0 HB3 ASP A 59 15.007 -3.518 -9.515 1.00 1.57 H new ATOM 880 N ASN A 60 16.296 -6.026 -8.120 1.00 1.26 N ATOM 881 CA ASN A 60 17.398 -6.968 -8.322 1.00 1.52 C ATOM 882 C ASN A 60 17.266 -8.183 -7.407 1.00 1.40 C ATOM 883 O ASN A 60 18.084 -9.096 -7.467 1.00 1.74 O ATOM 884 CB ASN A 60 18.746 -6.284 -8.079 1.00 1.82 C ATOM 885 CG ASN A 60 19.035 -5.176 -9.075 1.00 2.52 C ATOM 886 OD1 ASN A 60 19.704 -4.198 -8.749 1.00 3.09 O ATOM 887 ND2 ASN A 60 18.544 -5.323 -10.299 1.00 3.05 N ATOM 0 H ASN A 60 16.505 -5.262 -7.477 1.00 1.26 H new ATOM 0 HA ASN A 60 17.350 -7.308 -9.357 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.762 -5.872 -7.070 1.00 1.82 H new ATOM 0 HB3 ASN A 60 19.540 -7.029 -8.131 1.00 1.82 H new ATOM 0 HD21 ASN A 60 18.718 -4.610 -11.007 1.00 3.05 H new ATOM 0 HD22 ASN A 60 17.993 -6.149 -10.532 1.00 3.05 H new ATOM 894 N ASN A 61 16.224 -8.178 -6.573 1.00 1.11 N ATOM 895 CA ASN A 61 15.951 -9.263 -5.622 1.00 1.06 C ATOM 896 C ASN A 61 17.129 -9.478 -4.675 1.00 1.11 C ATOM 897 O ASN A 61 18.037 -10.258 -4.957 1.00 1.55 O ATOM 898 CB ASN A 61 15.609 -10.573 -6.352 1.00 1.29 C ATOM 899 CG ASN A 61 15.188 -11.683 -5.401 1.00 1.85 C ATOM 900 OD1 ASN A 61 16.021 -12.444 -4.905 1.00 2.62 O ATOM 901 ND2 ASN A 61 13.891 -11.796 -5.156 1.00 2.37 N ATOM 0 H ASN A 61 15.542 -7.420 -6.536 1.00 1.11 H new ATOM 0 HA ASN A 61 15.085 -8.964 -5.031 1.00 1.06 H new ATOM 0 HB2 ASN A 61 14.806 -10.388 -7.065 1.00 1.29 H new ATOM 0 HB3 ASN A 61 16.476 -10.901 -6.926 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.551 -12.533 -4.538 1.00 2.37 H new ATOM 0 HD22 ASN A 61 13.232 -11.146 -5.586 1.00 2.37 H new ATOM 908 N ARG A 62 17.120 -8.763 -3.558 1.00 0.98 N ATOM 909 CA ARG A 62 18.176 -8.903 -2.562 1.00 1.06 C ATOM 910 C ARG A 62 17.686 -8.481 -1.181 1.00 0.90 C ATOM 911 O ARG A 62 18.034 -9.101 -0.177 1.00 1.01 O ATOM 912 CB ARG A 62 19.421 -8.094 -2.956 1.00 1.27 C ATOM 913 CG ARG A 62 19.194 -6.593 -3.062 1.00 1.79 C ATOM 914 CD ARG A 62 20.505 -5.857 -3.290 1.00 2.44 C ATOM 915 NE ARG A 62 21.481 -6.172 -2.249 1.00 3.13 N ATOM 916 CZ ARG A 62 22.785 -6.314 -2.462 1.00 3.67 C ATOM 917 NH1 ARG A 62 23.297 -6.074 -3.661 1.00 3.55 N ATOM 918 NH2 ARG A 62 23.575 -6.673 -1.462 1.00 4.66 N ATOM 0 H ARG A 62 16.398 -8.084 -3.319 1.00 0.98 H new ATOM 0 HA ARG A 62 18.451 -9.957 -2.522 1.00 1.06 H new ATOM 0 HB2 ARG A 62 20.205 -8.279 -2.222 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.788 -8.461 -3.914 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.508 -6.383 -3.882 1.00 1.79 H new ATOM 0 HG3 ARG A 62 18.722 -6.228 -2.150 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.911 -6.127 -4.265 1.00 2.44 H new ATOM 0 HD3 ARG A 62 20.323 -4.782 -3.307 1.00 2.44 H new ATOM 0 HE ARG A 62 21.139 -6.291 -1.296 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.689 -5.779 -4.425 1.00 3.55 H new ATOM 0 HH12 ARG A 62 24.299 -6.184 -3.819 1.00 3.55 H new ATOM 0 HH21 ARG A 62 23.182 -6.839 -0.536 1.00 4.66 H new ATOM 0 HH22 ARG A 62 24.577 -6.784 -1.618 1.00 4.66 H new ATOM 932 N ASP A 63 16.871 -7.434 -1.138 1.00 0.81 N ATOM 933 CA ASP A 63 16.340 -6.930 0.122 1.00 0.75 C ATOM 934 C ASP A 63 14.882 -6.533 -0.040 1.00 0.61 C ATOM 935 O ASP A 63 14.472 -6.054 -1.104 1.00 0.69 O ATOM 936 CB ASP A 63 17.155 -5.727 0.611 1.00 0.92 C ATOM 937 CG ASP A 63 16.661 -5.195 1.946 1.00 1.70 C ATOM 938 OD1 ASP A 63 17.066 -5.749 2.991 1.00 2.02 O ATOM 939 OD2 ASP A 63 15.862 -4.234 1.955 1.00 2.51 O ATOM 0 H ASP A 63 16.563 -6.917 -1.962 1.00 0.81 H new ATOM 0 HA ASP A 63 16.412 -7.726 0.863 1.00 0.75 H new ATOM 0 HB2 ASP A 63 18.202 -6.015 0.703 1.00 0.92 H new ATOM 0 HB3 ASP A 63 17.107 -4.932 -0.134 1.00 0.92 H new ATOM 944 N LYS A 64 14.102 -6.754 1.005 1.00 0.51 N ATOM 945 CA LYS A 64 12.707 -6.363 1.011 1.00 0.48 C ATOM 946 C LYS A 64 12.283 -5.956 2.415 1.00 0.52 C ATOM 947 O LYS A 64 12.766 -6.507 3.404 1.00 0.86 O ATOM 948 CB LYS A 64 11.815 -7.490 0.457 1.00 0.57 C ATOM 949 CG LYS A 64 11.921 -8.829 1.180 1.00 0.65 C ATOM 950 CD LYS A 64 11.065 -8.882 2.439 1.00 0.84 C ATOM 951 CE LYS A 64 11.138 -10.248 3.102 1.00 1.52 C ATOM 952 NZ LYS A 64 12.536 -10.636 3.433 1.00 2.07 N ATOM 0 H LYS A 64 14.416 -7.205 1.864 1.00 0.51 H new ATOM 0 HA LYS A 64 12.583 -5.501 0.355 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.777 -7.159 0.493 1.00 0.57 H new ATOM 0 HB3 LYS A 64 12.064 -7.643 -0.593 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.617 -9.628 0.504 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.962 -9.014 1.444 1.00 0.65 H new ATOM 0 HD2 LYS A 64 11.399 -8.117 3.140 1.00 0.84 H new ATOM 0 HD3 LYS A 64 10.030 -8.653 2.187 1.00 0.84 H new ATOM 0 HE2 LYS A 64 10.539 -10.241 4.013 1.00 1.52 H new ATOM 0 HE3 LYS A 64 10.702 -10.996 2.440 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 12.527 -11.467 4.058 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 13.049 -10.866 2.558 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 13.011 -9.846 3.915 1.00 2.07 H new ATOM 966 N LEU A 65 11.392 -4.985 2.495 1.00 0.34 N ATOM 967 CA LEU A 65 10.916 -4.501 3.781 1.00 0.34 C ATOM 968 C LEU A 65 9.418 -4.271 3.738 1.00 0.38 C ATOM 969 O LEU A 65 8.905 -3.643 2.810 1.00 0.72 O ATOM 970 CB LEU A 65 11.629 -3.209 4.183 1.00 0.52 C ATOM 971 CG LEU A 65 11.439 -2.022 3.236 1.00 1.18 C ATOM 972 CD1 LEU A 65 11.582 -0.714 3.992 1.00 1.98 C ATOM 973 CD2 LEU A 65 12.450 -2.080 2.104 1.00 1.96 C ATOM 0 H LEU A 65 10.983 -4.516 1.687 1.00 0.34 H new ATOM 0 HA LEU A 65 11.139 -5.263 4.527 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.282 -2.918 5.174 1.00 0.52 H new ATOM 0 HB3 LEU A 65 12.696 -3.416 4.267 1.00 0.52 H new ATOM 0 HG LEU A 65 10.435 -2.077 2.814 1.00 1.18 H new ATOM 0 HD11 LEU A 65 11.444 0.121 3.305 1.00 1.98 H new ATOM 0 HD12 LEU A 65 10.829 -0.664 4.779 1.00 1.98 H new ATOM 0 HD13 LEU A 65 12.576 -0.657 4.437 1.00 1.98 H new ATOM 0 HD21 LEU A 65 12.301 -1.229 1.439 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.459 -2.047 2.515 1.00 1.96 H new ATOM 0 HD23 LEU A 65 12.316 -3.005 1.544 1.00 1.96 H new ATOM 985 N TYR A 66 8.722 -4.774 4.743 1.00 0.32 N ATOM 986 CA TYR A 66 7.275 -4.677 4.787 1.00 0.34 C ATOM 987 C TYR A 66 6.857 -3.267 5.166 1.00 0.36 C ATOM 988 O TYR A 66 7.344 -2.701 6.143 1.00 0.44 O ATOM 989 CB TYR A 66 6.693 -5.704 5.765 1.00 0.39 C ATOM 990 CG TYR A 66 7.033 -7.131 5.398 1.00 0.41 C ATOM 991 CD1 TYR A 66 8.227 -7.705 5.813 1.00 0.55 C ATOM 992 CD2 TYR A 66 6.170 -7.896 4.629 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.550 -9.002 5.470 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.485 -9.197 4.284 1.00 0.59 C ATOM 995 CZ TYR A 66 7.677 -9.744 4.704 1.00 0.62 C ATOM 996 OH TYR A 66 7.998 -11.037 4.356 1.00 0.75 O ATOM 0 H TYR A 66 9.138 -5.255 5.541 1.00 0.32 H new ATOM 0 HA TYR A 66 6.879 -4.899 3.796 1.00 0.34 H new ATOM 0 HB2 TYR A 66 7.066 -5.494 6.768 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.609 -5.592 5.798 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.914 -7.127 6.414 1.00 0.55 H new ATOM 0 HD2 TYR A 66 5.236 -7.469 4.294 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.483 -9.434 5.800 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.800 -9.782 3.688 1.00 0.59 H new ATOM 0 HH TYR A 66 7.275 -11.420 3.816 1.00 0.75 H new ATOM 1006 N VAL A 67 5.976 -2.695 4.370 1.00 0.35 N ATOM 1007 CA VAL A 67 5.504 -1.345 4.606 1.00 0.38 C ATOM 1008 C VAL A 67 4.017 -1.340 4.852 1.00 0.40 C ATOM 1009 O VAL A 67 3.259 -2.041 4.186 1.00 0.73 O ATOM 1010 CB VAL A 67 5.835 -0.404 3.437 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.332 -0.148 3.378 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.326 -0.977 2.121 1.00 0.60 C ATOM 0 H VAL A 67 5.571 -3.147 3.550 1.00 0.35 H new ATOM 0 HA VAL A 67 6.023 -0.977 5.491 1.00 0.38 H new ATOM 0 HB VAL A 67 5.330 0.548 3.602 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.554 0.520 2.546 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.659 0.312 4.310 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.857 -1.092 3.236 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.571 -0.294 1.308 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.797 -1.943 1.938 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.245 -1.105 2.174 1.00 0.60 H new ATOM 1022 N ASN A 68 3.606 -0.575 5.832 1.00 0.42 N ATOM 1023 CA ASN A 68 2.206 -0.450 6.150 1.00 0.49 C ATOM 1024 C ASN A 68 1.649 0.788 5.483 1.00 0.43 C ATOM 1025 O ASN A 68 2.010 1.910 5.837 1.00 0.50 O ATOM 1026 CB ASN A 68 1.993 -0.366 7.665 1.00 0.74 C ATOM 1027 CG ASN A 68 2.244 -1.677 8.394 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.650 -1.935 9.441 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.117 -2.514 7.858 1.00 1.60 N ATOM 0 H ASN A 68 4.226 -0.026 6.427 1.00 0.42 H new ATOM 0 HA ASN A 68 1.684 -1.334 5.782 1.00 0.49 H new ATOM 0 HB2 ASN A 68 2.654 0.398 8.074 1.00 0.74 H new ATOM 0 HB3 ASN A 68 0.971 -0.042 7.861 1.00 0.74 H new ATOM 0 HD21 ASN A 68 3.316 -3.405 8.314 1.00 1.60 H new ATOM 0 HD22 ASN A 68 3.592 -2.269 6.989 1.00 1.60 H new ATOM 1036 N ILE A 69 0.803 0.579 4.494 1.00 0.42 N ATOM 1037 CA ILE A 69 0.113 1.678 3.850 1.00 0.41 C ATOM 1038 C ILE A 69 -1.063 2.093 4.712 1.00 0.41 C ATOM 1039 O ILE A 69 -2.100 1.437 4.723 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.385 1.310 2.434 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.147 -0.174 2.147 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.308 2.177 1.395 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.741 -0.645 0.838 1.00 0.74 C ATOM 0 H ILE A 69 0.577 -0.342 4.119 1.00 0.42 H new ATOM 0 HA ILE A 69 0.820 2.500 3.740 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.458 1.496 2.382 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.926 -0.365 2.138 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -0.569 -0.764 2.960 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.050 1.910 0.401 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.087 3.226 1.590 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.385 2.018 1.448 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.531 -1.706 0.704 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.819 -0.487 0.850 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.301 -0.082 0.015 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.898 3.181 5.439 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.897 3.591 6.412 1.00 0.45 C ATOM 1057 C ARG A 70 -2.373 4.990 6.111 1.00 0.39 C ATOM 1058 O ARG A 70 -1.584 5.850 5.723 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.349 3.566 7.840 1.00 0.55 C ATOM 1060 CG ARG A 70 -0.744 2.243 8.271 1.00 1.33 C ATOM 1061 CD ARG A 70 -0.275 2.309 9.717 1.00 1.39 C ATOM 1062 NE ARG A 70 0.395 1.082 10.138 1.00 2.23 N ATOM 1063 CZ ARG A 70 0.601 0.741 11.411 1.00 2.69 C ATOM 1064 NH1 ARG A 70 0.159 1.514 12.396 1.00 2.42 N ATOM 1065 NH2 ARG A 70 1.241 -0.387 11.695 1.00 3.79 N ATOM 0 H ARG A 70 -0.086 3.796 5.377 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.721 2.881 6.339 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.591 4.343 7.936 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -2.156 3.821 8.527 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -1.481 1.447 8.159 1.00 1.33 H new ATOM 0 HG3 ARG A 70 0.096 1.994 7.623 1.00 1.33 H new ATOM 0 HD2 ARG A 70 0.405 3.152 9.838 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -1.131 2.494 10.366 1.00 1.39 H new ATOM 0 HE ARG A 70 0.726 0.446 9.413 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -0.342 2.376 12.182 1.00 2.42 H new ATOM 0 HH12 ARG A 70 0.321 1.246 13.367 1.00 2.42 H new ATOM 0 HH21 ARG A 70 1.573 -0.989 10.941 1.00 3.79 H new ATOM 0 HH22 ARG A 70 1.401 -0.652 12.667 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.673 5.229 6.270 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.259 6.551 6.114 1.00 0.44 C ATOM 1081 C PRO A 71 -3.479 7.613 6.879 1.00 0.47 C ATOM 1082 O PRO A 71 -3.128 7.416 8.045 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.669 6.405 6.691 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.760 5.027 7.256 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.682 4.221 6.603 1.00 0.50 C ATOM 0 HA PRO A 71 -4.252 6.875 5.073 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.851 7.153 7.463 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.422 6.557 5.917 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -5.629 5.043 8.338 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.740 4.593 7.060 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.285 3.459 7.274 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -5.046 3.705 5.714 1.00 0.50 H new ATOM 1093 N MET A 72 -3.197 8.729 6.218 1.00 0.52 N ATOM 1094 CA MET A 72 -2.407 9.790 6.822 1.00 0.65 C ATOM 1095 C MET A 72 -3.134 10.366 8.035 1.00 0.81 C ATOM 1096 O MET A 72 -2.551 10.485 9.114 1.00 1.66 O ATOM 1097 CB MET A 72 -2.102 10.885 5.795 1.00 0.75 C ATOM 1098 CG MET A 72 -1.208 11.993 6.326 1.00 0.89 C ATOM 1099 SD MET A 72 -0.774 13.197 5.056 1.00 1.54 S ATOM 1100 CE MET A 72 0.378 14.229 5.959 1.00 1.71 C ATOM 0 H MET A 72 -3.504 8.921 5.264 1.00 0.52 H new ATOM 0 HA MET A 72 -1.459 9.371 7.159 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.626 10.432 4.926 1.00 0.75 H new ATOM 0 HB3 MET A 72 -3.041 11.321 5.453 1.00 0.75 H new ATOM 0 HG2 MET A 72 -1.714 12.502 7.147 1.00 0.89 H new ATOM 0 HG3 MET A 72 -0.297 11.556 6.735 1.00 0.89 H new ATOM 0 HE1 MET A 72 0.740 15.026 5.309 1.00 1.71 H new ATOM 0 HE2 MET A 72 -0.124 14.665 6.823 1.00 1.71 H new ATOM 0 HE3 MET A 72 1.221 13.625 6.296 1.00 1.71 H new ATOM 1110 N ASP A 73 -4.406 10.710 7.847 1.00 0.85 N ATOM 1111 CA ASP A 73 -5.269 11.152 8.945 1.00 0.91 C ATOM 1112 C ASP A 73 -6.680 11.425 8.440 1.00 0.97 C ATOM 1113 O ASP A 73 -6.918 12.424 7.768 1.00 1.54 O ATOM 1114 CB ASP A 73 -4.709 12.412 9.612 1.00 1.06 C ATOM 1115 CG ASP A 73 -5.583 12.897 10.750 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -5.768 12.139 11.728 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -6.087 14.036 10.669 1.00 1.92 O ATOM 0 H ASP A 73 -4.867 10.691 6.937 1.00 0.85 H new ATOM 0 HA ASP A 73 -5.302 10.351 9.684 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -3.707 12.206 9.989 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -4.614 13.203 8.868 1.00 1.06 H new ATOM 1122 N ASN A 74 -7.610 10.529 8.757 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.993 10.651 8.292 1.00 0.90 C ATOM 1124 C ASN A 74 -9.935 9.787 9.128 1.00 1.03 C ATOM 1125 O ASN A 74 -10.830 10.296 9.804 1.00 1.89 O ATOM 1126 CB ASN A 74 -9.109 10.243 6.821 1.00 0.90 C ATOM 1127 CG ASN A 74 -9.355 11.413 5.887 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -10.495 11.821 5.677 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -8.294 11.940 5.293 1.00 1.21 N ATOM 0 H ASN A 74 -7.433 9.708 9.335 1.00 0.80 H new ATOM 0 HA ASN A 74 -9.281 11.697 8.402 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -8.193 9.734 6.520 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -9.923 9.525 6.714 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -8.408 12.712 4.636 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -7.363 11.574 5.493 1.00 1.21 H new ATOM 1136 N SER A 75 -9.726 8.477 9.085 1.00 0.90 N ATOM 1137 CA SER A 75 -10.606 7.541 9.770 1.00 0.90 C ATOM 1138 C SER A 75 -9.849 6.257 10.092 1.00 0.84 C ATOM 1139 O SER A 75 -8.783 6.004 9.527 1.00 0.93 O ATOM 1140 CB SER A 75 -11.836 7.230 8.902 1.00 0.93 C ATOM 1141 OG SER A 75 -12.850 6.576 9.649 1.00 1.70 O ATOM 0 H SER A 75 -8.954 8.039 8.582 1.00 0.90 H new ATOM 0 HA SER A 75 -10.946 7.995 10.701 1.00 0.90 H new ATOM 0 HB2 SER A 75 -12.231 8.156 8.484 1.00 0.93 H new ATOM 0 HB3 SER A 75 -11.540 6.602 8.062 1.00 0.93 H new ATOM 0 HG SER A 75 -13.171 5.795 9.151 1.00 1.70 H new ATOM 1147 N ALA A 76 -10.402 5.457 10.994 1.00 0.82 N ATOM 1148 CA ALA A 76 -9.767 4.216 11.412 1.00 0.78 C ATOM 1149 C ALA A 76 -9.943 3.124 10.362 1.00 0.63 C ATOM 1150 O ALA A 76 -11.061 2.842 9.916 1.00 0.77 O ATOM 1151 CB ALA A 76 -10.324 3.760 12.753 1.00 0.94 C ATOM 0 H ALA A 76 -11.293 5.647 11.452 1.00 0.82 H new ATOM 0 HA ALA A 76 -8.699 4.406 11.522 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -9.839 2.831 13.051 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -10.135 4.526 13.505 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -11.398 3.596 12.664 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.832 2.522 9.970 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.836 1.447 8.989 1.00 0.38 C ATOM 1159 C TRP A 77 -8.435 0.129 9.647 1.00 0.40 C ATOM 1160 O TRP A 77 -7.689 0.117 10.628 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.868 1.761 7.839 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.352 2.809 6.872 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.983 3.987 7.162 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.213 2.773 5.449 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.261 4.672 6.000 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.795 3.946 4.939 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.658 1.857 4.554 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.834 4.225 3.578 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.698 2.138 3.203 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.283 3.313 2.728 1.00 0.42 C ATOM 0 H TRP A 77 -7.905 2.763 10.321 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.845 1.357 8.588 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.918 2.088 8.262 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.671 0.842 7.288 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.228 4.330 8.156 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.736 5.573 5.941 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.205 0.944 4.912 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.285 5.133 3.207 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.270 1.437 2.502 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.299 3.503 1.665 1.00 0.42 H new ATOM 1181 N THR A 78 -8.941 -0.970 9.112 1.00 0.38 N ATOM 1182 CA THR A 78 -8.559 -2.293 9.570 1.00 0.40 C ATOM 1183 C THR A 78 -7.259 -2.703 8.886 1.00 0.36 C ATOM 1184 O THR A 78 -7.161 -2.687 7.656 1.00 0.37 O ATOM 1185 CB THR A 78 -9.662 -3.323 9.262 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.925 -2.840 9.745 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.347 -4.667 9.903 1.00 0.49 C ATOM 0 H THR A 78 -9.623 -0.970 8.354 1.00 0.38 H new ATOM 0 HA THR A 78 -8.417 -2.264 10.650 1.00 0.40 H new ATOM 0 HB THR A 78 -9.711 -3.461 8.182 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.624 -3.497 9.546 1.00 0.51 H new ATOM 0 HG21 THR A 78 -10.141 -5.376 9.670 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.400 -5.042 9.515 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.274 -4.546 10.984 1.00 0.49 H new ATOM 1195 N THR A 79 -6.262 -3.058 9.678 1.00 0.41 N ATOM 1196 CA THR A 79 -4.932 -3.287 9.149 1.00 0.40 C ATOM 1197 C THR A 79 -4.623 -4.770 8.965 1.00 0.38 C ATOM 1198 O THR A 79 -4.717 -5.574 9.896 1.00 0.50 O ATOM 1199 CB THR A 79 -3.847 -2.628 10.038 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.536 -2.903 9.522 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.939 -3.104 11.483 1.00 0.59 C ATOM 0 H THR A 79 -6.349 -3.193 10.685 1.00 0.41 H new ATOM 0 HA THR A 79 -4.914 -2.819 8.165 1.00 0.40 H new ATOM 0 HB THR A 79 -4.024 -1.553 10.021 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.373 -2.349 8.731 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.162 -2.620 12.076 