USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 671 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 71 GLN : amide:sc= -0.118 K(o=-0.47,f=-1.7!) USER MOD Set 1.2: A 73 THR OG1 : rot 91:sc= -0.349 USER MOD Set 2.1: A 44 HIS : no HD1:sc= 0.578 K(o=1.3,f=-5.9!) USER MOD Set 2.2: A 54 GLN : amide:sc= 0.77 K(o=1.3,f=-2.6) USER MOD Set 3.1: A 37 ASN : amide:sc= -1.79 K(o=-3.7,f=-5.4!) USER MOD Set 3.2: A 40 GLN : amide:sc= -1.9 K(o=-3.7,f=-10!) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.076) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.37 (180deg=-0.729) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.098 USER MOD Single : A 7 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.37) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 13 ASN : amide:sc= 0.0941 X(o=0.094,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.114 USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.26) USER MOD Single : A 30 SER OG : rot 70:sc= 0.888 USER MOD Single : A 45 SER OG : rot -160:sc= 0.0487 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 173:sc= 0 (180deg=-0.0947) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -1.79 F(o=-4.4!,f=-1.8) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.72! C(o=-1.7!,f=-6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.8) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -144:sc= 0.309 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0215 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.869 -8.170 -11.817 1.00 6.70 N ATOM 2 CA MET A 1 -1.075 -7.207 -11.022 1.00 6.30 C ATOM 3 C MET A 1 -1.763 -5.847 -10.981 1.00 5.83 C ATOM 4 O MET A 1 -1.914 -5.187 -12.011 1.00 6.14 O ATOM 5 CB MET A 1 0.330 -7.064 -11.613 1.00 6.81 C ATOM 6 CG MET A 1 1.435 -7.100 -10.571 1.00 7.17 C ATOM 7 SD MET A 1 2.919 -7.942 -11.157 1.00 7.86 S ATOM 8 CE MET A 1 3.367 -6.902 -12.546 1.00 8.54 C ATOM 0 H1 MET A 1 -1.241 -8.684 -12.467 1.00 6.70 H new ATOM 0 H2 MET A 1 -2.335 -8.846 -11.179 1.00 6.70 H new ATOM 0 H3 MET A 1 -2.589 -7.657 -12.365 1.00 6.70 H new ATOM 0 HA MET A 1 -0.995 -7.587 -10.004 1.00 6.30 H new ATOM 0 HB2 MET A 1 0.495 -7.865 -12.333 1.00 6.81 H new ATOM 0 HB3 MET A 1 0.390 -6.124 -12.162 1.00 6.81 H new ATOM 0 HG2 MET A 1 1.691 -6.080 -10.283 1.00 7.17 H new ATOM 0 HG3 MET A 1 1.068 -7.601 -9.675 1.00 7.17 H new ATOM 0 HE1 MET A 1 4.325 -7.228 -12.951 1.00 8.54 H new ATOM 0 HE2 MET A 1 2.602 -6.978 -13.319 1.00 8.54 H new ATOM 0 HE3 MET A 1 3.447 -5.867 -12.215 1.00 8.54 H new ATOM 20 N GLY A 2 -2.205 -5.445 -9.796 1.00 5.41 N ATOM 21 CA GLY A 2 -2.814 -4.141 -9.643 1.00 5.21 C ATOM 22 C GLY A 2 -4.077 -4.156 -8.800 1.00 4.76 C ATOM 23 O GLY A 2 -4.732 -3.124 -8.651 1.00 5.03 O ATOM 0 H GLY A 2 -2.152 -5.998 -8.941 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -2.092 -3.463 -9.189 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -3.050 -3.741 -10.629 1.00 5.21 H new ATOM 27 N VAL A 3 -4.435 -5.312 -8.247 1.00 4.46 N ATOM 28 CA VAL A 3 -5.610 -5.391 -7.383 1.00 4.34 C ATOM 29 C VAL A 3 -5.258 -4.978 -5.949 1.00 3.47 C ATOM 30 O VAL A 3 -5.015 -5.806 -5.069 1.00 3.74 O ATOM 31 CB VAL A 3 -6.280 -6.795 -7.417 1.00 5.24 C ATOM 32 CG1 VAL A 3 -5.305 -7.906 -7.056 1.00 6.05 C ATOM 33 CG2 VAL A 3 -7.509 -6.835 -6.513 1.00 5.84 C ATOM 0 H VAL A 3 -3.938 -6.193 -8.378 1.00 4.46 H new ATOM 0 HA VAL A 3 -6.344 -4.687 -7.775 1.00 4.34 H new ATOM 0 HB VAL A 3 -6.601 -6.971 -8.444 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -5.818 -8.867 -7.093 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -4.478 -7.909 -7.766 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -4.920 -7.739 -6.050 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -7.959 -7.827 -6.554 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -7.214 -6.613 -5.487 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -8.233 -6.094 -6.851 1.00 5.84 H new ATOM 43 N THR A 4 -5.197 -3.676 -5.732 1.00 2.94 N ATOM 44 CA THR A 4 -4.913 -3.133 -4.417 1.00 2.60 C ATOM 45 C THR A 4 -6.207 -2.829 -3.668 1.00 2.42 C ATOM 46 O THR A 4 -6.553 -3.512 -2.701 1.00 3.09 O ATOM 47 CB THR A 4 -4.078 -1.848 -4.537 1.00 2.97 C ATOM 48 OG1 THR A 4 -4.143 -1.364 -5.888 1.00 3.36 O ATOM 49 CG2 THR A 4 -2.629 -2.105 -4.146 1.00 3.59 C ATOM 0 H THR A 4 -5.342 -2.972 -6.455 1.00 2.94 H new ATOM 0 HA THR A 4 -4.347 -3.880 -3.859 1.00 2.60 H new ATOM 0 HB THR A 4 -4.485 -1.099 -3.858 1.00 2.97 H new ATOM 0 HG1 THR A 4 -3.613 -0.544 -5.967 1.00 3.36 H new ATOM 0 HG21 THR A 4 -2.058 -1.181 -4.239 1.00 3.59 H new ATOM 0 HG22 THR A 4 -2.587 -2.455 -3.115 1.00 3.59 H new ATOM 0 HG23 THR A 4 -2.203 -2.862 -4.804 1.00 3.59 H new ATOM 57 N GLU A 5 -6.916 -1.809 -4.138 1.00 2.01 N ATOM 58 CA GLU A 5 -8.169 -1.371 -3.531 1.00 1.95 C ATOM 59 C GLU A 5 -8.834 -0.342 -4.438 1.00 2.02 C ATOM 60 O GLU A 5 -8.784 0.859 -4.173 1.00 2.45 O ATOM 61 CB GLU A 5 -7.912 -0.759 -2.151 1.00 2.25 C ATOM 62 CG GLU A 5 -8.518 -1.549 -1.004 1.00 2.50 C ATOM 63 CD GLU A 5 -8.685 -0.714 0.244 1.00 3.01 C ATOM 64 OE1 GLU A 5 -7.769 0.072 0.565 1.00 3.44 O ATOM 65 OE2 GLU A 5 -9.736 -0.833 0.907 1.00 3.47 O ATOM 0 H GLU A 5 -6.638 -1.261 -4.952 1.00 2.01 H new ATOM 0 HA GLU A 5 -8.825 -2.233 -3.409 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -6.836 -0.678 -1.995 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -8.314 0.254 -2.133 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -9.489 -1.941 -1.309 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -7.884 -2.407 -0.782 1.00 2.50 H new ATOM 72 N ALA A 6 -9.448 -0.816 -5.510 1.00 1.93 N ATOM 73 CA ALA A 6 -9.962 0.072 -6.540 1.00 2.21 C ATOM 74 C ALA A 6 -11.455 0.330 -6.382 1.00 1.87 C ATOM 75 O ALA A 6 -12.265 -0.598 -6.378 1.00 2.34 O ATOM 76 CB ALA A 6 -9.672 -0.503 -7.918 1.00 3.01 C ATOM 0 H ALA A 6 -9.602 -1.808 -5.689 1.00 1.93 H new ATOM 0 HA ALA A 6 -9.453 1.029 -6.430 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -10.061 0.170 -8.682 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -8.595 -0.614 -8.047 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -10.151 -1.477 -8.014 1.00 3.01 H new ATOM 82 N GLN A 7 -11.814 1.599 -6.252 1.00 1.57 N ATOM 83 CA GLN A 7 -13.211 2.003 -6.204 1.00 1.65 C ATOM 84 C GLN A 7 -13.821 1.948 -7.607 1.00 1.53 C ATOM 85 O GLN A 7 -14.110 2.979 -8.217 1.00 1.80 O ATOM 86 CB GLN A 7 -13.331 3.419 -5.626 1.00 2.14 C ATOM 87 CG GLN A 7 -14.167 3.495 -4.358 1.00 2.64 C ATOM 88 CD GLN A 7 -15.553 2.913 -4.541 1.00 3.04 C ATOM 89 OE1 GLN A 7 -16.188 3.106 -5.579 1.00 3.51 O ATOM 90 NE2 GLN A 7 -16.036 2.209 -3.532 1.00 3.49 N ATOM 0 H GLN A 7 -11.152 2.371 -6.177 1.00 1.57 H new ATOM 0 HA GLN A 7 -13.757 1.315 -5.558 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -12.332 3.801 -5.415 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -13.770 4.073 -6.379 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -13.655 2.961 -3.557 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -14.252 4.535 -4.045 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -15.476 2.074 -2.690 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -16.969 1.801 -3.595 1.00 3.49 H new ATOM 99 N TYR A 8 -14.005 0.735 -8.111 1.00 1.48 N ATOM 100 CA TYR A 8 -14.474 0.534 -9.474 1.00 1.47 C ATOM 101 C TYR A 8 -15.568 -0.530 -9.521 1.00 1.56 C ATOM 102 O TYR A 8 -16.621 -0.326 -10.128 1.00 2.27 O ATOM 103 CB TYR A 8 -13.298 0.116 -10.363 1.00 1.61 C ATOM 104 CG TYR A 8 -13.581 0.181 -11.848 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.554 1.393 -12.525 1.00 1.71 C ATOM 106 CD2 TYR A 8 -13.894 -0.964 -12.566 1.00 1.79 C ATOM 107 CE1 TYR A 8 -13.834 1.461 -13.877 1.00 1.89 C ATOM 108 CE2 TYR A 8 -14.170 -0.905 -13.918 1.00 2.00 C ATOM 109 CZ TYR A 8 -14.058 0.294 -14.585 1.00 2.01 C ATOM 110 OH TYR A 8 -14.426 0.373 -15.914 1.00 2.32 O ATOM 0 H TYR A 8 -13.836 -0.127 -7.593 1.00 1.48 H new ATOM 0 HA TYR A 8 -14.894 1.470 -9.841 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -12.445 0.756 -10.140 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -13.008 -0.903 -10.105 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -13.310 2.297 -11.987 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -13.922 -1.917 -12.059 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -13.878 2.418 -14.376 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -14.472 -1.795 -14.449 1.00 2.00 H new ATOM 0 HH TYR A 8 -14.546 -0.530 -16.274 1.00 2.32 H new ATOM 120 N VAL A 9 -15.308 -1.658 -8.852 1.00 1.35 N ATOM 121 CA VAL A 9 -16.224 -2.803 -8.838 1.00 1.47 C ATOM 122 C VAL A 9 -16.663 -3.170 -10.261 1.00 1.51 C ATOM 123 O VAL A 9 -15.826 -3.235 -11.167 1.00 2.13 O ATOM 124 CB VAL A 9 -17.467 -2.557 -7.942 1.00 1.74 C ATOM 125 CG1 VAL A 9 -17.900 -3.849 -7.267 1.00 2.00 C ATOM 126 CG2 VAL A 9 -17.198 -1.488 -6.889 1.00 2.05 C ATOM 0 H VAL A 9 -14.459 -1.803 -8.306 1.00 1.35 H new ATOM 0 HA VAL A 9 -15.672 -3.639 -8.408 1.00 1.47 H new ATOM 0 HB VAL A 9 -18.270 -2.201 -8.588 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -18.773 -3.658 -6.643 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -18.152 -4.590 -8.026 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.086 -4.226 -6.648 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -18.091 -1.343 -6.281 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -16.372 -1.805 -6.252 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.938 -0.550 -7.380 1.00 2.05 H new ATOM 136 N ALA A 10 -17.963 -3.409 -10.450 1.00 1.41 N ATOM 137 CA ALA A 10 -18.512 -3.748 -11.763 1.00 1.50 C ATOM 138 C ALA A 10 -20.022 -3.935 -11.695 1.00 1.34 C ATOM 139 O ALA A 10 -20.503 -5.016 -11.369 1.00 1.73 O ATOM 140 CB ALA A 10 -17.868 -5.013 -12.313 1.00 2.09 C ATOM 0 H ALA A 10 -18.658 -3.373 -9.704 1.00 1.41 H new ATOM 0 HA ALA A 10 -18.290 -2.917 -12.432 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -18.294 -5.243 -13.290 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -16.793 -4.861 -12.412 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -18.055 -5.843 -11.631 1.00 2.09 H new ATOM 146 N PRO A 11 -20.795 -2.882 -11.981 1.00 1.24 N ATOM 147 CA PRO A 11 -22.247 -2.961 -12.030 1.00 1.52 C ATOM 148 C PRO A 11 -22.754 -3.265 -13.441 1.00 1.50 C ATOM 149 O PRO A 11 -23.692 -2.628 -13.929 1.00 1.83 O ATOM 150 CB PRO A 11 -22.655 -1.558 -11.592 1.00 1.87 C ATOM 151 CG PRO A 11 -21.568 -0.664 -12.106 1.00 1.88 C ATOM 152 CD PRO A 11 -20.324 -1.515 -12.262 1.00 1.45 C ATOM 0 HA PRO A 11 -22.658 -3.759 -11.411 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -23.624 -1.281 -12.007 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -22.742 -1.492 -10.507 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -21.853 -0.221 -13.060 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -21.387 0.159 -11.414 