USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 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 12 THR OG1 : rot 180:sc= 0.709 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -164:sc= 0.825 (180deg=0.665) USER MOD Set 2.1: A 4 THR OG1 : rot -164:sc= 0.498 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.438 K(o=0.94,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.00879 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.02 K(o=-1,f=-0.18) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -4.6! C(o=-4.6!,f=-7.5!) USER MOD Single : A 17 SER OG : rot 78:sc= 1.09 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 72:sc= 0.902 USER MOD Single : A 40 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.17) USER MOD Single : A 44 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.56) USER MOD Single : A 45 SER OG : rot 180:sc= 0.112 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -136:sc= -0.235 (180deg=-0.418) USER MOD Single : A 54 GLN : amide:sc= -4.15! C(o=-4.2!,f=-3.1!) USER MOD Single : A 56 HIS : no HD1:sc= -1.66! K(o=-1.7!,f=0.51) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.75! C(o=-1.8!,f=-5.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.74! C(o=-1.7!,f=-3.4!) USER MOD Single : A 73 THR OG1 : rot -120:sc= -0.912 USER MOD Single : A 79 GLN : amide:sc=-0.00189 X(o=-0.0019,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.490 -15.566 -3.025 1.00 6.70 N ATOM 2 CA MET A 1 -4.255 -14.802 -3.312 1.00 6.30 C ATOM 3 C MET A 1 -4.213 -13.529 -2.474 1.00 5.83 C ATOM 4 O MET A 1 -4.686 -13.518 -1.336 1.00 6.14 O ATOM 5 CB MET A 1 -4.175 -14.458 -4.801 1.00 6.81 C ATOM 6 CG MET A 1 -2.984 -15.085 -5.507 1.00 7.17 C ATOM 7 SD MET A 1 -1.882 -13.859 -6.238 1.00 7.86 S ATOM 8 CE MET A 1 -0.724 -13.611 -4.893 1.00 8.54 C ATOM 0 H1 MET A 1 -5.363 -16.555 -3.320 1.00 6.70 H new ATOM 0 H2 MET A 1 -5.690 -15.532 -2.005 1.00 6.70 H new ATOM 0 H3 MET A 1 -6.286 -15.149 -3.548 1.00 6.70 H new ATOM 0 HA MET A 1 -3.396 -15.421 -3.051 1.00 6.30 H new ATOM 0 HB2 MET A 1 -5.092 -14.787 -5.291 1.00 6.81 H new ATOM 0 HB3 MET A 1 -4.124 -13.375 -4.913 1.00 6.81 H new ATOM 0 HG2 MET A 1 -2.424 -15.692 -4.796 1.00 7.17 H new ATOM 0 HG3 MET A 1 -3.342 -15.757 -6.287 1.00 7.17 H new ATOM 0 HE1 MET A 1 0.025 -12.877 -5.189 1.00 8.54 H new ATOM 0 HE2 MET A 1 -1.259 -13.250 -4.014 1.00 8.54 H new ATOM 0 HE3 MET A 1 -0.233 -14.555 -4.657 1.00 8.54 H new ATOM 20 N GLY A 2 -3.654 -12.463 -3.034 1.00 5.41 N ATOM 21 CA GLY A 2 -3.553 -11.214 -2.310 1.00 5.21 C ATOM 22 C GLY A 2 -4.800 -10.366 -2.450 1.00 4.76 C ATOM 23 O GLY A 2 -5.385 -10.282 -3.529 1.00 5.03 O ATOM 0 H GLY A 2 -3.269 -12.443 -3.978 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -3.374 -11.422 -1.255 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -2.692 -10.654 -2.675 1.00 5.21 H new ATOM 27 N VAL A 3 -5.203 -9.736 -1.358 1.00 4.46 N ATOM 28 CA VAL A 3 -6.401 -8.909 -1.346 1.00 4.34 C ATOM 29 C VAL A 3 -6.034 -7.433 -1.430 1.00 3.47 C ATOM 30 O VAL A 3 -5.577 -6.837 -0.453 1.00 3.74 O ATOM 31 CB VAL A 3 -7.263 -9.144 -0.082 1.00 5.24 C ATOM 32 CG1 VAL A 3 -8.643 -9.646 -0.469 1.00 6.05 C ATOM 33 CG2 VAL A 3 -6.589 -10.117 0.874 1.00 5.84 C ATOM 0 H VAL A 3 -4.715 -9.782 -0.463 1.00 4.46 H new ATOM 0 HA VAL A 3 -6.988 -9.197 -2.218 1.00 4.34 H new ATOM 0 HB VAL A 3 -7.369 -8.190 0.435 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -9.237 -9.807 0.431 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -9.135 -8.907 -1.102 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -8.549 -10.585 -1.014 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -7.220 -10.261 1.751 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -6.440 -11.074 0.374 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -5.624 -9.714 1.183 1.00 5.84 H new ATOM 43 N THR A 4 -6.214 -6.857 -2.606 1.00 2.94 N ATOM 44 CA THR A 4 -5.928 -5.448 -2.819 1.00 2.60 C ATOM 45 C THR A 4 -7.153 -4.730 -3.374 1.00 2.42 C ATOM 46 O THR A 4 -7.726 -5.149 -4.378 1.00 3.09 O ATOM 47 CB THR A 4 -4.744 -5.264 -3.784 1.00 2.97 C ATOM 48 OG1 THR A 4 -4.159 -6.541 -4.083 1.00 3.36 O ATOM 49 CG2 THR A 4 -3.691 -4.347 -3.179 1.00 3.59 C ATOM 0 H THR A 4 -6.559 -7.346 -3.432 1.00 2.94 H new ATOM 0 HA THR A 4 -5.664 -5.015 -1.854 1.00 2.60 H new ATOM 0 HB THR A 4 -5.115 -4.807 -4.702 1.00 2.97 H new ATOM 0 HG1 THR A 4 -3.273 -6.410 -4.480 1.00 3.36 H new ATOM 0 HG21 THR A 4 -2.863 -4.232 -3.879 1.00 3.59 H new ATOM 0 HG22 THR A 4 -4.132 -3.371 -2.975 1.00 3.59 H new ATOM 0 HG23 THR A 4 -3.322 -4.780 -2.249 1.00 3.59 H new ATOM 57 N GLU A 5 -7.558 -3.664 -2.702 1.00 2.01 N ATOM 58 CA GLU A 5 -8.727 -2.895 -3.108 1.00 1.95 C ATOM 59 C GLU A 5 -8.441 -2.099 -4.376 1.00 2.02 C ATOM 60 O GLU A 5 -7.354 -1.536 -4.538 1.00 2.45 O ATOM 61 CB GLU A 5 -9.160 -1.951 -1.982 1.00 2.25 C ATOM 62 CG GLU A 5 -9.049 -2.567 -0.596 1.00 2.50 C ATOM 63 CD GLU A 5 -7.751 -2.213 0.100 1.00 3.01 C ATOM 64 OE1 GLU A 5 -6.697 -2.746 -0.296 1.00 3.47 O ATOM 65 OE2 GLU A 5 -7.781 -1.400 1.053 1.00 3.44 O ATOM 0 H GLU A 5 -7.092 -3.309 -1.867 1.00 2.01 H new ATOM 0 HA GLU A 5 -9.537 -3.594 -3.316 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -8.549 -1.049 -2.020 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -10.192 -1.644 -2.153 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -9.887 -2.231 0.015 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -9.129 -3.651 -0.677 1.00 2.50 H new ATOM 72 N ALA A 6 -9.419 -2.056 -5.268 1.00 1.93 N ATOM 73 CA ALA A 6 -9.298 -1.311 -6.511 1.00 2.21 C ATOM 74 C ALA A 6 -10.661 -0.779 -6.937 1.00 1.87 C ATOM 75 O ALA A 6 -11.681 -1.431 -6.722 1.00 2.34 O ATOM 76 CB ALA A 6 -8.693 -2.182 -7.606 1.00 3.01 C ATOM 0 H ALA A 6 -10.313 -2.533 -5.152 1.00 1.93 H new ATOM 0 HA ALA A 6 -8.630 -0.466 -6.346 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -8.612 -1.605 -8.527 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -7.702 -2.517 -7.299 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -9.332 -3.048 -7.776 1.00 3.01 H new ATOM 82 N GLN A 7 -10.673 0.406 -7.527 1.00 1.57 N ATOM 83 CA GLN A 7 -11.918 1.041 -7.934 1.00 1.65 C ATOM 84 C GLN A 7 -12.101 0.959 -9.442 1.00 1.53 C ATOM 85 O GLN A 7 -11.633 1.824 -10.184 1.00 1.80 O ATOM 86 CB GLN A 7 -11.942 2.500 -7.476 1.00 2.14 C ATOM 87 CG GLN A 7 -12.400 2.669 -6.037 1.00 2.64 C ATOM 88 CD GLN A 7 -11.357 3.329 -5.154 1.00 3.04 C ATOM 89 OE1 GLN A 7 -11.693 4.044 -4.212 1.00 3.51 O ATOM 90 NE2 GLN A 7 -10.089 3.094 -5.447 1.00 3.49 N ATOM 0 H GLN A 7 -9.834 0.948 -7.735 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.743 0.509 -7.461 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -10.944 2.925 -7.585 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -12.603 3.068 -8.130 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -13.312 3.266 -6.020 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -12.651 1.692 -5.625 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -9.851 2.495 -6.237 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -9.349 3.512 -4.883 1.00 3.49 H new ATOM 99 N TYR A 8 -12.766 -0.096 -9.890 1.00 1.48 N ATOM 100 CA TYR A 8 -13.029 -0.283 -11.312 1.00 1.47 C ATOM 101 C TYR A 8 -14.375 -0.974 -11.539 1.00 1.56 C ATOM 102 O TYR A 8 -14.763 -1.249 -12.676 1.00 2.27 O ATOM 103 CB TYR A 8 -11.904 -1.109 -11.939 1.00 1.61 C ATOM 104 CG TYR A 8 -11.685 -0.856 -13.414 1.00 1.62 C ATOM 105 CD1 TYR A 8 -10.980 0.257 -13.858 1.00 1.71 C ATOM 106 CD2 TYR A 8 -12.174 -1.742 -14.363 1.00 1.79 C ATOM 107 CE1 TYR A 8 -10.771 0.476 -15.207 1.00 1.89 C ATOM 108 CE2 TYR A 8 -11.972 -1.530 -15.713 1.00 2.00 C ATOM 109 CZ TYR A 8 -11.270 -0.421 -16.129 1.00 2.01 C ATOM 110 OH TYR A 8 -11.062 -0.213 -17.474 1.00 2.32 O ATOM 0 H TYR A 8 -13.133 -0.836 -9.291 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.070 0.698 -11.786 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -10.977 -0.899 -11.406 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.123 -2.167 -11.794 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -10.590 0.961 -13.138 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -12.723 -2.614 -14.040 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -10.220 1.344 -15.537 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -12.362 -2.230 -16.437 1.00 2.00 H new ATOM 0 HH TYR A 8 -11.478 -0.938 -17.985 1.00 2.32 H new ATOM 120 N VAL A 9 -15.094 -1.238 -10.457 1.00 1.35 N ATOM 121 CA VAL A 9 -16.344 -1.979 -10.541 1.00 1.47 C ATOM 122 C VAL A 9 -17.494 -1.081 -11.012 1.00 1.51 C ATOM 123 O VAL A 9 -18.137 -0.386 -10.224 1.00 2.13 O ATOM 124 CB VAL A 9 -16.690 -2.662 -9.191 1.00 1.74 C ATOM 125 CG1 VAL A 9 -16.607 -1.678 -8.031 1.00 2.00 C ATOM 126 CG2 VAL A 9 -18.058 -3.325 -9.249 1.00 2.05 C ATOM 0 H VAL A 9 -14.834 -0.951 -9.513 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.207 -2.764 -11.285 1.00 1.47 H new ATOM 0 HB VAL A 9 -15.946 -3.440 -9.016 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -16.855 -2.190 -7.101 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -15.595 -1.277 -7.966 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.311 -0.862 -8.195 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -18.275 -3.796 -8.290 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -18.818 -2.574 -9.465 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -18.063 -4.081 -10.034 1.00 2.05 H new ATOM 136 N ALA A 10 -17.724 -1.085 -12.320 1.00 1.41 N ATOM 137 CA ALA A 10 -18.826 -0.338 -12.916 1.00 1.50 C ATOM 138 C ALA A 10 -19.092 -0.825 -14.339 1.00 1.34 C ATOM 139 O ALA A 10 -18.726 -0.163 -15.311 1.00 1.73 O ATOM 140 CB ALA A 10 -18.530 1.156 -12.912 1.00 2.09 C ATOM 0 H ALA A 10 -17.157 -1.601 -12.993 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.720 -0.511 -12.316 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -19.365 1.694 -13.361 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -18.389 1.496 -11.886 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.624 1.349 -13.486 1.00 2.09 H new ATOM 146 N