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.918 -2.848 11.889 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.803 -4.185 11.519 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.295 -5.122 7.735 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.708 -6.414 7.430 1.00 0.32 C ATOM 1211 C ASP A 80 -2.551 -6.182 6.469 1.00 0.36 C ATOM 1212 O ASP A 80 -2.489 -5.133 5.833 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.743 -7.361 6.806 1.00 0.34 C ATOM 1214 CG ASP A 80 -4.274 -8.805 6.790 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -4.334 -9.467 7.854 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -3.850 -9.286 5.719 1.00 1.70 O ATOM 0 H ASP A 80 -4.428 -4.522 6.921 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.355 -6.886 8.347 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.677 -7.292 7.364 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.956 -7.040 5.786 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.627 -7.122 6.369 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.506 -6.957 5.449 1.00 0.57 C ATOM 1223 C ASN A 81 -0.899 -7.364 4.041 1.00 0.59 C ATOM 1224 O ASN A 81 -0.109 -7.238 3.113 1.00 0.72 O ATOM 1225 CB ASN A 81 0.715 -7.762 5.890 1.00 0.68 C ATOM 1226 CG ASN A 81 1.465 -7.121 7.046 1.00 0.81 C ATOM 1227 OD1 ASN A 81 1.143 -7.349 8.209 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.488 -6.326 6.732 1.00 0.80 N ATOM 0 H ASN A 81 -1.625 -7.993 6.900 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.241 -5.900 5.459 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.397 -8.763 6.181 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.392 -7.876 5.044 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.034 -5.882 7.470 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.724 -6.161 5.754 1.00 0.80 H new ATOM 1235 N GLY A 82 -2.110 -7.870 3.887 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.590 -8.214 2.573 1.00 0.65 C ATOM 1237 C GLY A 82 -3.511 -7.155 2.015 1.00 0.48 C ATOM 1238 O GLY A 82 -3.435 -6.808 0.837 1.00 0.57 O ATOM 0 H GLY A 82 -2.766 -8.048 4.648 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.743 -8.349 1.901 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -3.117 -9.167 2.617 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.378 -6.634 2.866 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.322 -5.608 2.463 1.00 0.44 C ATOM 1244 C VAL A 83 -5.410 -4.536 3.533 1.00 0.36 C ATOM 1245 O VAL A 83 -5.136 -4.795 4.704 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.737 -6.181 2.215 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.743 -7.127 1.023 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -7.264 -6.883 3.460 1.00 0.67 C ATOM 0 H VAL A 83 -4.447 -6.907 3.846 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.955 -5.186 1.527 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.400 -5.346 1.987 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.750 -7.515 0.872 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.423 -6.590 0.130 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -6.060 -7.955 1.212 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -8.260 -7.278 3.261 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.596 -7.702 3.726 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.313 -6.172 4.285 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.801 -3.340 3.138 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.931 -2.249 4.078 1.00 0.29 C ATOM 1260 C PHE A 84 -7.200 -1.493 3.755 1.00 0.29 C ATOM 1261 O PHE A 84 -7.286 -0.849 2.713 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.710 -1.327 3.998 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.218 -0.867 5.336 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.961 0.014 6.101 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -3.003 -1.313 5.822 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.501 0.439 7.332 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.537 -0.893 7.049 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.287 -0.015 7.806 1.00 0.36 C ATOM 0 H PHE A 84 -6.033 -3.101 2.174 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.984 -2.635 5.096 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.904 -1.850 3.484 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.962 -0.456 3.393 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.910 0.373 5.732 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.412 -1.999 5.233 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -5.090 1.125 7.922 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.587 -1.250 7.418 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.924 0.316 8.768 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.195 -1.605 4.621 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.514 -1.071 4.325 1.00 0.34 C ATOM 1280 C TYR A 85 -10.137 -0.426 5.543 1.00 0.34 C ATOM 1281 O TYR A 85 -9.949 -0.892 6.663 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.430 -2.181 3.794 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.682 -3.319 4.765 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.685 -4.242 5.071 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.927 -3.476 5.363 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.925 -5.286 5.944 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.174 -4.520 6.235 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.171 -5.422 6.522 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.413 -6.467 7.386 1.00 0.59 O ATOM 0 H TYR A 85 -8.115 -2.059 5.531 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.397 -0.304 3.560 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.388 -1.740 3.517 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.992 -2.590 2.884 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.709 -4.140 4.619 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.715 -2.771 5.143 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.141 -5.993 6.173 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.148 -4.629 6.689 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.239 -6.295 7.884 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.872 0.656 5.326 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.556 1.307 6.423 1.00 0.37 C ATOM 1301 C LYS A 86 -12.806 0.526 6.776 1.00 0.39 C ATOM 1302 O LYS A 86 -13.526 0.059 5.892 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.897 2.777 6.116 1.00 0.42 C ATOM 1304 CG LYS A 86 -13.083 3.026 5.189 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.749 2.787 3.727 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.744 3.493 2.809 1.00 0.61 C ATOM 1307 NZ LYS A 86 -15.142 3.027 3.003 1.00 1.39 N ATOM 0 H LYS A 86 -11.006 1.092 4.414 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.879 1.319 7.277 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.091 3.286 7.060 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -11.017 3.246 5.676 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -13.908 2.375 5.479 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.427 4.053 5.315 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -11.741 3.145 3.519 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.756 1.717 3.520 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.696 4.567 2.988 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -13.453 3.329 1.772 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.792 3.835 2.920 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -15.376 2.319 2.278 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -15.238 2.601 3.947 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.040 0.370 8.069 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.196 -0.364 8.563 1.00 0.51 C ATOM 1323 C ASN A 87 -15.485 0.343 8.151 1.00 0.55 C ATOM 1324 O ASN A 87 -16.545 -0.275 8.033 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.109 -0.494 10.090 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.245 -1.305 10.686 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.179 -2.533 10.759 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -16.280 -0.623 11.149 1.00 2.12 N ATOM 0 H ASN A 87 -12.439 0.746 8.802 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.203 -1.363 8.127 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.160 -0.960 10.355 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.110 0.502 10.534 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -17.060 -1.114 11.585 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -16.297 0.394 11.070 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.373 1.642 7.914 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.504 2.453 7.487 1.00 0.54 C ATOM 1337 C ASP A 88 -16.850 2.169 6.032 1.00 0.46 C ATOM 1338 O ASP A 88 -15.972 1.875 5.220 1.00 0.53 O ATOM 1339 CB ASP A 88 -16.182 3.947 7.617 1.00 0.62 C ATOM 1340 CG ASP A 88 -15.499 4.299 8.920 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -16.208 4.496 9.928 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -14.252 4.375 8.946 1.00 2.10 O ATOM 0 H ASP A 88 -14.501 2.161 8.012 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.347 2.197 8.128 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.543 4.248 6.787 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -17.106 4.520 7.532 1.00 0.62 H new ATOM 1347 N VAL A 89 -18.123 2.256 5.700 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.538 2.251 4.308 1.00 0.51 C ATOM 1349 C VAL A 89 -18.686 3.693 3.838 1.00 0.51 C ATOM 1350 O VAL A 89 -19.115 4.562 4.600 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.863 1.476 4.088 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -20.786 2.174 3.116 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -19.587 0.053 3.640 1.00 0.93 C ATOM 0 H VAL A 89 -18.887 2.331 6.372 