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -19.907 -1.434 -13.266 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.542 -1.211 -11.567 1.00 1.45 H new ATOM 160 N THR A 12 -22.138 -4.242 -14.088 1.00 1.33 N ATOM 161 CA THR A 12 -22.428 -4.536 -15.483 1.00 1.44 C ATOM 162 C THR A 12 -23.607 -5.495 -15.653 1.00 1.40 C ATOM 163 O THR A 12 -23.493 -6.692 -15.385 1.00 1.90 O ATOM 164 CB THR A 12 -21.191 -5.123 -16.181 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.011 -4.781 -15.439 1.00 1.79 O ATOM 166 CG2 THR A 12 -21.075 -4.595 -17.602 1.00 2.04 C ATOM 0 H THR A 12 -21.432 -4.847 -13.668 1.00 1.33 H new ATOM 0 HA THR A 12 -22.702 -3.588 -15.945 1.00 1.44 H new ATOM 0 HB THR A 12 -21.296 -6.207 -16.222 1.00 1.69 H new ATOM 0 HG1 THR A 12 -19.224 -5.158 -15.885 1.00 1.79 H new ATOM 0 HG21 THR A 12 -20.193 -5.023 -18.078 1.00 2.04 H new ATOM 0 HG22 THR A 12 -21.964 -4.874 -18.168 1.00 2.04 H new ATOM 0 HG23 THR A 12 -20.985 -3.509 -17.580 1.00 2.04 H new ATOM 174 N ASN A 13 -24.730 -4.929 -16.094 1.00 1.11 N ATOM 175 CA ASN A 13 -25.935 -5.681 -16.477 1.00 1.23 C ATOM 176 C ASN A 13 -26.260 -6.856 -15.547 1.00 1.03 C ATOM 177 O ASN A 13 -26.388 -7.993 -16.005 1.00 1.32 O ATOM 178 CB ASN A 13 -25.804 -6.186 -17.915 1.00 1.71 C ATOM 179 CG ASN A 13 -27.155 -6.366 -18.585 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.699 -5.431 -19.172 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.708 -7.566 -18.496 1.00 2.24 N ATOM 0 H ASN A 13 -24.835 -3.920 -16.199 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.765 -4.980 -16.389 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -25.205 -5.482 -18.492 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -25.270 -7.136 -17.917 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.618 -7.741 -18.923 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -27.224 -8.315 -18.000 1.00 2.24 H new ATOM 188 N ALA A 14 -26.379 -6.568 -14.251 1.00 1.04 N ATOM 189 CA ALA A 14 -26.873 -7.528 -13.250 1.00 1.05 C ATOM 190 C ALA A 14 -25.894 -8.673 -12.956 1.00 0.96 C ATOM 191 O ALA A 14 -25.582 -8.930 -11.797 1.00 0.91 O ATOM 192 CB ALA A 14 -28.228 -8.088 -13.663 1.00 1.42 C ATOM 0 H ALA A 14 -26.135 -5.659 -13.859 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.975 -6.964 -12.323 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.574 -8.795 -12.909 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.946 -7.273 -13.753 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -28.134 -8.597 -14.622 1.00 1.42 H new ATOM 198 N VAL A 15 -25.426 -9.360 -13.989 1.00 1.05 N ATOM 199 CA VAL A 15 -24.570 -10.533 -13.815 1.00 1.12 C ATOM 200 C VAL A 15 -23.263 -10.167 -13.123 1.00 0.97 C ATOM 201 O VAL A 15 -22.961 -10.672 -12.038 1.00 0.96 O ATOM 202 CB VAL A 15 -24.258 -11.215 -15.166 1.00 1.38 C ATOM 203 CG1 VAL A 15 -23.296 -12.381 -14.979 1.00 1.45 C ATOM 204 CG2 VAL A 15 -25.541 -11.689 -15.827 1.00 1.99 C ATOM 0 H VAL A 15 -25.624 -9.126 -14.962 1.00 1.05 H new ATOM 0 HA VAL A 15 -25.122 -11.232 -13.188 1.00 1.12 H new ATOM 0 HB VAL A 15 -23.779 -10.481 -15.814 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -23.093 -12.844 -15.945 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -22.363 -12.018 -14.547 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -23.742 -13.117 -14.311 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -25.305 -12.167 -16.778 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -26.043 -12.404 -15.176 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.196 -10.836 -16.003 1.00 1.99 H new ATOM 214 N GLU A 16 -22.496 -9.286 -13.749 1.00 0.95 N ATOM 215 CA GLU A 16 -21.224 -8.855 -13.194 1.00 0.94 C ATOM 216 C GLU A 16 -21.422 -8.152 -11.856 1.00 0.83 C ATOM 217 O GLU A 16 -20.565 -8.225 -10.979 1.00 0.86 O ATOM 218 CB GLU A 16 -20.503 -7.933 -14.177 1.00 1.06 C ATOM 219 CG GLU A 16 -19.511 -8.659 -15.070 1.00 1.37 C ATOM 220 CD GLU A 16 -20.132 -9.153 -16.364 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.342 -9.440 -16.376 1.00 1.93 O ATOM 222 OE2 GLU A 16 -19.401 -9.257 -17.374 1.00 1.53 O ATOM 0 H GLU A 16 -22.734 -8.856 -14.643 1.00 0.95 H new ATOM 0 HA GLU A 16 -20.610 -9.739 -13.024 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -21.242 -7.431 -14.801 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -19.978 -7.158 -13.618 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -18.682 -7.990 -15.303 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -19.093 -9.507 -14.527 1.00 1.37 H new ATOM 229 N SER A 17 -22.560 -7.484 -11.700 1.00 0.83 N ATOM 230 CA SER A 17 -22.896 -6.814 -10.451 1.00 0.89 C ATOM 231 C SER A 17 -23.099 -7.831 -9.326 1.00 0.85 C ATOM 232 O SER A 17 -22.667 -7.615 -8.189 1.00 0.88 O ATOM 233 CB SER A 17 -24.158 -5.968 -10.641 1.00 1.09 C ATOM 234 OG SER A 17 -24.396 -5.718 -12.020 1.00 1.48 O ATOM 0 H SER A 17 -23.268 -7.393 -12.428 1.00 0.83 H new ATOM 0 HA SER A 17 -22.069 -6.162 -10.170 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.015 -6.483 -10.207 1.00 1.09 H new ATOM 0 HB3 SER A 17 -24.051 -5.023 -10.109 1.00 1.09 H new ATOM 0 HG SER A 17 -25.208 -5.178 -12.119 1.00 1.48 H new ATOM 240 N LYS A 18 -23.745 -8.945 -9.661 1.00 0.85 N ATOM 241 CA LYS A 18 -24.011 -10.010 -8.703 1.00 0.92 C ATOM 242 C LYS A 18 -22.717 -10.696 -8.296 1.00 0.84 C ATOM 243 O LYS A 18 -22.505 -11.001 -7.123 1.00 0.85 O ATOM 244 CB LYS A 18 -24.978 -11.033 -9.303 1.00 1.07 C ATOM 245 CG LYS A 18 -26.136 -11.385 -8.386 1.00 1.38 C ATOM 246 CD LYS A 18 -27.377 -10.581 -8.729 1.00 1.76 C ATOM 247 CE LYS A 18 -28.174 -10.235 -7.483 1.00 2.42 C ATOM 248 NZ LYS A 18 -28.107 -8.785 -7.164 1.00 2.96 N ATOM 0 H LYS A 18 -24.097 -9.133 -10.600 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.467 -9.569 -7.816 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -25.374 -10.641 -10.240 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -24.428 -11.942 -9.545 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -26.356 -12.449 -8.467 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -25.853 -11.196 -7.351 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.088 -9.665 -9.244 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -28.003 -11.150 -9.417 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -29.214 -10.527 -7.625 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -27.794 -10.810 -6.638 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -28.607 -8.603 -6.271 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -27.112 -8.496 -7.069 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -28.555 -8.240 -7.929 1.00 2.96 H new ATOM 262 N LEU A 19 -21.851 -10.931 -9.271 1.00 0.82 N ATOM 263 CA LEU A 19 -20.547 -11.521 -9.004 1.00 0.84 C ATOM 264 C LEU A 19 -19.739 -10.608 -8.095 1.00 0.80 C ATOM 265 O LEU A 19 -19.117 -11.061 -7.139 1.00 0.82 O ATOM 266 CB LEU A 19 -19.787 -11.765 -10.308 1.00 0.96 C ATOM 267 CG LEU A 19 -20.526 -12.616 -11.340 1.00 1.16 C ATOM 268 CD1 LEU A 19 -19.862 -12.496 -12.700 1.00 1.73 C ATOM 269 CD2 LEU A 19 -20.578 -14.067 -10.896 1.00 1.81 C ATOM 0 H LEU A 19 -22.027 -10.722 -10.254 1.00 0.82 H new ATOM 0 HA LEU A 19 -20.697 -12.479 -8.507 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -19.550 -10.801 -10.758 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -18.839 -12.249 -10.073 1.00 0.96 H new ATOM 0 HG LEU A 19 -21.548 -12.247 -11.423 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -20.401 -13.108 -13.423 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -19.878 -11.455 -13.022 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -18.829 -12.839 -12.632 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -21.108 -14.657 -11.643 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -19.564 -14.450 -10.784 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -21.100 -14.137 -9.942 1.00 1.81 H new ATOM 281 N ALA A 20 -19.780 -9.321 -8.394 1.00 0.82 N ATOM 282 CA ALA A 20 -19.055 -8.325 -7.624 1.00 0.91 C ATOM 283 C ALA A 20 -19.438 -8.371 -6.150 1.00 0.84 C ATOM 284 O ALA A 20 -18.579 -8.541 -5.295 1.00 0.87 O ATOM 285 CB ALA A 20 -19.306 -6.941 -8.196 1.00 1.08 C ATOM 0 H ALA A 20 -20.314 -8.938 -9.174 1.00 0.82 H new ATOM 0 HA ALA A 20 -17.991 -8.552 -7.695 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.758 -6.201 -7.612 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.968 -6.909 -9.232 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -20.372 -6.718 -8.155 1.00 1.08 H new ATOM 291 N GLU A 21 -20.729 -8.255 -5.856 1.00 0.85 N ATOM 292 CA GLU A 21 -21.184 -8.189 -4.468 1.00 0.94 C ATOM 293 C GLU A 21 -20.892 -9.489 -3.714 1.00 0.84 C ATOM 294 O GLU A 21 -20.363 -9.464 -2.595 1.00 0.85 O ATOM 295 CB GLU A 21 -22.682 -7.863 -4.396 1.00 1.13 C ATOM 296 CG GLU A 21 -23.548 -8.723 -5.305 1.00 1.72 C ATOM 297 CD GLU A 21 -25.009 -8.322 -5.293 1.00 2.05 C ATOM 298 OE1 GLU A 21 -25.555 -8.077 -4.197 1.00 2.14 O ATOM 299 OE2 GLU A 21 -25.621 -8.253 -6.379 1.00 2.69 O ATOM 0 H GLU A 21 -21.474 -8.205 -6.551 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.626 -7.386 -3.986 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.021 -7.985 -3.367 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -22.828 -6.815 -4.658 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -23.169 -8.658 -6.325 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -23.462 -9.765 -4.998 1.00 1.72 H new ATOM 306 N ILE A 22 -21.215 -10.619 -4.330 1.00 0.83 N ATOM 307 CA ILE A 22 -21.071 -11.914 -3.677 1.00 0.91 C ATOM 308 C ILE A 22 -19.599 -12.262 -3.457 1.00 0.82 C ATOM 309 O ILE A 22 -19.200 -12.629 -2.352 1.00 0.86 O ATOM 310 CB ILE A 22 -21.786 -13.030 -4.488 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.222 -13.203 -3.987 1.00 1.25 C ATOM 312 CG2 ILE A 22 -21.042 -14.360 -4.405 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.237 -12.363 -4.732 1.00 1.91 C ATOM 0 H ILE A 22 -21.579 -10.665 -5.282 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.549 -11.846 -2.700 1.00 0.91 H new ATOM 0 HB ILE A 22 -21.797 -12.722 -5.534 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.502 -14.253 -4.072 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.260 -12.947 -2.928 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -21.576 -15.112 -4.986 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -20.035 -14.239 -4.805 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -20.983 -14.679 -3.365 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.230 -12.541 -4.319 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -23.984 -11.308 -4.627 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.229 -12.634 -5.788 1.00 1.91 H new ATOM 325 N TRP A 23 -18.788 -12.106 -4.492 1.00 0.79 N ATOM 326 CA TRP A 23 -17.381 -12.473 -4.408 1.00 0.84 C ATOM 327 C TRP A 23 -16.588 -11.425 -3.634 1.00 0.82 C ATOM 