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.775 1.735 3.726 1.00 0.51 H new ATOM 0 HB VAL A 89 -20.376 1.447 5.049 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -21.699 1.590 2.998 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -21.036 3.164 3.498 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -20.290 2.272 2.150 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -20.531 -0.471 3.492 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -19.029 0.068 2.703 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -19.002 -0.461 4.402 1.00 0.93 H new ATOM 1363 N GLY A 90 -18.316 3.947 2.600 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.372 5.294 2.082 1.00 0.46 C ATOM 1365 C GLY A 90 -17.091 5.676 1.389 1.00 0.39 C ATOM 1366 O GLY A 90 -16.187 4.847 1.250 1.00 0.43 O ATOM 0 H GLY A 90 -17.977 3.246 1.941 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.204 5.381 1.383 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.566 5.990 2.898 1.00 0.46 H new ATOM 1370 N SER A 91 -17.009 6.922 0.959 1.00 0.44 N ATOM 1371 CA SER A 91 -15.827 7.428 0.293 1.00 0.50 C ATOM 1372 C SER A 91 -14.693 7.605 1.304 1.00 0.48 C ATOM 1373 O SER A 91 -14.853 7.299 2.489 1.00 0.77 O ATOM 1374 CB SER A 91 -16.157 8.762 -0.380 1.00 0.69 C ATOM 1375 OG SER A 91 -17.329 8.658 -1.179 1.00 1.17 O ATOM 0 H SER A 91 -17.757 7.607 1.062 1.00 0.44 H new ATOM 0 HA SER A 91 -15.503 6.716 -0.467 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.299 9.531 0.380 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.318 9.077 -1.000 1.00 0.69 H new ATOM 0 HG SER A 91 -17.333 7.795 -1.643 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.552 8.088 0.840 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.429 8.346 1.724 1.00 0.45 C ATOM 1383 C TRP A 92 -11.485 9.374 1.106 1.00 0.44 C ATOM 1384 O TRP A 92 -11.045 10.301 1.786 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.673 7.056 2.066 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.785 7.253 3.251 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -11.160 7.287 4.563 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.384 7.494 3.227 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -10.068 7.540 5.354 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.964 7.677 4.550 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.445 7.570 2.211 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.639 7.940 4.872 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.139 7.836 2.523 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.742 8.022 3.846 1.00 0.51 C ATOM 0 H TRP A 92 -13.380 8.309 -0.141 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.827 8.752 2.654 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.385 6.256 2.270 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.077 6.742 1.209 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -12.167 7.137 4.925 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -10.075 7.614 6.371 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.741 7.421 1.183 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.329 8.075 5.898 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.406 7.903 1.733 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.706 8.235 4.064 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.228 9.231 -0.193 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.254 10.082 -0.872 1.00 0.49 C ATOM 1407 C GLY A 93 -8.940 10.112 -0.129 1.00 0.57 C ATOM 1408 O GLY A 93 -8.307 9.091 0.017 1.00 1.25 O ATOM 0 H GLY A 93 -11.677 8.539 -0.792 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -10.093 9.716 -1.886 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.649 11.094 -0.957 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.517 11.287 0.293 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.486 11.393 1.309 1.00 0.50 C ATOM 1414 C GLY A 94 -6.093 11.074 0.815 1.00 0.50 C ATOM 1415 O GLY A 94 -5.766 11.274 -0.358 1.00 0.72 O ATOM 0 H GLY A 94 -8.870 12.180 -0.050 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.493 12.405 1.713 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.731 10.720 2.131 1.00 0.50 H new ATOM 1419 N THR A 95 -5.268 10.593 1.733 1.00 0.46 N ATOM 1420 CA THR A 95 -3.894 10.235 1.442 1.00 0.45 C ATOM 1421 C THR A 95 -3.452 9.066 2.316 1.00 0.40 C ATOM 1422 O THR A 95 -3.710 9.051 3.521 1.00 0.45 O ATOM 1423 CB THR A 95 -2.947 11.430 1.675 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.447 12.250 2.744 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.786 12.261 0.412 1.00 0.60 C ATOM 0 H THR A 95 -5.537 10.440 2.705 1.00 0.46 H new ATOM 0 HA THR A 95 -3.844 9.945 0.392 1.00 0.45 H new ATOM 0 HB THR A 95 -1.967 11.038 1.947 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.708 12.499 3.338 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.113 13.095 0.609 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.371 11.640 -0.382 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.758 12.644 0.102 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.815 8.080 1.706 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.292 6.941 2.446 1.00 0.39 C ATOM 1435 C ILE A 96 -0.781 7.034 2.509 1.00 0.40 C ATOM 1436 O ILE A 96 -0.126 7.218 1.487 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.679 5.598 1.795 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -4.172 5.561 1.481 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -2.321 4.451 2.714 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -5.047 5.299 2.686 1.00 1.63 C ATOM 0 H ILE A 96 -2.647 8.044 0.701 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.727 6.971 3.445 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.124 5.498 0.862 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -4.462 6.512 1.034 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -4.357 4.788 0.735 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -2.599 3.508 2.244 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -1.248 4.459 2.905 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -2.858 4.559 3.656 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -6.093 5.288 2.380 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -4.786 4.335 3.122 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -4.893 6.085 3.425 1.00 1.63 H new ATOM 1452 N GLY A 97 -0.235 6.906 3.697 1.00 0.39 N ATOM 1453 CA GLY A 97 1.186 7.032 3.869 1.00 0.45 C ATOM 1454 C GLY A 97 1.855 5.687 3.981 1.00 0.39 C ATOM 1455 O GLY A 97 1.256 4.728 4.463 1.00 0.37 O ATOM 0 H GLY A 97 -0.755 6.715 4.553 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.608 7.579 3.026 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.394 7.617 4.765 1.00 0.45 H new ATOM 1459 N ILE A 98 3.087 5.611 3.525 1.00 0.38 N ATOM 1460 CA ILE A 98 3.850 4.386 3.611 1.00 0.36 C ATOM 1461 C ILE A 98 4.803 4.433 4.792 1.00 0.38 C ATOM 1462 O ILE A 98 5.721 5.254 4.832 1.00 0.42 O ATOM 1463 CB ILE A 98 4.621 4.127 2.306 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.625 3.819 1.196 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.622 2.989 2.472 1.00 0.45 C ATOM 1466 CD1 ILE A 98 4.254 3.608 -0.163 1.00 0.83 C ATOM 0 H ILE A 98 3.583 6.388 3.089 1.00 0.38 H new ATOM 0 HA ILE A 98 3.152 3.562 3.762 1.00 0.36 H new ATOM 0 HB ILE A 98 5.191 5.019 2.045 1.00 0.41 H new ATOM 0 HG12 ILE A 98 3.063 2.925 1.466 1.00 0.50 H new ATOM 0 HG13 ILE A 98 2.909 4.638 1.129 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.151 2.830 1.532 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.338 3.245 3.253 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.093 2.077 2.749 1.00 0.45 H new ATOM 0 HD11 ILE A 98 3.475 3.394 -0.895 1.00 0.83 H new ATOM 0 HD12 ILE A 98 4.792 4.509 -0.459 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.948 2.769 -0.116 1.00 0.83 H new ATOM 1478 N TYR A 99 4.553 3.564 5.756 1.00 0.42 N ATOM 1479 CA TYR A 99 5.360 3.479 6.959 1.00 0.53 C ATOM 1480 C TYR A 99 6.056 2.121 6.990 1.00 0.44 C ATOM 1481 O TYR A 99 5.422 1.096 6.760 1.00 0.50 O ATOM 1482 CB TYR A 99 4.476 3.627 8.210 1.00 0.73 C ATOM 1483 CG TYR A 99 3.462 4.754 8.158 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.281 4.620 7.446 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.696 5.960 8.805 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.360 5.649 7.384 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.782 6.993 8.748 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.585 6.808 8.085 1.00 0.92 C ATOM 1489 OH TYR A 99 0.704 7.867 7.980 1.00 1.28 O ATOM 0 H TYR A 99 3.783 2.896 5.726 1.00 0.42 H new ATOM 0 HA TYR A 99 6.097 4.282 6.954 1.00 0.53 H new ATOM 0 HB2 TYR A 99 3.944 2.689 8.372 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.122 3.781 9.075 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.076 3.694 6.930 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.611 6.092 9.364 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.467 5.542 6.786 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.002 7.940 9.219 1.00 1.11 H new ATOM 0 HH TYR A 99 1.014 8.607 8.543 1.00 1.28 H new ATOM 1499 N VAL A 100 7.352 2.108 7.253 1.00 0.44 N ATOM 1500 CA VAL A 100 8.096 0.853 7.324 1.00 0.40 C ATOM 1501 C VAL A 100 7.715 0.072 8.587 1.00 0.42 C ATOM 1502 O VAL A 100 7.637 0.638 9.680 1.00 0.56 O ATOM 1503 CB VAL A 100 9.614 1.099 7.317 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.030 1.887 8.541 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.368 -0.217 7.236 1.00 0.78 C ATOM 0 H VAL A 100 7.912 2.944 7.421 1.00 0.44 H new ATOM 0 HA VAL A 100 7.834 0.269 6.442 1.00 0.40 H new ATOM 0 HB VAL A 100 9.865 1.687 6.434 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.107 2.052 8.519 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.516 2.848 8.547 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.766 1.329 9.440 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.440 -0.022 7.232 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.115 -0.835 8.097 1.00 0.78 H new ATOM 0 HG23 VAL A 100 10.091 -0.739 6.320 1.00 0.78 H new ATOM 1515 N ASP A 101 7.479 -1.221 8.442 1.00 0.40 N ATOM 1516 CA ASP A 101 7.122 -2.057 9.581 1.00 0.50 C ATOM 1517 C ASP A 101 8.345 -2.342 10.453 1.00 0.59 C ATOM 1518 O ASP A 101 9.100 -3.282 10.201 1.00 0.77 O ATOM 1519 CB ASP A 101 6.481 -3.372 9.112 1.00 0.67 C ATOM 1520 CG ASP A 101 6.065 -4.265 10.265 1.00 0.83 C ATOM 1521 OD1 ASP A 101 5.244 -3.824 11.100 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.535 -5.420 10.327 1.00 1.02 O ATOM 0 H ASP A 101 7.527 -1.715 7.551 1.00 0.40 H new ATOM 0 HA ASP A 101 6.393 -1.513 10.181 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.608 -3.147 8.499 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.186 -3.909 8.478 1.00 0.67 H new ATOM 1527 N GLY A 102 8.563 -1.490 11.450 1.00 0.61 N ATOM 1528 CA GLY A 102 9.617 -1.725 12.422 1.00 0.81 C ATOM 1529 C GLY A 102 10.961 -1.138 12.027 1.00 0.85 C ATOM 1530 O GLY A 102 11.977 -1.461 12.643 1.00 1.53 O ATOM 0 H GLY A 102 8.026 -0.637 11.603 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.315 -1.303 13.380 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.730 -2.799 12.568 1.00 0.81 H new ATOM 1534 N GLN A 103 10.960 -0.265 11.013 1.00 0.64 N ATOM 1535 CA GLN A 103 12.184 0.370 10.502 1.00 0.60 C ATOM 1536 C GLN A 103 13.177 -0.650 9.935 1.00 0.61 C ATOM 1537 O GLN A 103 13.742 -1.471 10.655 1.00 0.65 O ATOM 1538 CB GLN A 103 12.854 1.237 11.574 1.00 0.71 C ATOM 1539 CG GLN A 103 14.110 1.942 11.082 1.00 1.01 C ATOM 1540 CD GLN A 103 14.753 2.814 12.142 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.669 2.530 13.336 1.00 1.78 O ATOM 1542 NE2 GLN A 103 15.393 3.888 11.714 1.00 2.11 N ATOM 0 H GLN A 103 10.113 0.022 10.523 1.00 0.64 H new ATOM 0 HA GLN A 103 11.877 1.016 9.680 1.00 0.60 H new ATOM 0 HB2 GLN A 103 12.141 1.983 11.925 1.00 0.71 H new ATOM 0 HB3 GLN A 103 13.109 0.612 12.430 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.831 1.196 10.746 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.860 2.556 10.217 1.00 1.01 H new ATOM 0 HE21 GLN A 103 15.440 4.089 10.715 1.00 2.11 H new ATOM 0 HE22 GLN A 103 15.840 4.516 12.382 1.00 2.11 H new ATOM 1551 N GLN A 104 13.388 -0.575 8.628 1.00 0.73 N ATOM 1552 CA GLN A 104 14.340 -1.446 7.946 1.00 0.94 C ATOM 1553 C GLN A 104 15.759 -0.959 8.209 1.00 1.02 C ATOM 1554 O GLN A 104 16.712 -1.735 8.187 1.00 1.28 O ATOM 1555 CB GLN A 104 14.056 -1.451 6.440 1.00 1.12 C ATOM 1556 CG GLN A 104 14.988 -2.336 5.617 1.00 1.96 C ATOM 1557 CD GLN A 104 14.766 -3.823 5.846 1.00 1.98 C ATOM 1558 OE1 GLN A 104 14.370 -4.247 6.932 1.00 2.02 O ATOM 1559 NE2 GLN A 104 15.022 -4.628 4.825 1.00 2.62 N ATOM 0 H GLN A 104 12.910 0.084 8.014 1.00 0.73 H new ATOM 0 HA GLN A 104 14.235 -2.462 8.327 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.029 -1.780 6.279 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.125 -0.429 6.068 1.00 1.12 H new ATOM 0 HG2 GLN A 104 14.848 -2.114 4.559 1.00 1.96 H new ATOM 0 HG3 GLN A 104 16.021 -2.089 5.861 1.00 1.96 H new ATOM 0 HE21 GLN A 104 15.349 -4.241 3.940 1.00 2.62 H new ATOM 0 HE22 GLN A 104 14.892 -5.635 4.924 1.00 2.62 H new ATOM 1568 N THR A 105 15.873 0.347 8.456 1.00 1.14 N ATOM 1569 CA THR A 105 17.159 0.995 8.695 1.00 1.42 C ATOM 1570 C THR A 105 18.025 0.936 7.430 1.00 1.11 C ATOM 1571 O THR A 105 19.247 1.079 7.479 1.00 1.04 O ATOM 1572 CB THR A 105 17.886 0.360 9.903 1.00 1.90 C ATOM 1573 OG1 THR A 105 16.943 0.147 10.964 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.002 1.261 10.417 1.00 2.43 C ATOM 0 H THR A 105 15.076 0.983 8.495 1.00 1.14 H new ATOM 0 HA THR A 105 16.979 2.042 8.938 1.00 1.42 H new ATOM 0 HB THR A 105 18.322 -0.584 9.576 1.00 1.90 H new ATOM 0 HG1 THR A 105 17.400 -0.257 11.731 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.492 0.785 11.266 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.731 1.427 9.623 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.583 2.217 10.730 1.00 2.43 H new ATOM 1582 N ASN A 106 17.350 0.732 6.295 1.00 1.04 N ATOM 1583 CA ASN A 106 17.967 0.786 4.971 1.00 0.88 C ATOM 1584 C ASN A 106 19.072 -0.255 4.802 1.00 0.81 C ATOM 1585 O ASN A 106 20.245 0.009 5.071 1.00 0.79 O ATOM 1586 CB ASN A 106 18.503 2.193 4.694 1.00 0.97 C ATOM 1587 CG ASN A 106 18.882 2.406 3.245 1.00 0.86 C ATOM 1588 OD1 ASN A 106 18.036 2.777 2.425 1.00 1.56 O ATOM 1589 ND2 ASN A 106 20.146 2.192 2.920 1.00 0.80 N ATOM 0 H ASN A 106 16.352 0.523 6.272 1.00 1.04 H new ATOM 0 HA ASN A 106 17.193 0.548 4.241 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.748 2.926 4.978 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.375 2.374 5.322 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.456 2.333 1.959 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.811 1.886 3.631 1.00 0.80 H new ATOM 1596 N THR A 107 18.680 -1.442 4.374 1.00 0.86 N ATOM 1597 CA THR A 107 19.626 -2.498 4.056 1.00 0.89 C ATOM 1598 C THR A 107 19.964 -2.407 2.571 1.00 0.80 C ATOM 1599 O THR A 107 19.079 -2.066 1.791 1.00 0.86 O ATOM 1600 CB THR A 107 19.017 -3.881 4.368 1.00 1.13 C ATOM 1601 OG1 THR A 107 18.051 -3.765 5.422 1.00 1.68 O ATOM 1602 CG2 THR A 107 20.086 -4.879 4.784 1.00 1.53 C ATOM 0 H THR A 107 17.703 -1.701 4.238 1.00 0.86 H new ATOM 0 HA THR A 107 20.526 -2.378 4.659 1.00 0.89 H new ATOM 0 HB THR A 107 18.538 -4.243 3.458 1.00 1.13 H new ATOM 0 HG1 THR A 107 17.668 -4.647 5.613 1.00 1.68 H new ATOM 0 HG21 THR A 107 19.622 -5.842 4.996 1.00 1.53 H new ATOM 0 HG22 THR A 107 20.809 -4.995 3.977 1.00 1.53 H new ATOM 0 HG23 THR A 107 20.594 -4.516 5.678 1.00 1.53 H new ATOM 1610 N PRO A 108 21.240 -2.687 2.180 1.00 0.82 N ATOM 1611 CA PRO A 108 21.762 -2.564 0.813 1.00 0.84 C ATOM 1612 C PRO A 108 20.695 -2.559 -0.284 1.00 0.76 C ATOM 1613 O PRO A 108 20.324 -3.602 -0.827 1.00 0.91 O ATOM 1614 CB PRO A 108 22.652 -3.798 0.716 1.00 1.07 C ATOM 1615 CG PRO A 108 23.140 -4.040 2.118 1.00 1.26 C ATOM 1616 CD PRO A 108 22.308 -3.182 3.049 1.00 0.99 C ATOM 0 HA PRO A 108 22.265 -1.610 0.652 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.096 -4.656 0.338 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.484 -3.631 0.032 1.00 1.07 H new ATOM 0 HG2 PRO A 108 23.043 -5.094 2.380 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.196 -3.785 2.205 1.00 1.26 H new ATOM 0 HD2 PRO A 108 21.913 -3.760 3.884 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.892 -2.366 3.475 1.00 0.99 H new ATOM 1624 N PRO A 109 20.191 -1.360 -0.605 1.00 0.61 N ATOM 1625 CA PRO A 109 19.058 -1.175 -1.489 1.00 0.56 C ATOM 1626 C PRO A 109 19.431 -0.971 -2.958 1.00 0.57 C ATOM 1627 O PRO A 109 20.481 -1.408 -3.432 1.00 0.76 O ATOM 1628 CB PRO A 109 18.399 0.097 -0.928 1.00 0.59 C ATOM 1629 CG PRO A 109 19.384 0.712 0.020 1.00 0.64 C ATOM 1630 CD PRO A 109 20.656 -0.079 -0.081 1.00 0.63 C ATOM 0 HA PRO A 109 18.422 -2.060 -1.504 1.00 0.56 H new ATOM 0 HB2 PRO A 109 18.151 0.790 -1.731 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.468 -0.144 -0.416 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.560 1.757 -0.234 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.999 0.692 1.040 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.377 0.395 -0.748 1.00 0.63 H new ATOM 0 HD3 PRO A 109 21.143 -0.190 0.888 1.00 0.63 H new ATOM 1638 N GLY A 110 18.529 -0.297 -3.654 1.00 0.49 N ATOM 1639 CA GLY A 110 18.639 -0.053 -5.071 1.00 0.58 C ATOM 1640 C GLY A 110 17.381 0.642 -5.533 1.00 0.54 C ATOM 1641 O GLY A 110 16.934 1.602 -4.895 1.00 0.76 O ATOM 0 H GLY A 110 17.687 0.100 -3.236 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.513 0.563 -5.283 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.773 -0.992 -5.608 1.00 0.58 H new ATOM 1645 N ASN A 111 16.779 0.160 -6.597 1.00 0.45 N ATOM 1646 CA ASN A 111 15.461 0.638 -6.968 1.00 0.44 C ATOM 1647 C ASN A 111 14.414 -0.329 -6.439 1.00 0.42 C ATOM 1648 O ASN A 111 14.463 -1.527 -6.723 1.00 0.58 O ATOM 1649 CB ASN A 111 15.315 0.790 -8.479 1.00 0.56 C ATOM 1650 CG ASN A 111 14.372 1.920 -8.838 1.00 1.10 C ATOM 1651 OD1 ASN A 111 13.516 2.309 -8.042 1.00 2.04 O ATOM 1652 ND2 ASN A 111 14.521 2.459 -10.035 1.00 1.41 N ATOM 0 H ASN A 111 17.171 -0.551 -7.214 1.00 0.45 H new ATOM 0 HA ASN A 111 15.319 1.625 -6.527 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.293 0.977 -8.922 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.945 -0.143 -8.905 1.00 0.56 H new ATOM 0 HD21 ASN A 111 13.915 3.225 -10.328 1.00 1.41 H new ATOM 0 HD22 ASN A 111 15.242 2.109 -10.666 1.00 1.41 H new ATOM 1659 N TYR A 112 13.488 0.185 -5.648 1.00 0.35 N ATOM 1660 CA TYR A 112 12.448 -0.636 -5.060 1.00 0.37 C ATOM 1661 C TYR A 112 11.135 -0.382 -5.760 1.00 0.42 C ATOM 1662 O TYR A 112 10.711 0.765 -5.918 1.00 0.55 O ATOM 1663 CB TYR A 112 12.293 -0.366 -3.559 1.00 0.40 C ATOM 1664 CG TYR A 112 13.354 -1.023 -2.700 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.700 -0.778 -2.909 1.00 0.64 C ATOM 1666 CD2 TYR A 112 13.003 -1.892 -1.675 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.663 -1.375 -2.128 1.00 0.67 C ATOM 1668 CE2 TYR A 112 13.965 -2.491 -0.884 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.294 -2.226 -1.118 1.00 0.59 C ATOM 1670 OH TYR A 112 16.265 -2.801 -0.342 1.00 0.69 O ATOM 0 H TYR A 112 13.437 1.173 -5.398 1.00 0.35 H new ATOM 0 HA TYR A 112 12.738 -1.679 -5.186 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.319 0.710 -3.390 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.312 -0.716 -3.237 1.00 0.40 H new ATOM 0 HD1 TYR A 112 15.000 -0.106 -3.699 1.00 0.64 H new ATOM 0 HD2 TYR A 112 11.960 -2.103 -1.493 