328 O TRP A 23 -15.454 -11.665 -3.224 1.00 0.94 O ATOM 329 CB TRP A 23 -16.796 -12.675 -5.806 1.00 0.90 C ATOM 330 CG TRP A 23 -17.307 -13.916 -6.478 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.367 -14.008 -7.334 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.789 -15.243 -6.344 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.540 -15.309 -7.738 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.583 -16.086 -7.146 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.734 -15.799 -5.623 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.346 -17.453 -7.251 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -15.500 -17.155 -5.727 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.305 -17.969 -6.534 1.00 1.24 C ATOM 0 H TRP A 23 -19.077 -11.730 -5.395 1.00 0.79 H new ATOM 0 HA TRP A 23 -17.307 -13.415 -3.865 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.035 -11.809 -6.423 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -15.709 -12.727 -5.736 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -18.981 -13.177 -7.648 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.264 -15.641 -8.375 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.111 -15.180 -4.994 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.962 -18.082 -7.876 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -14.682 -17.596 -5.177 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -16.098 -19.027 -6.590 1.00 1.24 H new ATOM 349 N GLU A 24 -17.185 -10.259 -3.425 1.00 0.80 N ATOM 350 CA GLU A 24 -16.559 -9.238 -2.602 1.00 0.93 C ATOM 351 C GLU A 24 -16.536 -9.681 -1.148 1.00 0.90 C ATOM 352 O GLU A 24 -15.491 -9.666 -0.512 1.00 1.04 O ATOM 353 CB GLU A 24 -17.290 -7.903 -2.723 1.00 1.20 C ATOM 354 CG GLU A 24 -16.479 -6.832 -3.432 1.00 1.75 C ATOM 355 CD GLU A 24 -15.498 -6.134 -2.511 1.00 2.29 C ATOM 356 OE1 GLU A 24 -15.936 -5.284 -1.705 1.00 2.78 O ATOM 357 OE2 GLU A 24 -14.287 -6.426 -2.591 1.00 2.65 O ATOM 0 H GLU A 24 -18.093 -10.000 -3.811 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.538 -9.101 -2.957 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -18.225 -8.057 -3.262 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -17.552 -7.549 -1.726 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -15.934 -7.284 -4.261 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.156 -6.094 -3.861 1.00 1.75 H new ATOM 364 N ARG A 25 -17.682 -10.115 -0.635 1.00 0.97 N ATOM 365 CA ARG A 25 -17.788 -10.452 0.784 1.00 1.16 C ATOM 366 C ARG A 25 -17.119 -11.788 1.105 1.00 1.21 C ATOM 367 O ARG A 25 -16.699 -12.018 2.238 1.00 1.50 O ATOM 368 CB ARG A 25 -19.251 -10.470 1.242 1.00 1.41 C ATOM 369 CG ARG A 25 -20.154 -11.369 0.413 1.00 1.99 C ATOM 370 CD ARG A 25 -21.473 -10.687 0.060 1.00 2.67 C ATOM 371 NE ARG A 25 -21.816 -9.610 0.989 1.00 3.12 N ATOM 372 CZ ARG A 25 -21.658 -8.311 0.722 1.00 3.67 C ATOM 373 NH1 ARG A 25 -21.163 -7.924 -0.450 1.00 3.90 N ATOM 374 NH2 ARG A 25 -21.987 -7.407 1.630 1.00 4.40 N ATOM 0 H ARG A 25 -18.541 -10.241 -1.170 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.260 -9.672 1.333 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.290 -10.795 2.282 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -19.642 -9.453 1.210 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -19.638 -11.655 -0.503 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.357 -12.287 0.965 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -21.410 -10.284 -0.951 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -22.272 -11.428 0.058 1.00 2.67 H new ATOM 0 HE ARG A 25 -22.200 -9.868 1.898 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -20.903 -8.620 -1.149 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -21.044 -6.931 -0.650 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -22.361 -7.703 2.532 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -21.867 -6.414 1.428 1.00 4.40 H new ATOM 388 N VAL A 26 -17.001 -12.665 0.113 1.00 1.11 N ATOM 389 CA VAL A 26 -16.429 -13.990 0.352 1.00 1.34 C ATOM 390 C VAL A 26 -15.118 -14.190 -0.407 1.00 1.36 C ATOM 391 O VAL A 26 -14.815 -15.300 -0.842 1.00 1.78 O ATOM 392 CB VAL A 26 -17.409 -15.130 -0.030 1.00 1.54 C ATOM 393 CG1 VAL A 26 -17.195 -16.344 0.862 1.00 2.01 C ATOM 394 CG2 VAL A 26 -18.854 -14.673 0.060 1.00 1.66 C ATOM 0 H VAL A 26 -17.288 -12.489 -0.850 1.00 1.11 H new ATOM 0 HA VAL A 26 -16.234 -14.037 1.423 1.00 1.34 H new ATOM 0 HB VAL A 26 -17.201 -15.406 -1.064 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -17.892 -17.132 0.577 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -16.173 -16.705 0.746 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -17.366 -16.066 1.902 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -19.514 -15.496 -0.214 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.073 -14.357 1.080 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -19.014 -13.837 -0.621 1.00 1.66 H new ATOM 404 N LEU A 27 -14.338 -13.120 -0.565 1.00 1.20 N ATOM 405 CA LEU A 27 -13.033 -13.226 -1.221 1.00 1.40 C ATOM 406 C LEU A 27 -12.237 -11.927 -1.116 1.00 1.42 C ATOM 407 O LEU A 27 -11.284 -11.836 -0.343 1.00 1.89 O ATOM 408 CB LEU A 27 -13.200 -13.616 -2.694 1.00 1.51 C ATOM 409 CG LEU A 27 -12.043 -14.424 -3.295 1.00 2.02 C ATOM 410 CD1 LEU A 27 -12.018 -15.841 -2.732 1.00 2.17 C ATOM 411 CD2 LEU A 27 -12.146 -14.447 -4.814 1.00 2.85 C ATOM 0 H LEU A 27 -14.582 -12.180 -0.252 1.00 1.20 H new ATOM 0 HA LEU A 27 -12.475 -14.006 -0.703 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.118 -14.195 -2.797 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.329 -12.707 -3.281 1.00 1.51 H new ATOM 0 HG LEU A 27 -11.107 -13.939 -3.020 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -11.189 -16.393 -3.174 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -11.892 -15.800 -1.650 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -12.956 -16.343 -2.969 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -11.318 -15.024 -5.226 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.090 -14.906 -5.108 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -12.104 -13.427 -5.197 1.00 2.85 H new ATOM 423 N GLY A 28 -12.643 -10.922 -1.883 1.00 1.29 N ATOM 424 CA GLY A 28 -11.859 -9.704 -1.997 1.00 1.52 C ATOM 425 C GLY A 28 -11.962 -8.792 -0.789 1.00 1.37 C ATOM 426 O GLY A 28 -10.963 -8.527 -0.117 1.00 1.73 O ATOM 0 H GLY A 28 -13.504 -10.928 -2.430 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -10.813 -9.970 -2.151 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.183 -9.156 -2.882 1.00 1.52 H new ATOM 430 N VAL A 29 -13.174 -8.306 -0.526 1.00 1.31 N ATOM 431 CA VAL A 29 -13.433 -7.341 0.549 1.00 1.31 C ATOM 432 C VAL A 29 -12.520 -6.122 0.416 1.00 1.43 C ATOM 433 O VAL A 29 -12.137 -5.504 1.409 1.00 1.90 O ATOM 434 CB VAL A 29 -13.268 -7.960 1.967 1.00 1.49 C ATOM 435 CG1 VAL A 29 -14.163 -7.241 2.968 1.00 1.78 C ATOM 436 CG2 VAL A 29 -13.581 -9.450 1.960 1.00 1.92 C ATOM 0 H VAL A 29 -14.008 -8.569 -1.052 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.474 -7.036 0.440 1.00 1.31 H new ATOM 0 HB VAL A 29 -12.228 -7.834 2.266 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -14.036 -7.686 3.955 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -13.891 -6.186 3.008 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -15.204 -7.336 2.659 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -13.456 -9.853 2.965 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.609 -9.604 1.632 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -12.902 -9.961 1.278 1.00 1.92 H new ATOM 446 N SER A 30 -12.183 -5.768 -0.819 1.00 1.40 N ATOM 447 CA SER A 30 -11.235 -4.689 -1.068 1.00 1.56 C ATOM 448 C SER A 30 -11.626 -3.873 -2.295 1.00 1.53 C ATOM 449 O SER A 30 -10.842 -3.057 -2.780 1.00 2.21 O ATOM 450 CB SER A 30 -9.824 -5.257 -1.258 1.00 1.76 C ATOM 451 OG SER A 30 -9.452 -6.100 -0.178 1.00 1.94 O ATOM 0 H SER A 30 -12.551 -6.211 -1.661 1.00 1.40 H new ATOM 0 HA SER A 30 -11.251 -4.030 -0.200 1.00 1.56 H new ATOM 0 HB2 SER A 30 -9.779 -5.819 -2.191 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.110 -4.438 -1.344 1.00 1.76 H new ATOM 0 HG SER A 30 -9.984 -6.922 -0.207 1.00 1.94 H new ATOM 457 N GLY A 31 -12.834 -4.089 -2.790 1.00 1.30 N ATOM 458 CA GLY A 31 -13.260 -3.423 -4.003 1.00 1.27 C ATOM 459 C GLY A 31 -12.633 -4.065 -5.219 1.00 1.21 C ATOM 460 O GLY A 31 -11.890 -3.426 -5.965 1.00 1.58 O ATOM 0 H GLY A 31 -13.527 -4.712 -2.375 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.346 -3.465 -4.084 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -12.984 -2.369 -3.960 1.00 1.27 H new ATOM 464 N ILE A 32 -12.924 -5.341 -5.406 1.00 1.13 N ATOM 465 CA ILE A 32 -12.318 -6.114 -6.474 1.00 1.29 C ATOM 466 C ILE A 32 -13.011 -5.860 -7.813 1.00 1.38 C ATOM 467 O ILE A 32 -13.868 -6.630 -8.249 1.00 2.01 O ATOM 468 CB ILE A 32 -12.329 -7.622 -6.145 1.00 1.71 C ATOM 469 CG1 ILE A 32 -13.673 -8.037 -5.532 1.00 2.68 C ATOM 470 CG2 ILE A 32 -11.183 -7.954 -5.196 1.00 2.03 C ATOM 471 CD1 ILE A 32 -13.905 -9.532 -5.535 1.00 3.56 C ATOM 0 H ILE A 32 -13.580 -5.865 -4.828 1.00 1.13 H new ATOM 0 HA ILE A 32 -11.282 -5.786 -6.561 1.00 1.29 H new ATOM 0 HB ILE A 32 -12.195 -8.181 -7.071 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -13.723 -7.672 -4.506 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -14.479 -7.552 -6.082 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -11.197 -9.020 -4.968 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -10.234 -7.696 -5.667 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -11.297 -7.384 -4.274 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -14.874 -9.751 -5.087 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -13.888 -9.901 -6.561 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -13.120 -10.023 -4.960 1.00 3.56 H new ATOM 483 N GLY A 33 -12.637 -4.761 -8.455 1.00 1.59 N ATOM 484 CA GLY A 33 -13.179 -4.441 -9.761 1.00 1.93 C ATOM 485 C GLY A 33 -12.612 -5.330 -10.848 1.00 1.81 C ATOM 486 O GLY A 33 -11.508 -5.862 -10.708 1.00 2.28 O ATOM 0 H GLY A 33 -11.966 -4.084 -8.093 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -14.264 -4.545 -9.738 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -12.963 -3.399 -9.997 1.00 1.93 H new ATOM 490 N ILE A 34 -13.350 -5.484 -11.940 1.00 1.73 N ATOM 491 CA ILE A 34 -12.933 -6.370 -13.023 1.00 1.78 C ATOM 492 C ILE A 34 -11.888 -5.702 -13.924 1.00 1.93 C ATOM 493 O ILE A 34 -12.067 -5.568 -15.137 1.00 2.58 O ATOM 494 CB ILE A 34 -14.134 -6.855 -13.869 1.00 1.94 C ATOM 495 CG1 ILE A 34 -15.343 -7.151 -12.972 1.00 2.07 C ATOM 496 CG2 ILE A 34 -13.759 -8.096 -14.669 1.00 2.43 C ATOM 497 CD1 ILE A 34 -15.143 -8.327 -12.031 1.00 2.67 C ATOM 0 H ILE A 34 -14.238 -5.009 -12.101 1.00 1.73 H new ATOM 0 HA ILE