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.708 -1.174 -2.310 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.675 -3.162 -0.089 1.00 0.75 H new ATOM 0 HH TYR A 112 15.850 -3.239 0.430 1.00 0.69 H new ATOM 1680 N THR A 113 10.510 -1.451 -6.183 1.00 0.38 N ATOM 1681 CA THR A 113 9.227 -1.375 -6.826 1.00 0.46 C ATOM 1682 C THR A 113 8.153 -1.872 -5.871 1.00 0.51 C ATOM 1683 O THR A 113 8.338 -2.864 -5.172 1.00 0.83 O ATOM 1684 CB THR A 113 9.220 -2.207 -8.121 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.258 -1.742 -8.998 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.878 -2.109 -8.832 1.00 0.74 C ATOM 0 H THR A 113 10.878 -2.398 -6.090 1.00 0.38 H new ATOM 0 HA THR A 113 9.022 -0.338 -7.090 1.00 0.46 H new ATOM 0 HB THR A 113 9.394 -3.250 -7.855 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.253 -2.274 -9.821 1.00 0.66 H new ATOM 0 HG21 THR A 113 7.904 -2.707 -9.743 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.091 -2.481 -8.176 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.676 -1.069 -9.087 1.00 0.74 H new ATOM 1694 N LEU A 114 7.071 -1.133 -5.787 1.00 0.34 N ATOM 1695 CA LEU A 114 5.941 -1.537 -4.985 1.00 0.38 C ATOM 1696 C LEU A 114 4.657 -1.230 -5.734 1.00 0.40 C ATOM 1697 O LEU A 114 4.111 -0.130 -5.650 1.00 0.47 O ATOM 1698 CB LEU A 114 5.969 -0.858 -3.607 1.00 0.43 C ATOM 1699 CG LEU A 114 6.565 0.552 -3.576 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.900 1.384 -2.494 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.073 0.500 -3.348 1.00 0.41 C ATOM 0 H LEU A 114 6.950 -0.242 -6.269 1.00 0.34 H new ATOM 0 HA LEU A 114 5.993 -2.611 -4.808 1.00 0.38 H new ATOM 0 HB2 LEU A 114 4.949 -0.811 -3.225 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.537 -1.488 -2.923 1.00 0.43 H new ATOM 0 HG LEU A 114 6.380 1.020 -4.543 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.335 2.384 -2.485 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.831 1.455 -2.695 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.056 0.912 -1.524 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.473 1.514 -3.330 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.280 0.011 -2.396 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.544 -0.062 -4.155 1.00 0.41 H new ATOM 1713 N THR A 115 4.220 -2.199 -6.519 1.00 0.42 N ATOM 1714 CA THR A 115 3.041 -2.040 -7.346 1.00 0.45 C ATOM 1715 C THR A 115 1.771 -2.199 -6.509 1.00 0.44 C ATOM 1716 O THR A 115 1.505 -3.265 -5.958 1.00 0.47 O ATOM 1717 CB THR A 115 3.047 -3.066 -8.494 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.352 -3.112 -9.100 1.00 0.56 O ATOM 1719 CG2 THR A 115 2.015 -2.704 -9.548 1.00 0.59 C ATOM 0 H THR A 115 4.670 -3.111 -6.600 1.00 0.42 H new ATOM 0 HA THR A 115 3.056 -1.036 -7.771 1.00 0.45 H new ATOM 0 HB THR A 115 2.797 -4.043 -8.081 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.999 -3.469 -8.457 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.038 -3.443 -10.349 1.00 0.59 H new ATOM 0 HG22 THR A 115 1.023 -2.689 -9.096 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.242 -1.719 -9.957 1.00 0.59 H new ATOM 1727 N LEU A 116 0.993 -1.134 -6.411 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.201 -1.135 -5.585 1.00 0.47 C ATOM 1729 C LEU A 116 -1.455 -1.226 -6.442 1.00 0.48 C ATOM 1730 O LEU A 116 -1.573 -0.556 -7.466 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.245 0.130 -4.733 1.00 0.54 C ATOM 1732 CG LEU A 116 0.912 0.291 -3.742 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.794 1.607 -2.992 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.949 -0.873 -2.763 1.00 1.05 C ATOM 0 H LEU A 116 1.169 -0.254 -6.896 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.166 -2.009 -4.934 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.257 0.995 -5.396 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.182 0.142 -4.177 1.00 0.54 H new ATOM 0 HG LEU A 116 1.844 0.296 -4.307 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.625 1.703 -2.293 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.820 2.434 -3.702 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -0.147 1.630 -2.442 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.778 -0.738 -2.069 1.00 1.05 H new ATOM 0 HD22 LEU A 116 0.012 -0.911 -2.207 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.083 -1.805 -3.311 1.00 1.05 H new ATOM 1746 N THR A 117 -2.388 -2.056 -6.020 1.00 0.44 N ATOM 1747 CA THR A 117 -3.626 -2.249 -6.747 1.00 0.48 C ATOM 1748 C THR A 117 -4.799 -1.650 -5.972 1.00 0.58 C ATOM 1749 O THR A 117 -5.122 -2.099 -4.868 1.00 0.70 O ATOM 1750 CB THR A 117 -3.871 -3.747 -7.000 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.671 -4.342 -7.514 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.009 -3.956 -7.988 1.00 0.57 C ATOM 0 H THR A 117 -2.310 -2.612 -5.169 1.00 0.44 H new ATOM 0 HA THR A 117 -3.544 -1.739 -7.707 1.00 0.48 H new ATOM 0 HB THR A 117 -4.148 -4.218 -6.057 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.822 -5.297 -7.675 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.160 -5.023 -8.148 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.923 -3.516 -7.589 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.760 -3.479 -8.936 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.417 -0.622 -6.542 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.537 0.025 -5.886 1.00 0.79 C ATOM 1762 C GLY A 118 -7.836 -0.718 -6.112 1.00 0.64 C ATOM 1763 O GLY A 118 -7.907 -1.620 -6.949 1.00 0.80 O ATOM 0 H GLY A 118 -5.162 -0.225 -7.447 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.340 0.093 -4.816 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.634 1.045 -6.257 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.861 -0.355 -5.361 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.148 -0.990 -5.519 1.00 0.50 C ATOM 1769 C GLY A 119 -10.881 -1.120 -4.208 1.00 0.44 C ATOM 1770 O GLY A 119 -10.393 -0.667 -3.172 1.00 0.53 O ATOM 0 H GLY A 119 -8.824 0.369 -4.644 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.754 -0.412 -6.217 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -10.013 -1.979 -5.958 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.025 -1.778 -4.238 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.825 -1.943 -3.041 1.00 0.41 C ATOM 1776 C TYR A 120 -12.581 -3.299 -2.392 1.00 0.43 C ATOM 1777 O TYR A 120 -11.724 -4.076 -2.828 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.314 -1.766 -3.352 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.908 -2.808 -4.281 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -14.920 -2.617 -5.655 1.00 0.63 C ATOM 1781 CD2 TYR A 120 -15.482 -3.971 -3.777 1.00 0.61 C ATOM 1782 CE1 TYR A 120 -15.481 -3.554 -6.500 1.00 0.73 C ATOM 1783 CE2 TYR A 120 -16.049 -4.909 -4.615 1.00 0.71 C ATOM 1784 CZ TYR A 120 -16.046 -4.698 -5.975 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.622 -5.628 -6.813 1.00 0.89 O ATOM 0 H TYR A 120 -12.419 -2.205 -5.076 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.521 -1.170 -2.336 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.869 -1.780 -2.414 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.462 -0.781 -3.795 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -14.483 -1.721 -6.071 1.00 0.63 H new ATOM 0 HD2 TYR A 120 -15.484 -4.143 -2.711 1.00 0.61 H new ATOM 0 HE1 TYR A 120 -15.478 -3.392 -7.568 1.00 0.73 H new ATOM 0 HE2 TYR A 120 -16.493 -5.804 -4.206 1.00 0.71 H new ATOM 0 HH TYR A 120 -16.972 -6.374 -6.283 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.327 -3.553 -1.336 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.257 -4.798 -0.598 1.00 0.40 C ATOM 1797 C TRP A 121 -14.629 -5.083 0.013 1.00 0.48 C ATOM 1798 O TRP A 121 -15.375 -4.152 0.324 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.157 -4.688 0.475 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.375 -5.537 1.686 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.300 -5.316 2.656 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.653 -6.712 2.082 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.238 -6.295 3.599 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.236 -7.155 3.280 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.588 -7.448 1.546 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.800 -8.281 3.947 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -10.157 -8.575 2.229 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.764 -8.975 3.411 1.00 0.51 C ATOM 0 H TRP A 121 -14.008 -2.892 -0.961 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.998 -5.629 -1.254 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.202 -4.960 0.025 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.077 -3.647 0.788 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.986 -4.482 2.676 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.846 -6.371 4.414 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -10.115 -7.145 0.624 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.268 -8.600 4.866 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -9.334 -9.152 1.834 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -10.404 -9.859 3.916 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.960 -6.359 0.172 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.236 -6.755 0.743 1.00 0.73 C ATOM 1821 C ALA A 122 -16.050 -7.652 1.968 1.00 0.90 C ATOM 1822 O ALA A 122 -15.129 -8.472 2.019 1.00 1.42 O ATOM 1823 CB ALA A 122 -17.078 -7.462 -0.305 1.00 0.94 C ATOM 0 H ALA A 122 -14.357 -7.139 -0.089 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.752 -5.852 1.070 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -18.032 -7.755 0.132 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.255 -6.789 -1.144 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.552 -8.350 -0.656 