A 34 -12.478 -7.242 -12.553 1.00 1.78 H new ATOM 0 HB ILE A 34 -14.403 -6.059 -14.564 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -15.571 -6.263 -12.383 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -16.210 -7.347 -13.602 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -14.616 -8.422 -15.258 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -12.929 -7.862 -15.336 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -13.463 -8.893 -13.987 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -16.042 -8.471 -11.432 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -14.946 -9.228 -12.612 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -14.297 -8.127 -11.373 1.00 2.67 H new ATOM 509 N LEU A 35 -10.804 -5.269 -13.303 1.00 1.70 N ATOM 510 CA LEU A 35 -9.638 -4.775 -14.021 1.00 1.89 C ATOM 511 C LEU A 35 -8.453 -5.672 -13.698 1.00 1.85 C ATOM 512 O LEU A 35 -7.675 -6.047 -14.575 1.00 2.19 O ATOM 513 CB LEU A 35 -9.324 -3.322 -13.641 1.00 2.03 C ATOM 514 CG LEU A 35 -9.911 -2.837 -12.312 1.00 1.96 C ATOM 515 CD1 LEU A 35 -8.898 -2.990 -11.186 1.00 2.44 C ATOM 516 CD2 LEU A 35 -10.355 -1.388 -12.436 1.00 2.46 C ATOM 0 H LEU A 35 -10.706 -5.249 -12.288 1.00 1.70 H new ATOM 0 HA LEU A 35 -9.843 -4.795 -15.091 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -8.241 -3.202 -13.603 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -9.689 -2.672 -14.436 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.779 -3.451 -12.072 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.337 -2.639 -10.252 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -8.621 -4.040 -11.086 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.010 -2.401 -11.413 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -10.771 -1.052 -11.486 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -9.499 -0.766 -12.697 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -11.114 -1.305 -13.214 1.00 2.46 H new ATOM 528 N ASP A 36 -8.350 -6.028 -12.426 1.00 1.95 N ATOM 529 CA ASP A 36 -7.354 -6.972 -11.944 1.00 2.14 C ATOM 530 C ASP A 36 -7.854 -7.582 -10.649 1.00 1.49 C ATOM 531 O ASP A 36 -8.260 -6.856 -9.744 1.00 1.80 O ATOM 532 CB ASP A 36 -6.005 -6.288 -11.712 1.00 3.20 C ATOM 533 CG ASP A 36 -4.872 -7.288 -11.587 1.00 3.75 C ATOM 534 OD1 ASP A 36 -4.420 -7.812 -12.628 1.00 4.20 O ATOM 535 OD2 ASP A 36 -4.410 -7.547 -10.456 1.00 4.01 O ATOM 0 H ASP A 36 -8.961 -5.666 -11.694 1.00 1.95 H new ATOM 0 HA ASP A 36 -7.206 -7.746 -12.697 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -5.798 -5.607 -12.538 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -6.056 -5.684 -10.806 1.00 3.20 H new ATOM 540 N ASN A 37 -7.858 -8.905 -10.574 1.00 1.38 N ATOM 541 CA ASN A 37 -8.373 -9.607 -9.403 1.00 1.74 C ATOM 542 C ASN A 37 -8.096 -11.098 -9.530 1.00 1.40 C ATOM 543 O ASN A 37 -8.088 -11.638 -10.632 1.00 1.90 O ATOM 544 CB ASN A 37 -9.883 -9.357 -9.258 1.00 2.65 C ATOM 545 CG ASN A 37 -10.496 -10.040 -8.050 1.00 3.55 C ATOM 546 OD1 ASN A 37 -9.820 -10.317 -7.061 1.00 4.12 O ATOM 547 ND2 ASN A 37 -11.789 -10.315 -8.126 1.00 4.13 N ATOM 0 H ASN A 37 -7.510 -9.517 -11.312 1.00 1.38 H new ATOM 0 HA ASN A 37 -7.870 -9.229 -8.513 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -10.060 -8.284 -9.188 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -10.389 -9.706 -10.158 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -12.260 -10.773 -7.346 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -12.314 -10.069 -8.965 1.00 4.13 H new ATOM 554 N PHE A 38 -7.906 -11.763 -8.397 1.00 1.23 N ATOM 555 CA PHE A 38 -7.565 -13.184 -8.364 1.00 1.41 C ATOM 556 C PHE A 38 -8.797 -14.056 -8.602 1.00 1.51 C ATOM 557 O PHE A 38 -8.878 -15.182 -8.117 1.00 2.27 O ATOM 558 CB PHE A 38 -6.929 -13.543 -7.012 1.00 1.89 C ATOM 559 CG PHE A 38 -7.415 -12.697 -5.866 1.00 1.43 C ATOM 560 CD1 PHE A 38 -8.613 -12.987 -5.231 1.00 1.78 C ATOM 561 CD2 PHE A 38 -6.676 -11.609 -5.428 1.00 1.62 C ATOM 562 CE1 PHE A 38 -9.063 -12.209 -4.180 1.00 1.88 C ATOM 563 CE2 PHE A 38 -7.120 -10.828 -4.378 1.00 2.03 C ATOM 564 CZ PHE A 38 -8.314 -11.128 -3.754 1.00 1.97 C ATOM 0 H PHE A 38 -7.983 -11.335 -7.475 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.851 -13.376 -9.165 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -7.136 -14.590 -6.791 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -5.847 -13.442 -7.092 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -9.202 -13.830 -5.561 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -5.742 -11.369 -5.913 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -9.998 -12.445 -3.693 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -6.534 -9.984 -4.046 1.00 2.03 H new ATOM 0 HZ PHE A 38 -8.663 -10.519 -2.933 1.00 1.97 H new ATOM 574 N PHE A 39 -9.751 -13.530 -9.351 1.00 1.24 N ATOM 575 CA PHE A 39 -10.975 -14.252 -9.647 1.00 1.51 C ATOM 576 C PHE A 39 -11.087 -14.504 -11.149 1.00 1.25 C ATOM 577 O PHE A 39 -10.975 -15.640 -11.609 1.00 1.22 O ATOM 578 CB PHE A 39 -12.185 -13.456 -9.134 1.00 2.01 C ATOM 579 CG PHE A 39 -13.518 -13.993 -9.582 1.00 1.77 C ATOM 580 CD1 PHE A 39 -13.941 -15.250 -9.186 1.00 1.63 C ATOM 581 CD2 PHE A 39 -14.343 -13.238 -10.402 1.00 1.94 C ATOM 582 CE1 PHE A 39 -15.163 -15.743 -9.599 1.00 1.63 C ATOM 583 CE2 PHE A 39 -15.567 -13.727 -10.818 1.00 1.93 C ATOM 584 CZ PHE A 39 -15.977 -14.982 -10.416 1.00 1.75 C ATOM 0 H PHE A 39 -9.700 -12.600 -9.767 1.00 1.24 H new ATOM 0 HA PHE A 39 -10.955 -15.217 -9.141 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -12.160 -13.443 -8.044 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.093 -12.422 -9.468 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -13.310 -15.851 -8.548 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.025 -12.256 -10.719 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -15.483 -16.725 -9.283 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -16.201 -13.129 -11.456 1.00 1.93 H new ATOM 0 HZ PHE A 39 -16.932 -15.369 -10.739 1.00 1.75 H new ATOM 594 N GLN A 40 -11.256 -13.428 -11.907 1.00 1.25 N ATOM 595 CA GLN A 40 -11.463 -13.518 -13.348 1.00 1.25 C ATOM 596 C GLN A 40 -10.149 -13.729 -14.104 1.00 1.28 C ATOM 597 O GLN A 40 -10.095 -13.580 -15.322 1.00 1.93 O ATOM 598 CB GLN A 40 -12.168 -12.251 -13.852 1.00 1.46 C ATOM 599 CG GLN A 40 -11.288 -11.007 -13.834 1.00 1.85 C ATOM 600 CD GLN A 40 -11.337 -10.254 -12.513 1.00 1.75 C ATOM 601 OE1 GLN A 40 -11.932 -10.714 -11.537 1.00 2.39 O ATOM 602 NE2 GLN A 40 -10.687 -9.102 -12.466 1.00 1.80 N ATOM 0 H GLN A 40 -11.254 -12.475 -11.544 1.00 1.25 H new ATOM 0 HA GLN A 40 -12.091 -14.388 -13.540 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -12.518 -12.422 -14.870 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -13.050 -12.069 -13.238 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -10.258 -11.296 -14.041 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -11.599 -10.339 -14.637 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -10.206 -8.754 -13.295 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -10.667 -8.563 -11.601 1.00 1.80 H new ATOM 611 N ILE A 41 -9.089 -14.065 -13.380 1.00 1.12 N ATOM 612 CA ILE A 41 -7.817 -14.395 -14.011 1.00 1.27 C ATOM 613 C ILE A 41 -7.562 -15.895 -13.927 1.00 1.35 C ATOM 614 O ILE A 41 -6.482 -16.377 -14.271 1.00 1.77 O ATOM 615 CB ILE A 41 -6.630 -13.642 -13.369 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.514 -13.985 -11.880 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.782 -12.140 -13.568 1.00 2.27 C ATOM 618 CD1 ILE A 41 -5.131 -13.755 -11.312 1.00 3.23 C ATOM 0 H ILE A 41 -9.084 -14.116 -12.361 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.890 -14.083 -15.053 1.00 1.27 H new ATOM 0 HB ILE A 41 -5.712 -13.961 -13.862 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -7.232 -13.385 -11.320 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -6.789 -15.030 -11.734 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.938 -11.625 -13.110 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.809 -11.915 -14.634 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -7.708 -11.803 -13.103 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -5.124 -14.019 -10.254 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -4.411 -14.375 -11.846 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -4.861 -12.705 -11.426 1.00 3.23 H new ATOM 630 N GLY A 42 -8.567 -16.626 -13.461 1.00 1.60 N ATOM 631 CA GLY A 42 -8.437 -18.062 -13.319 1.00 1.96 C ATOM 632 C GLY A 42 -7.882 -18.451 -11.964 1.00 1.64 C ATOM 633 O GLY A 42 -7.162 -19.444 -11.840 1.00 2.06 O ATOM 0 H GLY A 42 -9.471 -16.248 -13.179 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -9.411 -18.530 -13.459 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -7.783 -18.446 -14.102 1.00 1.96 H new ATOM 637 N GLY A 43 -8.220 -17.667 -10.945 1.00 1.60 N ATOM 638 CA GLY A 43 -7.744 -17.947 -9.604 1.00 1.92 C ATOM 639 C GLY A 43 -8.527 -19.062 -8.946 1.00 1.62 C ATOM 640 O GLY A 43 -9.705 -19.264 -9.247 1.00 2.17 O ATOM 0 H GLY A 43 -8.815 -16.843 -11.025 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -6.689 -18.219 -9.643 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -7.818 -17.045 -8.997 1.00 1.92 H new ATOM 644 N HIS A 44 -7.877 -19.789 -8.049 1.00 1.25 N ATOM 645 CA HIS A 44 -8.510 -20.916 -7.377 1.00 1.22 C ATOM 646 C HIS A 44 -9.303 -20.452 -6.161 1.00 1.13 C ATOM 647 O HIS A 44 -8.882 -20.638 -5.019 1.00 1.36 O ATOM 648 CB HIS A 44 -7.460 -21.948 -6.961 1.00 1.54 C ATOM 649 CG HIS A 44 -7.538 -23.225 -7.740 1.00 1.39 C ATOM 650 ND1 HIS A 44 -6.434 -23.993 -8.036 1.00 1.94 N ATOM 651 CD2 HIS A 44 -8.597 -23.868 -8.287 1.00 1.92 C ATOM 652 CE1 HIS A 44 -6.809 -25.049 -8.735 1.00 2.26 C ATOM 653 NE2 HIS A 44 -8.119 -24.998 -8.902 1.00 2.26 N ATOM 0 H HIS A 44 -6.911 -19.619 -7.769 1.00 1.25 H new ATOM 0 HA HIS A 44 -9.202 -21.381 -8.079 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -6.467 -21.515 -7.086 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -7.580 -22.170 -5.901 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -9.628 -23.550 -8.247 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -6.155 -25.824 -9.107 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -8.682 -25.685 -9.405 1.00 2.26 H new ATOM 662 N SER A 45 -10.437 -19.828 -6.416 1.00 1.01 N ATOM 663 CA SER A 45 -11.327 -19.397 -5.353 1.00 1.10 C ATOM 664 C SER A 45 -12.094 -20.590 -4.786 1.00 1.13 C ATOM 665 O SER A 45 -12.745 -21.327 -5.528 1.00 1.31 O ATOM 666 CB SER A 45 -12.291 -18.344 -5.892 1.00 1.19 C ATOM 667 OG SER A 45 -11.732 -17.682 -7.019 1.00 1.19 O ATOM 0 H SER A 45 -10.766 -19.607 -7.356 1.00 1.01 H new ATOM 0 HA SER A 45 -10.739 -18.959 -4.547 1.00 1.10 H new ATOM 0 HB2 SER A 45 -13.233 -18.815 -6.171 1.00 1.19 H new ATOM 0 HB3 SER A 45 -12.517 -17.617 -5.112 1.00 1.19 H new ATOM 0 HG SER A 45 -12.190 -16.827 -7.157 1.00 1.19 H new ATOM 673 N LEU A 46 -12.004 -20.778 -3.471 1.00 1.21 N ATOM 674 CA LEU A 46 -12.634 -21.914 -2.805 1.00 1.32 C ATOM 675 C LEU A 46 -14.152 -21.753 -2.711 1.00 1.35 C ATOM 676 O LEU A 46 -14.701 -21.514 -1.630 1.00 1.77 O ATOM 677 CB LEU A 46 -12.039 -22.101 -1.407 1.00 1.50 C ATOM 678 CG LEU A 46 -11.955 -23.552 -0.933 1.00 1.83 C ATOM 679 CD1 LEU A 46 -11.100 -24.376 -1.887 1.00 2.37 C ATOM 680 CD2 LEU A 46 -11.394 -23.619 0.479 1.00 2.35 C ATOM 0 H LEU A 46 -11.498 -20.154 -2.843 1.00 1.21 H new ATOM 0 HA LEU A 46 -12.434 -22.800 -3.408 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -11.038 -21.671 -1.394 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -12.639 -21.535 -0.694 1.00 1.50 H new ATOM 0 HG LEU A 46 -12.961 -23.971 -0.924 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -11.051 -25.406 -1.534 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -11.542 -24.354 -2.883 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -10.094 -23.958 -1.927 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -11.341 -24.659 0.801 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -10.395 -23.183 0.495 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -12.043 -23.063 1.155 1.00 2.35 H new ATOM 692 N LYS A 47 -14.819 -21.883 -3.847 1.00 1.23 N ATOM 693 CA LYS A 47 -16.274 -21.838 -3.910 1.00 1.28 C ATOM 694 C LYS A 47 -16.766 -22.791 -4.994 1.00 1.27 C ATOM 695 O LYS A 47 -16.056 -23.042 -5.969 1.00 1.27 O ATOM 696 CB LYS A 47 -16.761 -20.415 -4.204 1.00 1.30 C ATOM 697 CG LYS A 47 -16.841 -19.522 -2.973 1.00 1.49 C ATOM 698 CD LYS A 47 -18.276 -19.337 -2.507 1.00 1.72 C ATOM 699 CE LYS A 47 -18.497 -19.948 -1.133 1.00 1.61 C ATOM 700 NZ LYS A 47 -19.889 -19.746 -0.656 1.00 2.27 N ATOM 0 H LYS A 47 -14.369 -22.023 -4.752 1.00 1.23 H new ATOM 0 HA LYS A 47 -16.676 -22.144 -2.944 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -16.091 -19.955 -4.931 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -17.746 -20.467 -4.667 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -16.250 -19.958 -2.168 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -16.403 -18.550 -3.199 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -18.516 -18.274 -2.477 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -18.955 -19.797 -3.225 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -18.277 -21.015 -1.170 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.801 -19.504 -0.422 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -20.000 -20.177 0.284 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -20.091 -18.728 -0.596 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -20.552 -20.192 -1.321 1.00 2.27 H new ATOM 714 N ALA A 48 -17.981 -23.302 -4.831 1.00 1.33 N ATOM 715 CA ALA A 48 -18.531 -24.291 -5.754 1.00 1.38 C ATOM 716 C ALA A 48 -18.659 -23.728 -7.167 1.00 1.18 C ATOM 717 O ALA A 48 -18.503 -24.453 -8.150 1.00 1.05 O ATOM 718 CB ALA A 48 -19.882 -24.784 -5.256 1.00 1.64 C ATOM 0 H ALA A 48 -18.606 -23.048 -4.066 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.838 -25.132 -5.793 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -20.280 -25.521 -5.954 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -19.763 -25.242 -4.274 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -20.572 -23.943 -5.183 1.00 1.64 H new ATOM 724 N MET A 49 -18.931 -22.431 -7.262 1.00 1.20 N ATOM 725 CA MET A 49 -19.079 -21.770 -8.557 1.00 1.09 C ATOM 726 C MET A 49 -17.783 -21.850 -9.364 1.00 0.94 C ATOM 727 O MET A 49 -17.808 -21.993 -10.587 1.00 0.85 O ATOM 728 CB MET A 49 -19.488 -20.306 -8.371 1.00 1.22 C ATOM 729 CG MET A 49 -19.705 -19.560 -9.680 1.00 1.35 C ATOM 730 SD MET A 49 -20.451 -17.937 -9.444 1.00 1.95 S ATOM 731 CE MET A 49 -21.214 -17.689 -11.045 1.00 2.58 C ATOM 0 H MET A 49 -19.054 -21.815 -6.458 1.00 1.20 H new ATOM 0 HA MET A 49 -19.863 -22.289 -9.109 1.00 1.09 H new ATOM 0 HB2 MET A 49 -20.406 -20.266 -7.784 1.00 1.22 H new ATOM 0 HB3 MET A 49 -18.718 -19.793 -7.794 1.00 1.22 H new ATOM 0 HG2 MET A 49 -18.749 -19.444 -10.190 1.00 1.35 H new ATOM 0 HG3 MET A 49 -20.343 -20.157 -10.331 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.822 -16.785 -11.022 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.440 -17.586 -11.805 1.00 2.58 H new ATOM 0 HE3 MET A 49 -21.845 -18.545 -11.284 1.00 2.58 H new ATOM 741 N ALA A 50 -16.654 -21.774 -8.669 1.00 0.96 N ATOM 742 CA ALA A 50 -15.352 -21.831 -9.324 1.00 0.90 C ATOM 743 C ALA A 50 -15.055 -23.247 -9.801 1.00 0.84 C ATOM 744 O ALA A 50 -14.467 -23.447 -10.864 1.00 0.80 O ATOM 745 CB ALA A 50 -14.261 -21.340 -8.384 1.00 1.06 C ATOM 0 H ALA A 50 -16.613 -21.673 -7.655 1.00 0.96 H new ATOM 0 HA ALA A 50 -15.374 -21.175 -10.194 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -13.296 -21.389 -8.889 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -14.467 -20.309 -8.095 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -14.237 -21.969 -7.494 1.00 1.06 H new ATOM 751 N VAL A 51 -15.478 -24.227 -9.011 1.00 0.90 N ATOM 752 CA VAL A 51 -15.303 -25.628 -9.371 1.00 0.92 C ATOM 753 C VAL A 51 -16.147 -25.971 -10.594 1.00 0.84 C ATOM 754 O VAL A 51 -15.682 -26.653 -11.506 1.00 0.85 O ATOM 755 CB VAL A 51 -15.683 -26.568 -8.206 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.238 -27.992 -8.500 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.078 -26.075 -6.899 1.00 1.46 C ATOM 0 H VAL A 51 -15.945 -24.077 -8.117 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.247 -25.775 -9.600 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.768 -26.563 -8.103 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.515 -28.639 -7.667 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.723 -28.344 -9.410 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.156 -28.015 -8.633 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.358 -26.751 -6.091 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -13.992 -26.046 -6.989 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.451 -25.074 -6.680 1.00 1.46 H new ATOM 767 N ALA A 52 -17.379 -25.475 -10.612 1.00 0.84 N ATOM 768 CA ALA A 52 -18.278 -25.690 -11.740 1.00 0.85 C ATOM 769 C ALA A 52 -17.689 -25.111 -13.021 1.00 0.77 C ATOM 770 O ALA A 52 -17.753 -25.729 -14.084 1.00 0.83 O ATOM 771 CB ALA A 52 -19.640 -25.078 -11.459 1.00 0.97 C ATOM 0 H ALA A 52 -17.779 -24.920 -9.856 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.401 -26.764 -11.876 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.298 -25.248 -12.311 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -20.070 -25.540 -10.571 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.530 -24.006 -11.293 1.00 0.97 H new ATOM 777 N ALA A 53 -17.100 -23.924 -12.913 1.00 0.72 N ATOM 778 CA ALA A 53 -16.465 -23.275 -14.053 1.00 0.74 C ATOM 779 C ALA A 53 -15.274 -24.086 -14.543 1.00 0.73 C ATOM 780 O ALA A 53 -15.026 -24.181 -15.746 1.00 0.93 O ATOM 781 CB ALA A 53 -16.030 -21.869 -13.683 1.00 0.82 C ATOM 0 H ALA A 53 -17.050 -23.391 -12.045 1.00 0.72 H new ATOM 0 HA ALA A 53 -17.193 -23.216 -14.862 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -15.557 -21.396 -14.544 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.900 -21.286 -13.381 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -15.319 -21.913 -12.858 1.00 0.82 H new ATOM 787 N GLN A 54 -14.556 -24.684 -13.600 1.00 0.71 N ATOM 788 CA GLN A 54 -13.395 -25.510 -13.912 1.00 0.83 C ATOM 789 C GLN A 54 -13.814 -26.825 -14.571 1.00 0.88 C ATOM 790 O GLN A 54 -12.976 -27.570 -15.080 1.00 1.07 O ATOM 791 CB GLN A 54 -12.608 -25.799 -12.633 1.00 0.99 C ATOM 792 CG GLN A 54 -11.141 -25.414 -12.710 1.00 1.27 C ATOM 793 CD GLN A 54 -10.249 -26.387 -11.963 1.00 1.30 C ATOM 794 OE1 GLN A 54 -9.605 -26.031 -10.973 1.00 1.76 O ATOM 795 NE2 GLN A 54 -10.207 -27.621 -12.434 1.00 1.86 N ATOM 0 H GLN A 54 -14.760 -24.611 -12.603 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.766 -24.963 -14.614 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -13.071 -25.262 -11.805 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.683 -26.862 -12.405 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -10.833 -25.372 -13.755 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.008 -24.414 -12.298 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -10.756 -27.872 -13.256 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -9.625 -28.322 -11.976 1.00 1.86 H new ATOM 804 N VAL A 55 -15.111 -27.107 -14.548 1.00 0.88 N ATOM 805 CA VAL A 55 -15.649 -28.322 -15.144 1.00 0.98 C ATOM 806 C VAL A 55 -16.336 -28.017 -16.479 1.00 0.96 C ATOM 807 O VAL A 55 -16.442 -28.885 -17.347 1.00 1.10 O ATOM 808 CB VAL A 55 -16.656 -29.005 -14.180 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.392 -30.156 -14.851 1.00 1.82 C ATOM 810 CG2 VAL A 55 -15.946 -29.491 -12.925 1.00 1.36 C ATOM 0 H VAL A 55 -15.814 -26.505 -14.119 1.00 0.88 H new ATOM 0 HA VAL A 55 -14.816 -29.001 -15.326 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.399 -28.258 -13.901 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -18.087 -30.606 -14.142 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -17.945 -29.781 -15.713 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -16.672 -30.906 -15.180 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -16.667 -29.967 -12.260 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.175 -30.211 -13.199 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -15.487 -28.644 -12.415 1.00 1.36 H new ATOM 820 N HIS A 56 -16.755 -26.763 -16.651 1.00 0.95 N ATOM 821 CA HIS A 56 -17.577 -26.358 -17.798 1.00 1.02 C ATOM 822 C HIS A 56 -16.777 -26.263 -19.102 1.00 0.97 C ATOM 823 O HIS A 56 -16.793 -25.233 -19.778 1.00 1.30 O ATOM 824 CB HIS A 56 -18.255 -25.015 -17.518 1.00 1.22 C ATOM 825 CG HIS A 56 -19.708 -24.999 -17.878 1.00 1.39 C ATOM 826 ND1 HIS A 56 -20.749 -25.694 -17.367 1.00 1.92 N flip ATOM 827 CD2 HIS A 56 -20.233 -24.204 -18.873 1.00 1.81 C flip ATOM 828 CE1 HIS A 56 -21.873 -25.310 -18.054 1.00 1.97 C flip ATOM 829 NE2 HIS A 56 -21.533 -24.413 -18.954 1.00 1.97 N flip ATOM 0 H HIS A 56 -16.538 -26.003 -16.006 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.327 -27.137 -17.931 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -18.147 -24.775 -16.460 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.741 -24.233 -18.076 1.00 1.22 H new ATOM 0 HD1 HIS A 56 -20.707 -26.377 -16.611 1.00 1.92 H new ATOM 0 HD2 HIS A 56 -19.670 -23.519 -19.489 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -22.872 -25.683 -17.884 1.00 1.97 H new ATOM 838 N ARG A 57 -16.108 -27.350 -19.453 1.00 0.98 N ATOM 839 CA ARG A 57 -15.378 -27.467 -20.711 1.00 1.19 C ATOM 840 C ARG A 57 -14.796 -28.868 -20.822 