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.946 -7.478 2.938 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.964 -8.246 4.187 1.00 0.97 C ATOM 1831 C LYS A 123 -15.727 -7.969 5.042 1.00 0.83 C ATOM 1832 O LYS A 123 -15.279 -6.826 5.112 1.00 0.86 O ATOM 1833 CB LYS A 123 -17.143 -9.740 3.914 1.00 1.10 C ATOM 1834 CG LYS A 123 -18.498 -10.068 3.303 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.867 -11.530 3.494 1.00 1.97 C ATOM 1836 CE LYS A 123 -19.054 -11.873 4.966 1.00 2.89 C ATOM 1837 NZ LYS A 123 -20.071 -11.006 5.618 1.00 3.47 N ATOM 0 H LYS A 123 -17.694 -6.787 2.879 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.827 -7.913 4.764 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.355 -10.079 3.242 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -17.027 -10.292 4.847 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -19.263 -9.438 3.757 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -18.483 -9.834 2.239 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -19.786 -11.748 2.949 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -18.087 -12.161 3.069 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -19.355 -12.917 5.059 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -18.102 -11.768 5.486 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -20.352 -11.424 6.528 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.668 -10.061 5.781 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -20.905 -10.925 5.002 1.00 3.47 H new ATOM 1851 N ASP A 124 -15.203 -8.981 5.735 1.00 0.82 N ATOM 1852 CA ASP A 124 -14.030 -8.775 6.587 1.00 0.81 C ATOM 1853 C ASP A 124 -13.157 -10.030 6.685 1.00 0.71 C ATOM 1854 O ASP A 124 -13.635 -11.110 7.022 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.444 -8.310 7.993 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.096 -9.402 8.826 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.253 -9.774 8.532 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -14.454 -9.890 9.779 1.00 2.08 O ATOM 0 H ASP A 124 -15.564 -9.935 5.725 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.435 -7.993 6.115 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -13.564 -7.940 8.519 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -15.136 -7.473 7.901 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.876 -9.859 6.338 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.831 -10.894 6.448 1.00 0.73 C ATOM 1865 C ASN A 125 -11.081 -12.121 5.556 1.00 0.73 C ATOM 1866 O ASN A 125 -10.158 -12.885 5.268 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.662 -11.312 7.905 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.420 -12.154 8.141 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -8.334 -11.622 8.372 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -9.571 -13.468 8.110 1.00 2.40 N ATOM 0 H ASN A 125 -11.525 -8.978 5.964 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.908 -10.444 6.083 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.614 -10.420 8.530 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -11.541 -11.875 8.220 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -8.771 -14.077 8.281 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -10.487 -13.872 7.915 1.00 2.40 H new ATOM 1877 N LYS A 126 -12.312 -12.294 5.100 1.00 0.66 N ATOM 1878 CA LYS A 126 -12.673 -13.404 4.220 1.00 0.76 C ATOM 1879 C LYS A 126 -12.083 -13.205 2.825 1.00 0.76 C ATOM 1880 O LYS A 126 -12.217 -14.064 1.957 1.00 1.09 O ATOM 1881 CB LYS A 126 -14.197 -13.525 4.141 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.869 -12.365 3.419 1.00 0.82 C ATOM 1883 CD LYS A 126 -15.266 -12.748 2.001 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.773 -11.550 1.220 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.409 -11.956 -0.061 1.00 1.96 N ATOM 0 H LYS A 126 -13.089 -11.673 5.326 1.00 0.66 H new ATOM 0 HA LYS A 126 -12.261 -14.325 4.632 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -14.452 -14.454 3.632 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -14.600 -13.594 5.152 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.753 -12.052 3.974 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -14.192 -11.511 3.391 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -14.408 -13.182 1.487 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -16.039 -13.515 2.034 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.493 -11.000 1.825 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.944 -10.872 1.016 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.743 -11.110 -0.566 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -15.714 -12.459 -0.649 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -17.215 -12.583 0.135 1.00 1.96 H new ATOM 1899 N GLN A 127 -11.440 -12.055 2.636 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.856 -11.666 1.360 1.00 0.64 C ATOM 1901 C GLN A 127 -11.943 -11.350 0.337 1.00 0.63 C ATOM 1902 O GLN A 127 -12.273 -12.167 -0.520 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.890 -12.737 0.827 1.00 0.79 C ATOM 1904 CG GLN A 127 -9.221 -12.355 -0.484 1.00 1.28 C ATOM 1905 CD GLN A 127 -8.257 -13.413 -0.993 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -8.092 -13.582 -2.201 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -7.602 -14.118 -0.081 1.00 1.62 N ATOM 0 H GLN A 127 -11.310 -11.362 3.373 1.00 0.63 H new ATOM 0 HA GLN A 127 -10.275 -10.760 1.529 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -9.121 -12.926 1.576 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -10.436 -13.670 0.688 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -9.988 -12.178 -1.238 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -8.683 -11.416 -0.350 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.767 -13.947 0.911 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.933 -14.831 -0.371 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.537 -10.168 0.464 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.469 -9.709 -0.533 1.00 0.50 C ATOM 1918 C GLY A 128 -12.882 -8.591 -1.365 1.00 0.45 C ATOM 1919 O GLY A 128 -13.597 -7.696 -1.803 1.00 0.77 O ATOM 0 H GLY A 128 -12.386 -9.525 1.241 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.748 -10.539 -1.182 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.382 -9.363 -0.048 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.572 -8.631 -1.570 1.00 0.61 N ATOM 1924 CA PHE A 129 -10.879 -7.563 -2.262 1.00 0.63 C ATOM 1925 C PHE A 129 -11.168 -7.616 -3.764 1.00 0.58 C ATOM 1926 O PHE A 129 -11.316 -8.692 -4.344 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.367 -7.657 -2.002 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.612 -8.534 -2.967 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.549 -9.903 -2.780 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -7.960 -7.980 -4.060 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -7.853 -10.704 -3.664 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.264 -8.777 -4.946 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.210 -10.141 -4.749 1.00 1.14 C ATOM 0 H PHE A 129 -10.970 -9.396 -1.264 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.242 -6.609 -1.879 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -8.944 -6.653 -2.038 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.209 -8.034 -0.991 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.049 -10.350 -1.934 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -7.998 -6.912 -4.219 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.811 -11.772 -3.507 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.762 -8.333 -5.793 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.666 -10.767 -5.441 1.00 1.14 H new ATOM 1943 N THR A 130 -11.269 -6.453 -4.382 1.00 0.61 N ATOM 1944 CA THR A 130 -11.446 -6.367 -5.822 1.00 0.63 C ATOM 1945 C THR A 130 -10.681 -5.162 -6.377 1.00 0.60 C ATOM 1946 O THR A 130 -10.697 -4.083 -5.776 1.00 0.67 O ATOM 1947 CB THR A 130 -12.943 -6.252 -6.182 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.672 -7.313 -5.551 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.160 -6.315 -7.687 1.00 0.90 C ATOM 0 H THR A 130 -11.231 -5.551 -3.907 1.00 0.61 H new ATOM 0 HA THR A 130 -11.050 -7.278 -6.271 1.00 0.63 H new ATOM 0 HB THR A 130 -13.302 -5.286 -5.826 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.493 -6.955 -5.154 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.225 -6.231 -7.905 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.626 -5.495 -8.166 1.00 0.90 H new ATOM 0 HG23 THR A 130 -12.785 -7.264 -8.069 1.00 0.90 H new ATOM 1957 N PRO A 131 -9.947 -5.348 -7.488 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.257 -4.254 -8.175 1.00 0.65 C ATOM 1959 C PRO A 131 -10.234 -3.347 -8.920 1.00 0.63 C ATOM 1960 O PRO A 131 -11.047 -3.814 -9.720 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.330 -4.973 -9.157 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.991 -6.282 -9.418 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.714 -6.648 -8.150 1.00 0.75 C ATOM 0 HA PRO A 131 -8.727 -3.600 -7.482 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.209 -4.401 -10.077 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.335 -5.110 -8.733 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -9.686 -6.207 -10.254 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -8.257 -7.043 -9.681 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.651 -7.164 -8.359 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.116 -7.313 -7.526 1.00 0.75 H new ATOM 1971 N SER A 132 -10.162 -2.055 -8.644 1.00 0.55 N ATOM 1972 CA SER A 132 -11.062 -1.086 -9.251 1.00 0.57 C ATOM 1973 C SER A 132 -10.392 0.282 -9.318 1.00 0.56 C ATOM 1974 O SER A 132 -10.121 0.899 -8.287 1.00 0.73 O ATOM 1975 CB SER A 132 -12.360 -0.999 -8.444 