1.00 1.33 C ATOM 841 O ARG A 57 -15.262 -29.680 -21.618 1.00 2.17 O ATOM 842 CB ARG A 57 -14.256 -26.425 -20.819 1.00 1.33 C ATOM 843 CG ARG A 57 -13.535 -26.437 -22.161 1.00 1.79 C ATOM 844 CD ARG A 57 -13.749 -25.138 -22.923 1.00 1.88 C ATOM 845 NE ARG A 57 -12.679 -24.879 -23.889 1.00 2.28 N ATOM 846 CZ ARG A 57 -12.858 -24.842 -25.212 1.00 2.79 C ATOM 847 NH1 ARG A 57 -14.053 -25.089 -25.733 1.00 3.10 N ATOM 848 NH2 ARG A 57 -11.838 -24.559 -26.013 1.00 3.57 N ATOM 0 H ARG A 57 -16.054 -28.185 -18.869 1.00 0.98 H new ATOM 0 HA ARG A 57 -16.075 -27.283 -21.528 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -14.676 -25.433 -20.651 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -13.530 -26.602 -20.025 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -12.468 -26.594 -22.000 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -13.894 -27.274 -22.760 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -14.705 -25.179 -23.445 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -13.806 -24.310 -22.217 1.00 1.88 H new ATOM 0 HE ARG A 57 -11.739 -24.717 -23.529 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -14.840 -25.308 -25.122 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -14.185 -25.059 -26.744 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -10.917 -24.370 -25.618 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -11.975 -24.531 -27.023 1.00 3.57 H new ATOM 862 N GLU A 58 -13.790 -29.148 -19.999 1.00 1.21 N ATOM 863 CA GLU A 58 -13.141 -30.454 -19.998 1.00 1.40 C ATOM 864 C GLU A 58 -12.185 -30.577 -18.819 1.00 1.22 C ATOM 865 O GLU A 58 -11.089 -31.125 -18.953 1.00 1.68 O ATOM 866 CB GLU A 58 -12.381 -30.669 -21.307 1.00 1.88 C ATOM 867 CG GLU A 58 -12.800 -31.923 -22.056 1.00 2.68 C ATOM 868 CD GLU A 58 -12.072 -32.086 -23.372 1.00 3.16 C ATOM 869 OE1 GLU A 58 -11.454 -31.109 -23.846 1.00 3.53 O ATOM 870 OE2 GLU A 58 -12.109 -33.197 -23.937 1.00 3.64 O ATOM 0 H GLU A 58 -13.406 -28.487 -19.324 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.912 -31.219 -19.904 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -12.533 -29.803 -21.952 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.314 -30.724 -21.093 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -12.611 -32.795 -21.430 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -13.874 -31.890 -22.241 1.00 2.68 H new ATOM 877 N TYR A 59 -12.612 -30.065 -17.665 1.00 1.26 N ATOM 878 CA TYR A 59 -11.793 -30.074 -16.453 1.00 1.40 C ATOM 879 C TYR A 59 -10.486 -29.322 -16.682 1.00 1.33 C ATOM 880 O TYR A 59 -9.429 -29.925 -16.891 1.00 1.82 O ATOM 881 CB TYR A 59 -11.513 -31.508 -15.987 1.00 1.93 C ATOM 882 CG TYR A 59 -12.761 -32.346 -15.831 1.00 2.42 C ATOM 883 CD1 TYR A 59 -13.751 -31.991 -14.923 1.00 2.98 C ATOM 884 CD2 TYR A 59 -12.954 -33.487 -16.598 1.00 2.85 C ATOM 885 CE1 TYR A 59 -14.896 -32.751 -14.785 1.00 3.65 C ATOM 886 CE2 TYR A 59 -14.097 -34.249 -16.466 1.00 3.50 C ATOM 887 CZ TYR A 59 -15.064 -33.878 -15.559 1.00 3.80 C ATOM 888 OH TYR A 59 -16.204 -34.639 -15.423 1.00 4.58 O ATOM 0 H TYR A 59 -13.529 -29.635 -17.544 1.00 1.26 H new ATOM 0 HA TYR A 59 -12.352 -29.566 -15.667 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -10.848 -31.991 -16.703 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -10.985 -31.475 -15.034 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -13.623 -31.107 -14.316 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -12.197 -33.783 -17.310 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -15.656 -32.463 -14.074 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -14.232 -35.133 -17.072 1.00 3.50 H new ATOM 0 HH TYR A 59 -16.167 -35.398 -16.042 1.00 4.58 H new ATOM 898 N GLN A 60 -10.572 -28.001 -16.636 1.00 1.24 N ATOM 899 CA GLN A 60 -9.431 -27.137 -16.905 1.00 1.28 C ATOM 900 C GLN A 60 -8.497 -27.079 -15.700 1.00 1.38 C ATOM 901 O GLN A 60 -8.490 -26.105 -14.946 1.00 1.94 O ATOM 902 CB GLN A 60 -9.907 -25.730 -17.270 1.00 1.68 C ATOM 903 CG GLN A 60 -10.916 -25.705 -18.409 1.00 1.83 C ATOM 904 CD GLN A 60 -12.351 -25.768 -17.918 1.00 2.07 C ATOM 905 OE1 GLN A 60 -13.007 -26.808 -18.009 1.00 2.80 O ATOM 906 NE2 GLN A 60 -12.842 -24.658 -17.394 1.00 2.27 N ATOM 0 H GLN A 60 -11.431 -27.499 -16.412 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.879 -27.554 -17.747 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -10.353 -25.267 -16.390 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -9.044 -25.124 -17.546 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -10.776 -24.796 -18.994 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -10.727 -26.546 -19.076 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -12.263 -23.820 -17.339 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -13.800 -24.639 -17.045 1.00 2.27 H new ATOM 915 N VAL A 61 -7.716 -28.136 -15.524 1.00 1.49 N ATOM 916 CA VAL A 61 -6.780 -28.228 -14.412 1.00 1.90 C ATOM 917 C VAL A 61 -5.545 -27.359 -14.661 1.00 2.03 C ATOM 918 O VAL A 61 -4.820 -27.010 -13.730 1.00 2.77 O ATOM 919 CB VAL A 61 -6.359 -29.697 -14.162 1.00 2.42 C ATOM 920 CG1 VAL A 61 -5.359 -30.175 -15.206 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.794 -29.868 -12.759 1.00 2.70 C ATOM 0 H VAL A 61 -7.713 -28.947 -16.142 1.00 1.49 H new ATOM 0 HA VAL A 61 -7.288 -27.858 -13.521 1.00 1.90 H new ATOM 0 HB VAL A 61 -7.253 -30.315 -14.250 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -5.085 -31.210 -15.000 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -5.808 -30.108 -16.197 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.467 -29.549 -15.169 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -5.505 -30.908 -12.607 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -4.920 -29.228 -12.638 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.551 -29.591 -12.026 1.00 2.70 H new ATOM 931 N GLU A 62 -5.333 -26.989 -15.918 1.00 1.77 N ATOM 932 CA GLU A 62 -4.188 -26.170 -16.296 1.00 2.15 C ATOM 933 C GLU A 62 -4.605 -24.706 -16.402 1.00 1.95 C ATOM 934 O GLU A 62 -4.236 -24.010 -17.353 1.00 2.59 O ATOM 935 CB GLU A 62 -3.607 -26.655 -17.625 1.00 2.85 C ATOM 936 CG GLU A 62 -2.496 -27.677 -17.460 1.00 3.27 C ATOM 937 CD GLU A 62 -1.121 -27.075 -17.649 1.00 4.00 C ATOM 938 OE1 GLU A 62 -0.825 -26.043 -17.011 1.00 4.41 O ATOM 939 OE2 GLU A 62 -0.330 -27.626 -18.444 1.00 4.56 O ATOM 0 H GLU A 62 -5.942 -27.244 -16.696 1.00 1.77 H new ATOM 0 HA GLU A 62 -3.420 -26.261 -15.528 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -4.406 -27.091 -18.225 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -3.223 -25.799 -18.180 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.561 -28.122 -16.467 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -2.638 -28.483 -18.180 1.00 3.27 H new ATOM 946 N LEU A 63 -5.387 -24.265 -15.413 1.00 1.62 N ATOM 947 CA LEU A 63 -5.941 -22.910 -15.362 1.00 1.78 C ATOM 948 C LEU A 63 -7.032 -22.723 -16.416 1.00 1.53 C ATOM 949 O LEU A 63 -6.846 -23.045 -17.592 1.00 1.50 O ATOM 950 CB LEU A 63 -4.847 -21.845 -15.532 1.00 2.34 C ATOM 951 CG LEU A 63 -4.899 -20.703 -14.516 1.00 2.46 C ATOM 952 CD1 LEU A 63 -3.831 -20.890 -13.450 1.00 2.93 C ATOM 953 CD2 LEU A 63 -4.729 -19.365 -15.215 1.00 3.01 C ATOM 0 H LEU A 63 -5.656 -24.844 -14.618 1.00 1.62 H new ATOM 0 HA LEU A 63 -6.386 -22.781 -14.375 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -3.873 -22.330 -15.462 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -4.922 -21.424 -16.535 1.00 2.34 H new ATOM 0 HG LEU A 63 -5.874 -20.716 -14.029 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -3.882 -20.068 -12.735 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -3.997 -21.834 -12.930 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -2.847 -20.902 -13.919 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -4.768 -18.562 -14.479 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.767 -19.341 -15.727 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -5.530 -19.230 -15.942 1.00 3.01 H new ATOM 965 N PRO A 64 -8.200 -22.215 -16.000 1.00 1.52 N ATOM 966 CA PRO A 64 -9.329 -21.988 -16.902 1.00 1.44 C ATOM 967 C PRO A 64 -9.127 -20.762 -17.794 1.00 1.43 C ATOM 968 O PRO A 64 -9.745 -19.719 -17.580 1.00 1.89 O ATOM 969 CB PRO A 64 -10.505 -21.777 -15.946 1.00 1.66 C ATOM 970 CG PRO A 64 -9.891 -21.229 -14.703 1.00 1.91 C ATOM 971 CD PRO A 64 -8.516 -21.832 -14.609 1.00 1.79 C ATOM 0 HA PRO A 64 -9.472 -22.816 -17.597 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -11.236 -21.085 -16.365 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -11.028 -22.713 -15.750 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -9.836 -20.141 -14.743 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -10.489 -21.486 -13.828 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -7.792 -21.117 -14.217 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -8.503 -22.696 -13.944 1.00 1.79 H new ATOM 979 N LEU A 65 -8.250 -20.900 -18.783 1.00 1.22 N ATOM 980 CA LEU A 65 -7.996 -19.837 -19.751 1.00 1.24 C ATOM 981 C LEU A 65 -9.279 -19.478 -20.494 1.00 1.19 C ATOM 982 O LEU A 65 -9.814 -20.292 -21.248 1.00 1.82 O ATOM 983 CB LEU A 65 -6.907 -20.284 -20.735 1.00 1.39 C ATOM 984 CG LEU A 65 -6.923 -19.591 -22.101 1.00 1.86 C ATOM 985 CD1 LEU A 65 -6.162 -18.278 -22.045 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.333 -20.502 -23.167 1.00 2.34 C ATOM 0 H LEU A 65 -7.699 -21.744 -18.936 1.00 1.22 H new ATOM 0 HA LEU A 65 -7.650 -18.948 -19.223 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -5.934 -20.115 -20.273 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.003 -21.358 -20.892 1.00 1.39 H new ATOM 0 HG LEU A 65 -7.959 -19.376 -22.363 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.185 -17.802 -23.025 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -6.626 -17.620 -21.311 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.128 -18.469 -21.759 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -6.352 -19.994 -24.131 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -5.303 -20.747 -22.907 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -6.920 -21.418 -23.228 1.00 2.34 H new ATOM 998 N LYS A 66 -9.761 -18.257 -20.266 1.00 0.89 N ATOM 999 CA LYS A 66 -11.031 -17.795 -20.817 1.00 0.89 C ATOM 1000 C LYS A 66 -12.171 -18.705 -20.362 1.00 0.88 C ATOM 1001 O LYS A 66 -12.520 -18.713 -19.176 1.00 1.21 O ATOM 1002 CB LYS A 66 -10.966 -17.710 -22.348 1.00 1.03 C ATOM 1003 CG LYS A 66 -10.859 -16.286 -22.867 1.00 1.47 C ATOM 1004 CD LYS A 66 -10.946 -16.234 -24.384 1.00 1.62 C ATOM 1005 CE LYS A 66 -11.428 -14.873 -24.864 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.249 -14.697 -26.328 1.00 2.42 N ATOM 0 H LYS A 66 -9.281 -17.562 -19.694 1.00 0.89 H new ATOM 0 HA LYS A 66 -11.226 -16.791 -20.439 