1.00 0.64 C ATOM 1976 OG SER A 132 -12.929 -2.286 -8.262 1.00 1.52 O ATOM 0 H SER A 132 -9.484 -1.650 -7.998 1.00 0.55 H new ATOM 0 HA SER A 132 -11.298 -1.410 -10.264 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.160 -0.545 -7.474 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.070 -0.352 -8.959 1.00 0.64 H new ATOM 0 HG SER A 132 -13.487 -2.286 -7.456 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.121 0.745 -10.530 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.437 2.007 -10.712 1.00 0.57 C ATOM 1984 C GLY A 133 -8.201 1.855 -11.564 1.00 0.62 C ATOM 1985 O GLY A 133 -8.296 1.688 -12.780 1.00 1.17 O ATOM 0 H GLY A 133 -10.365 0.264 -11.396 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.114 2.724 -11.177 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.161 2.415 -9.740 1.00 0.57 H new ATOM 1989 N THR A 134 -7.042 1.898 -10.934 1.00 0.62 N ATOM 1990 CA THR A 134 -5.789 1.742 -11.647 1.00 0.97 C ATOM 1991 C THR A 134 -4.737 1.114 -10.738 1.00 0.68 C ATOM 1992 O THR A 134 -4.813 1.226 -9.509 1.00 0.95 O ATOM 1993 CB THR A 134 -5.282 3.098 -12.199 1.00 1.77 C ATOM 1994 OG1 THR A 134 -4.082 2.919 -12.963 1.00 2.38 O ATOM 1995 CG2 THR A 134 -5.023 4.079 -11.072 1.00 2.47 C ATOM 0 H THR A 134 -6.943 2.040 -9.929 1.00 0.62 H new ATOM 0 HA THR A 134 -5.966 1.080 -12.495 1.00 0.97 H new ATOM 0 HB THR A 134 -6.060 3.502 -12.847 1.00 1.77 H new ATOM 0 HG1 THR A 134 -3.779 3.786 -13.304 1.00 2.38 H new ATOM 0 HG21 THR A 134 -4.668 5.023 -11.486 1.00 2.47 H new ATOM 0 HG22 THR A 134 -5.947 4.250 -10.519 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.268 3.670 -10.400 1.00 2.47 H new ATOM 2003 N THR A 135 -3.779 0.431 -11.344 1.00 0.72 N ATOM 2004 CA THR A 135 -2.691 -0.175 -10.604 1.00 0.70 C ATOM 2005 C THR A 135 -1.500 0.782 -10.559 1.00 0.64 C ATOM 2006 O THR A 135 -0.719 0.869 -11.507 1.00 0.88 O ATOM 2007 CB THR A 135 -2.269 -1.512 -11.243 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.432 -2.305 -11.525 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.343 -2.287 -10.322 1.00 1.27 C ATOM 0 H THR A 135 -3.736 0.284 -12.352 1.00 0.72 H new ATOM 0 HA THR A 135 -3.033 -0.375 -9.589 1.00 0.70 H new ATOM 0 HB THR A 135 -1.737 -1.293 -12.169 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.159 -3.153 -11.933 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.060 -3.226 -10.797 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.448 -1.696 -10.125 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.855 -2.495 -9.382 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.389 1.519 -9.465 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.341 2.507 -9.337 1.00 0.58 C ATOM 2019 C GLY A 136 0.960 1.904 -8.858 1.00 0.45 C ATOM 2020 O GLY A 136 0.981 1.135 -7.899 1.00 0.67 O ATOM 0 H GLY A 136 -2.010 1.449 -8.659 1.00 0.52 H new ATOM 0 HA2 GLY A 136 -0.182 2.991 -10.300 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.658 3.282 -8.639 1.00 0.58 H new ATOM 2024 N THR A 137 2.042 2.242 -9.527 1.00 0.38 N ATOM 2025 CA THR A 137 3.346 1.736 -9.164 1.00 0.33 C ATOM 2026 C THR A 137 4.135 2.798 -8.420 1.00 0.33 C ATOM 2027 O THR A 137 4.551 3.797 -9.006 1.00 0.39 O ATOM 2028 CB THR A 137 4.143 1.305 -10.409 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.346 0.424 -11.212 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.437 0.612 -10.012 1.00 0.50 C ATOM 0 H THR A 137 2.042 2.870 -10.331 1.00 0.38 H new ATOM 0 HA THR A 137 3.194 0.868 -8.522 1.00 0.33 H new ATOM 0 HB THR A 137 4.394 2.196 -10.984 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.855 0.153 -12.004 1.00 0.58 H new ATOM 0 HG21 THR A 137 5.982 0.317 -10.909 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.050 1.295 -9.423 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.208 -0.273 -9.419 1.00 0.50 H new ATOM 2038 N THR A 138 4.322 2.602 -7.128 1.00 0.32 N ATOM 2039 CA THR A 138 5.150 3.503 -6.363 1.00 0.36 C ATOM 2040 C THR A 138 6.597 3.048 -6.471 1.00 0.37 C ATOM 2041 O THR A 138 6.942 1.927 -6.106 1.00 0.38 O ATOM 2042 CB THR A 138 4.703 3.580 -4.886 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.294 3.837 -4.826 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.447 4.680 -4.147 1.00 0.52 C ATOM 0 H THR A 138 3.915 1.834 -6.595 1.00 0.32 H new ATOM 0 HA THR A 138 5.048 4.508 -6.771 1.00 0.36 H new ATOM 0 HB THR A 138 4.931 2.627 -4.408 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.010 3.884 -3.889 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.113 4.712 -3.110 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.518 4.479 -4.177 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.245 5.639 -4.623 1.00 0.52 H new ATOM 2052 N LYS A 139 7.426 3.898 -7.042 1.00 0.41 N ATOM 2053 CA LYS A 139 8.825 3.578 -7.243 1.00 0.44 C ATOM 2054 C LYS A 139 9.673 4.309 -6.228 1.00 0.44 C ATOM 2055 O LYS A 139 9.572 5.525 -6.073 1.00 0.49 O ATOM 2056 CB LYS A 139 9.249 3.954 -8.663 1.00 0.53 C ATOM 2057 CG LYS A 139 10.636 3.455 -9.048 1.00 0.59 C ATOM 2058 CD LYS A 139 10.649 1.956 -9.311 1.00 1.21 C ATOM 2059 CE LYS A 139 9.744 1.577 -10.472 1.00 1.33 C ATOM 2060 NZ LYS A 139 9.983 0.184 -10.929 1.00 2.18 N ATOM 0 H LYS A 139 7.153 4.822 -7.377 1.00 0.41 H new ATOM 0 HA LYS A 139 8.968 2.506 -7.109 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.521 3.551 -9.367 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.224 5.039 -8.764 1.00 0.53 H new ATOM 0 HG2 LYS A 139 10.977 3.983 -9.939 1.00 0.59 H new ATOM 0 HG3 LYS A 139 11.340 3.689 -8.250 1.00 0.59 H new ATOM 0 HD2 LYS A 139 11.668 1.634 -9.525 1.00 1.21 H new ATOM 0 HD3 LYS A 139 10.329 1.427 -8.413 1.00 1.21 H new ATOM 0 HE2 LYS A 139 8.702 1.687 -10.171 1.00 1.33 H new ATOM 0 HE3 LYS A 139 9.910 2.265 -11.301 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.101 -0.211 -11.314 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 10.715 0.182 -11.668 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.301 -0.395 -10.126 1.00 2.18 H new ATOM 2074 N LEU A 140 10.501 3.559 -5.536 1.00 0.45 N ATOM 2075 CA LEU A 140 11.315 4.110 -4.481 1.00 0.44 C ATOM 2076 C LEU A 140 12.790 3.790 -4.710 1.00 0.39 C ATOM 2077 O LEU A 140 13.250 2.673 -4.469 1.00 0.40 O ATOM 2078 CB LEU A 140 10.824 3.576 -3.133 1.00 0.46 C ATOM 2079 CG LEU A 140 11.787 3.760 -1.967 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.109 5.233 -1.745 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.209 3.150 -0.702 1.00 0.62 C ATOM 0 H LEU A 140 10.627 2.558 -5.688 1.00 0.45 H new ATOM 0 HA LEU A 140 11.222 5.196 -4.480 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.884 4.069 -2.887 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.608 2.513 -3.239 1.00 0.46 H new ATOM 0 HG LEU A 140 12.716 3.245 -2.214 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.798 5.332 -0.907 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.569 5.644 -2.644 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.190 5.777 -1.526 1.00 0.63 H new ATOM 0 HD21 LEU A 140 11.909 3.290 0.122 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.264 3.637 -0.462 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.039 2.085 -0.857 1.00 0.62 H new ATOM 2093 N THR A 141 13.525 4.778 -5.191 1.00 0.39 N ATOM 2094 CA THR A 141 14.946 4.622 -5.444 1.00 0.38 C ATOM 2095 C THR A 141 15.749 5.212 -4.288 1.00 0.34 C ATOM 2096 O THR A 141 15.355 6.222 -3.704 1.00 0.40 O ATOM 2097 CB THR A 141 15.350 5.322 -6.757 1.00 0.48 C ATOM 2098 OG1 THR A 141 14.427 4.970 -7.800 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.759 4.926 -7.176 1.00 0.54 C ATOM 0 H THR A 141 13.157 5.703 -5.415 1.00 0.39 H new ATOM 0 HA THR A 141 15.160 3.557 -5.534 1.00 0.38 H new ATOM 0 HB THR A 141 15.326 6.399 -6.589 1.00 0.48 H new ATOM 0 HG1 THR A 141 14.094 4.061 -7.649 1.00 0.58 H new ATOM 0 HG21 THR A 141 17.019 5.434 -8.105 1.00 0.54 H new ATOM 0 HG22 THR A 141 17.465 5.213 -6.396 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.804 3.847 -7.327 1.00 0.54 H new ATOM 2107 N VAL A 142 16.854 4.570 -3.936 1.00 0.44 N ATOM 2108 CA VAL A 142 17.694 5.065 -2.859 1.00 0.57 C ATOM 2109 C VAL A 142 18.814 5.964 -3.394 1.00 0.77 C ATOM 2110 O VAL A 142 19.782 5.501 -4.000 1.00 1.10 O ATOM 2111 CB VAL A 142 18.280 3.906 -2.018 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.088 2.948 -2.878 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.124 4.441 -0.872 1.00 1.74 C ATOM 0 H VAL A 142 17.186 3.713 -4.377 1.00 0.44 H new ATOM 0 HA VAL A 142 17.060 5.665 -2.207 1.00 0.57 H new ATOM 0 HB VAL A 142 17.443 3.349 -1.597 1.00 0.80 H new ATOM 0 HG11 VAL A 142 19.485 2.146 -2.255 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.447 2.524 -3.651 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.913 3.486 -3.346 1.00 1.69 H new ATOM 0 HG21 VAL A 142 19.525 3.607 -0.295 1.00 1.74 H new ATOM 0 HG22 VAL A 142 19.946 5.034 -1.272 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.507 5.065 -0.226 1.00 1.74 H new ATOM 2123 N THR A 143 18.651 7.261 -3.199 1.00 0.85 N ATOM 2124 CA THR A 143 19.662 8.236 -3.576 1.00 1.18 C ATOM 2125 C THR A 143 19.488 9.497 -2.733 1.00 1.82 C ATOM 2126 O THR A 143 20.054 9.543 -1.622 1.00 2.22 O ATOM 2127 CB THR A 143 19.594 8.594 -5.084 1.00 1.54 C ATOM 2128 OG1 THR A 143 19.778 7.411 -5.878 1.00 2.04 O ATOM 2129 CG2 THR A 143 20.662 9.616 -5.454 1.00 1.94 C ATOM 2130 OXT THR A 143 18.758 10.414 -3.161 1.00 2.58 O ATOM 0 H THR A 143 17.817 7.668 -2.776 1.00 0.85 H new ATOM 0 HA THR A 143 20.641 7.793 -3.392 1.00 1.18 H new ATOM 0 HB THR A 143 18.613 9.025 -5.282 1.00 1.54 H new ATOM 0 HG1 THR A 143 20.113 6.685 -5.311 1.00 2.04 H new ATOM 0 HG21 THR A 143 20.591 9.848 -6.517 1.00 1.94 H new ATOM 0 HG22 THR A 143 20.512 10.526 -4.873 1.00 1.94 H new ATOM 0 HG23 THR A 143 21.648 9.206 -5.238 1.00 1.94 H new TER 2138 THR A 143