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -10.109 -18.283 -22.701 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -11.856 -18.177 -22.769 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -11.656 -15.680 -22.436 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -9.915 -15.850 -22.541 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -9.968 -16.448 -24.814 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -11.626 -17.009 -24.738 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -12.482 -14.753 -24.612 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -10.883 -14.090 -24.337 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -11.591 -13.756 -26.609 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -10.241 -14.785 -26.567 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -11.790 -15.427 -26.834 1.00 2.42 H new ATOM 1020 N VAL A 67 -12.726 -19.478 -21.301 1.00 0.96 N ATOM 1021 CA VAL A 67 -13.817 -20.418 -21.026 1.00 1.08 C ATOM 1022 C VAL A 67 -15.052 -19.709 -20.469 1.00 1.15 C ATOM 1023 O VAL A 67 -15.960 -19.355 -21.218 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.386 -21.550 -20.060 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -14.513 -22.554 -19.862 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -12.140 -22.254 -20.576 1.00 2.11 C ATOM 0 H VAL A 67 -12.430 -19.469 -22.277 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.074 -20.867 -21.985 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.155 -21.097 -19.096 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -14.186 -23.339 -19.180 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -15.382 -22.047 -19.442 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -14.780 -22.996 -20.822 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -11.855 -23.045 -19.882 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -12.346 -22.687 -21.555 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -11.325 -21.535 -20.661 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.075 -19.498 -19.158 1.00 1.00 N ATOM 1037 CA LEU A 68 -16.221 -18.898 -18.494 1.00 1.15 C ATOM 1038 C LEU A 68 -15.781 -18.077 -17.286 1.00 1.14 C ATOM 1039 O LEU A 68 -16.608 -17.636 -16.489 1.00 1.53 O ATOM 1040 CB LEU A 68 -17.195 -19.993 -18.051 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.666 -19.583 -18.035 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -19.220 -19.542 -19.448 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -19.472 -20.542 -17.173 1.00 2.02 C ATOM 0 H LEU A 68 -14.306 -19.736 -18.532 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.718 -18.232 -19.199 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -17.080 -20.850 -18.714 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.915 -20.324 -17.051 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.744 -18.584 -17.606 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -20.269 -19.248 -19.419 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.657 -18.819 -20.039 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -19.132 -20.529 -19.902 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -20.519 -20.237 -17.171 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -19.389 -21.551 -17.576 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -19.087 -20.526 -16.153 1.00 2.02 H new ATOM 1055 N PHE A 69 -14.474 -17.859 -17.158 1.00 1.04 N ATOM 1056 CA PHE A 69 -13.938 -17.202 -15.969 1.00 1.16 C ATOM 1057 C PHE A 69 -12.886 -16.151 -16.314 1.00 1.15 C ATOM 1058 O PHE A 69 -13.017 -14.990 -15.933 1.00 1.87 O ATOM 1059 CB PHE A 69 -13.332 -18.239 -15.019 1.00 1.30 C ATOM 1060 CG PHE A 69 -14.055 -18.355 -13.706 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -15.437 -18.423 -13.667 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -13.353 -18.387 -12.511 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -16.106 -18.524 -12.460 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -14.014 -18.486 -11.304 1.00 1.81 C ATOM 1065 CZ PHE A 69 -15.388 -18.589 -11.279 1.00 1.60 C ATOM 0 H PHE A 69 -13.775 -18.123 -17.852 1.00 1.04 H new ATOM 0 HA PHE A 69 -14.770 -16.694 -15.482 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -13.332 -19.212 -15.510 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -12.291 -17.978 -14.828 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -15.999 -18.397 -14.589 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -12.274 -18.334 -12.525 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -17.185 -18.552 -12.440 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.455 -18.483 -10.380 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.904 -18.720 -10.339 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.844 -16.556 -17.030 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.714 -15.672 -17.286 1.00 0.94 C ATOM 1077 C ALA A 70 -10.992 -14.700 -18.431 1.00 0.91 C ATOM 1078 O ALA A 70 -10.364 -14.776 -19.490 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.461 -16.485 -17.564 1.00 1.03 C ATOM 0 H ALA A 70 -11.758 -17.485 -17.441 1.00 0.92 H new ATOM 0 HA ALA A 70 -10.557 -15.073 -16.389 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.625 -15.812 -17.753 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.234 -17.111 -16.701 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -9.623 -17.117 -18.437 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.939 -13.796 -18.204 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.276 -12.750 -19.162 1.00 1.14 C ATOM 1087 C GLN A 71 -13.149 -11.694 -18.490 1.00 1.04 C ATOM 1088 O GLN A 71 -14.175 -12.023 -17.892 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.010 -13.331 -20.374 1.00 1.43 C ATOM 1090 CG GLN A 71 -12.271 -13.135 -21.688 1.00 1.89 C ATOM 1091 CD GLN A 71 -12.620 -11.827 -22.368 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -13.748 -11.340 -22.273 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -11.655 -11.251 -23.065 1.00 3.23 N ATOM 0 H GLN A 71 -12.495 -13.768 -17.349 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.349 -12.292 -19.508 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.171 -14.397 -20.213 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -13.994 -12.868 -20.448 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -11.197 -13.169 -21.504 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -12.506 -13.962 -22.358 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -10.734 -11.687 -23.119 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -11.831 -10.371 -23.549 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.753 -10.412 -18.574 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.490 -9.292 -17.965 1.00 1.26 C ATOM 1104 C PRO A 72 -14.805 -8.966 -18.683 1.00 1.21 C ATOM 1105 O PRO A 72 -15.129 -7.801 -18.914 1.00 1.62 O ATOM 1106 CB PRO A 72 -12.516 -8.108 -18.079 1.00 1.60 C ATOM 1107 CG PRO A 72 -11.204 -8.706 -18.460 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.533 -9.945 -19.237 1.00 1.38 C ATOM 0 HA PRO A 72 -13.785 -9.530 -16.943 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.854 -7.393 -18.829 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -12.442 -7.569 -17.135 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.617 -8.011 -19.061 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.611 -8.944 -17.577 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.700 -9.731 -20.293 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.733 -10.683 -19.184 1.00 1.38 H new ATOM 1116 N THR A 73 -15.538 -10.003 -19.052 1.00 1.29 N ATOM 1117 CA THR A 73 -16.860 -9.873 -19.652 1.00 1.40 C ATOM 1118 C THR A 73 -17.613 -11.188 -19.470 1.00 1.25 C ATOM 1119 O THR A 73 -17.820 -11.949 -20.420 1.00 1.55 O ATOM 1120 CB THR A 73 -16.799 -9.510 -21.155 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.624 -8.736 -21.438 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.032 -8.720 -21.569 1.00 2.01 C ATOM 0 H THR A 73 -15.231 -10.970 -18.943 1.00 1.29 H new ATOM 0 HA THR A 73 -17.377 -9.056 -19.149 1.00 1.40 H new ATOM 0 HB THR A 73 -16.764 -10.440 -21.722 1.00 1.86 H new ATOM 0 HG1 THR A 73 -14.890 -9.335 -21.687 1.00 2.46 H new ATOM 0 HG21 THR A 73 -17.968 -8.475 -22.629 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.925 -9.318 -21.388 1.00 2.01 H new ATOM 0 HG23 THR A 73 -18.087 -7.800 -20.987 1.00 2.01 H new ATOM 1130 N ILE A 74 -18.016 -11.444 -18.235 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.583 -12.728 -17.854 1.00 1.13 C ATOM 1132 C ILE A 74 -19.991 -12.898 -18.414 1.00 1.08 C ATOM 1133 O ILE A 74 -20.382 -14.002 -18.783 1.00 1.12 O ATOM 1134 CB ILE A 74 -18.599 -12.902 -16.319 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.177 -12.790 -15.762 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -19.214 -14.242 -15.925 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -16.956 -11.572 -14.892 1.00 2.08 C ATOM 0 H ILE A 74 -17.960 -10.770 -17.471 1.00 1.12 H new ATOM 0 HA ILE A 74 -17.945 -13.501 -18.282 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.213 -12.109 -15.893 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -16.953 -13.685 -15.182 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -16.472 -12.764 -16.593 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -19.212 -14.338 -14.839 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -20.239 -14.294 -16.292 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -18.630 -15.053 -16.362 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -15.926 -11.562 -14.535 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -17.147 -10.670 -15.473 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -17.635 -11.605 -14.040 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.745 -11.805 -18.497 1.00 1.07 N ATOM 1150 CA LYS A 75 -22.093 -11.859 -19.058 1.00 1.12 C ATOM 1151 C LYS A 75 -22.053 -12.344 -20.510 1.00 1.02 C ATOM 1152 O LYS A 75 -22.965 -13.029 -20.974 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.783 -10.485 -18.943 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.010 -9.771 -20.268 1.00 1.80 C ATOM 1155 CD LYS A 75 -24.492 -9.668 -20.603 1.00 2.44 C ATOM 1156 CE LYS A 75 -24.730 -9.752 -22.102 1.00 3.14 C ATOM 1157 NZ LYS A 75 -26.174 -9.686 -22.447 1.00 3.80 N ATOM 0 H LYS A 75 -20.450 -10.879 -18.186 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.680 -12.576 -18.484 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -23.745 -10.618 -18.449 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.180 -9.844 -18.300 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -22.576 -8.772 -20.222 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -22.493 -10.307 -21.064 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -25.036 -10.468 -20.101 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -24.888 -8.726 -20.223 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -24.202 -8.937 -22.598 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -24.310 -10.683 -22.483 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -26.287 -9.747 -23.479 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -26.675 -10.478 -21.996 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -26.571 -8.787 -22.108 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.975 -12.010 -21.212 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.805 -12.427 -22.595 1.00 0.98 C ATOM 1173 C ALA A 76 -20.398 -13.893 -22.672 1.00 0.91 C ATOM 1174 O ALA A 76 -20.931 -14.659 -23.476 1.00 0.97 O ATOM 1175 CB ALA A 76 -19.772 -11.554 -23.290 1.00 1.08 C ATOM 0 H ALA A 76 -20.206 -11.451 -20.843 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.761 -12.310 -23.106 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -19.657 -11.879 -24.324 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -20.102 -10.515 -23.271 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.816 -11.641 -22.774 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.463 -14.283 -21.816 1.00 0.91 N ATOM 1182 CA LEU A 77 -18.965 -15.655 -21.796 1.00 0.97 C ATOM 1183 C LEU A 77 -20.081 -16.630 -21.427 1.00 1.04 C ATOM 1184 O LEU A 77 -20.235 -17.681 -22.053 1.00 1.11 O ATOM 1185 CB LEU A 77 -17.809 -15.779 -20.802 1.00 1.15 C ATOM 1186 CG LEU A 77 -16.436 -16.037 -21.426 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.163 -15.049 -22.549 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -15.348 -15.951 -20.367 1.00 1.94 C ATOM 0 H LEU A 77 -19.033 -13.669 -21.125 1.00 0.91 H new ATOM 0 HA LEU A 77 -18.605 -15.906 -22.794 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -17.757 -14.862 -20.215 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -18.033 -16.590 -20.109 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.433 -17.043 -21.846 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.182 -15.249 -22.979 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.926 -15.155 -23.320 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -16.185 -14.033 -22.154 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -14.377 -16.137 -20.827 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -15.353 -14.957 -19.920 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -15.532 -16.697 -19.594 1.00 1.94 H new ATOM 1200 N ALA A 78 -20.870 -16.255 -20.426 1.00 1.13 N ATOM 1201 CA ALA A 78 -21.958 -17.092 -19.933 1.00 1.34 C ATOM 1202 C ALA A 78 -23.107 -17.165 -20.937 1.00 1.34 C ATOM 1203 O ALA A 78 -23.949 -18.060 -20.868 1.00 1.53 O ATOM 1204 CB ALA A 78 -22.460 -16.572 -18.591 1.00 1.57 C ATOM 0 H ALA A 78 -20.774 -15.366 -19.935 1.00 1.13 H new ATOM 0 HA ALA A 78 -21.568 -18.101 -19.799 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -23.272 -17.207 -18.236 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -21.645 -16.586 -17.867 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -22.823 -15.551 -18.709 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.147 -16.222 -21.870 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.180 -16.231 -22.898 1.00 1.42 C ATOM 1212 C GLN A 79 -23.754 -17.117 -24.068 1.00 1.44 C ATOM 1213 O GLN A 79 -24.539 -17.385 -24.979 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.488 -14.800 -23.370 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.795 -14.400 -24.664 1.00 1.65 C ATOM 1216 CD GLN A 79 -23.581 -12.906 -24.776 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.401 -12.112 -24.318 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -22.473 -12.513 -25.378 1.00 2.74 N ATOM 0 H GLN A 79 -22.484 -15.449 -21.936 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.094 -16.645 -22.472 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.565 -14.699 -23.503 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -24.197 -14.102 -22.586 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -22.832 -14.906 -24.727 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -24.390 -14.742 -25.511 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -21.819 -13.205 -25.744 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -22.272 -11.518 -25.477 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.510 -17.580 -24.029 1.00 1.23 N ATOM 1228 CA TYR A 80 -21.985 -18.428 -25.088 1.00 1.38 C ATOM 1229 C TYR A 80 -21.786 -19.865 -24.605 1.00 1.39 C ATOM 1230 O TYR A 80 -22.530 -20.764 -24.990 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.665 -17.865 -25.616 1.00 1.43 C ATOM 1232 CG TYR A 80 -20.836 -16.627 -26.469 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -21.904 -16.509 -27.348 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -19.928 -15.577 -26.396 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -22.062 -15.383 -28.134 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -20.080 -14.447 -27.177 1.00 2.18 C ATOM 1237 CZ TYR A 80 -21.158 -14.349 -28.033 1.00 2.42 C ATOM 1238 OH TYR A 80 -21.296 -13.232 -28.827 1.00 2.85 O ATOM 0 H TYR A 80 -21.849 -17.382 -23.277 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.717 -18.441 -25.896 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.016 -17.629 -24.772 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -20.160 -18.633 -26.201 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -22.624 -17.311 -27.419 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -19.090 -15.645 -25.718 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -22.890 -15.314 -28.824 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -19.359 -13.645 -27.118 1.00 2.18 H new ATOM 0 HH TYR A 80 -20.575 -12.598 -28.628 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.797 -20.069 -23.743 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.421 -21.415 -23.310 1.00 1.39 C ATOM 1250 C VAL A 81 -21.060 -21.767 -21.969 1.00 1.35 C ATOM 1251 O VAL A 81 -20.377 -22.204 -21.038 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.886 -21.573 -23.190 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -18.469 -23.005 -23.492 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.158 -20.600 -24.108 1.00 1.72 C ATOM 0 H VAL A 81 -20.240 -19.322 -23.329 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.788 -22.097 -24.077 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.606 -21.339 -22.163 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -17.386 -23.095 -23.402 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -18.949 -23.681 -22.784 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -18.772 -23.266 -24.506 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.082 -20.735 -24.001 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.447 -20.790 -25.142 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.424 -19.578 -23.839 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.368 -21.579 -21.876 1.00 1.42 N ATOM 1265 CA ALA A 82 -23.096 -21.890 -20.653 1.00 1.52 C ATOM 1266 C ALA A 82 -24.575 -22.123 -20.928 1.00 1.59 C ATOM 1267 O ALA A 82 -25.212 -22.939 -20.268 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.920 -20.780 -19.627 1.00 1.66 C ATOM 0 H ALA A 82 -22.947 -21.213 -22.632 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.680 -22.813 -20.249 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.471 -21.031 -18.721 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.862 -20.669 -19.389 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -23.300 -19.844 -20.035 1.00 1.66 H new ATOM 1274 N THR A 83 -25.110 -21.407 -21.907 1.00 1.64 N ATOM 1275 CA THR A 83 -26.525 -21.493 -22.240 1.00 1.83 C ATOM 1276 C THR A 83 -26.899 -22.877 -22.760 1.00 2.01 C ATOM 1277 O THR A 83 -27.965 -23.401 -22.433 1.00 2.41 O ATOM 1278 CB THR A 83 -26.883 -20.446 -23.299 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.682 -19.970 -23.921 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.639 -19.281 -22.676 1.00 2.65 C ATOM 0 H THR A 83 -24.582 -20.756 -22.488 1.00 1.64 H new ATOM 0 HA THR A 83 -27.086 -21.305 -21.325 1.00 1.83 H new ATOM 0 HB THR A 83 -27.527 -20.910 -24.046 1.00 2.14 H new ATOM 0 HG1 THR A 83 -25.776 -19.016 -24.127 1.00 2.59 H new ATOM 0 HG21 THR A 83 -27.882 -18.551 -23.448 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.559 -19.647 -22.220 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.018 -18.810 -21.914 1.00 2.65 H new ATOM 1288 N ARG A 84 -26.020 -23.449 -23.585 1.00 2.19 N ATOM 1289 CA ARG A 84 -26.239 -24.770 -24.175 1.00 2.75 C ATOM 1290 C ARG A 84 -27.528 -24.785 -24.998 1.00 3.36 C ATOM 1291 O ARG A 84 -28.160 -25.827 -25.184 1.00 4.13 O ATOM 1292 CB ARG A 84 -26.282 -25.842 -23.081 1.00 3.41 C ATOM 1293 CG ARG A 84 -26.041 -27.255 -23.587 1.00 3.80 C ATOM 1294 CD ARG A 84 -27.123 -28.203 -23.096 1.00 4.57 C ATOM 1295 NE ARG A 84 -27.322 -28.101 -21.651 1.00 5.32 N ATOM 1296 CZ ARG A 84 -28.441 -27.662 -21.077 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -29.487 -27.333 -21.822 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -28.514 -27.571 -19.756 1.00 7.09 N ATOM 0 H ARG A 84 -25.141 -23.012 -23.862 1.00 2.19 H new ATOM 0 HA ARG A 84 -25.407 -24.993 -24.843 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -25.533 -25.605 -22.326 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -27.254 -25.805 -22.589 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -26.019 -27.256 -24.677 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -25.066 -27.605 -23.249 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -28.059 -27.982 -23.608 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -26.853 -29.227 -23.354 1.00 4.57 H new ATOM 0 HE ARG A 84 -26.554 -28.385 -21.043 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -29.436 -27.416 -22.837 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -30.343 -26.997 -21.380 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -27.714 -27.837 -19.182 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -29.370 -27.235 -19.314 1.00 7.09 H new ATOM 1312 N SER A 85 -27.901 -23.623 -25.505 1.00 3.58 N ATOM 1313 CA SER A 85 -29.118 -23.482 -26.279 1.00 4.69 C ATOM 1314 C SER A 85 -28.779 -23.318 -27.754 1.00 5.43 C ATOM 1315 O SER A 85 -27.820 -22.576 -28.064 1.00 5.80 O ATOM 1316 CB SER A 85 -29.921 -22.285 -25.772 1.00 5.10 C ATOM 1317 OG SER A 85 -29.723 -22.101 -24.377 1.00 4.66 O ATOM 1318 OXT SER A 85 -29.443 -23.959 -28.594 1.00 5.98 O ATOM 0 H SER A 85 -27.372 -22.758 -25.392 1.00 3.58 H new ATOM 0 HA SER A 85 -29.725 -24.380 -26.163 1.00 4.69 H new ATOM 0 HB2 SER A 85 -29.620 -21.385 -26.309 1.00 5.10 H new ATOM 0 HB3 SER A 85 -30.981 -22.439 -25.977 1.00 5.10 H new ATOM 0 HG SER A 85 -30.244 -21.329 -24.072 1.00 4.66 H new TER 1324 SER A 85