PRO A 11 -19.717 -2.005 -14.481 1.00 1.24 N ATOM 147 CA PRO A 11 -20.002 -2.605 -15.782 1.00 1.52 C ATOM 148 C PRO A 11 -21.266 -2.021 -16.426 1.00 1.50 C ATOM 149 O PRO A 11 -21.452 -0.802 -16.451 1.00 1.83 O ATOM 150 CB PRO A 11 -20.186 -4.100 -15.454 1.00 1.87 C ATOM 151 CG PRO A 11 -20.019 -4.232 -13.971 1.00 1.88 C ATOM 152 CD PRO A 11 -20.200 -2.857 -13.396 1.00 1.45 C ATOM 0 HA PRO A 11 -19.209 -2.416 -16.506 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -21.171 -4.448 -15.766 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -19.451 -4.707 -15.983 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -20.753 -4.924 -13.558 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -19.034 -4.628 -13.726 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.242 -2.652 -13.150 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.623 -2.719 -12.481 1.00 1.45 H new ATOM 160 N THR A 12 -22.135 -2.882 -16.945 1.00 1.33 N ATOM 161 CA THR A 12 -23.340 -2.421 -17.627 1.00 1.44 C ATOM 162 C THR A 12 -24.602 -3.009 -17.006 1.00 1.40 C ATOM 163 O THR A 12 -25.563 -2.293 -16.717 1.00 1.90 O ATOM 164 CB THR A 12 -23.311 -2.796 -19.121 1.00 1.69 C ATOM 165 OG1 THR A 12 -22.100 -3.503 -19.430 1.00 1.79 O ATOM 166 CG2 THR A 12 -23.420 -1.555 -19.996 1.00 2.04 C ATOM 0 H THR A 12 -22.029 -3.896 -16.907 1.00 1.33 H new ATOM 0 HA THR A 12 -23.359 -1.337 -17.518 1.00 1.44 H new ATOM 0 HB THR A 12 -24.167 -3.440 -19.325 1.00 1.69 H new ATOM 0 HG1 THR A 12 -22.092 -3.738 -20.381 1.00 1.79 H new ATOM 0 HG21 THR A 12 -23.397 -1.847 -21.046 1.00 2.04 H new ATOM 0 HG22 THR A 12 -24.357 -1.041 -19.783 1.00 2.04 H new ATOM 0 HG23 THR A 12 -22.584 -0.888 -19.787 1.00 2.04 H new ATOM 174 N ASN A 13 -24.587 -4.314 -16.795 1.00 1.11 N ATOM 175 CA ASN A 13 -25.771 -5.034 -16.358 1.00 1.23 C ATOM 176 C ASN A 13 -25.737 -5.252 -14.849 1.00 1.03 C ATOM 177 O ASN A 13 -24.724 -5.678 -14.289 1.00 1.32 O ATOM 178 CB ASN A 13 -25.871 -6.363 -17.124 1.00 1.71 C ATOM 179 CG ASN A 13 -26.642 -7.442 -16.392 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.743 -7.213 -15.892 1.00 2.19 O ATOM 181 ND2 ASN A 13 -26.061 -8.631 -16.324 1.00 2.24 N ATOM 0 H ASN A 13 -23.762 -4.900 -16.920 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.661 -4.444 -16.577 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -26.348 -6.180 -18.087 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.865 -6.727 -17.331 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -26.528 -9.400 -15.843 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -25.147 -8.777 -16.753 1.00 2.24 H new ATOM 188 N ALA A 14 -26.855 -4.951 -14.199 1.00 1.04 N ATOM 189 CA ALA A 14 -26.956 -5.016 -12.746 1.00 1.05 C ATOM 190 C ALA A 14 -26.729 -6.430 -12.220 1.00 0.96 C ATOM 191 O ALA A 14 -26.298 -6.610 -11.082 1.00 0.91 O ATOM 192 CB ALA A 14 -28.311 -4.491 -12.291 1.00 1.42 C ATOM 0 H ALA A 14 -27.714 -4.656 -14.662 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.169 -4.386 -12.332 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.376 -4.544 -11.204 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.426 -3.455 -12.611 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.103 -5.097 -12.732 1.00 1.42 H new ATOM 198 N VAL A 15 -27.010 -7.430 -13.046 1.00 1.05 N ATOM 199 CA VAL A 15 -26.840 -8.820 -12.643 1.00 1.12 C ATOM 200 C VAL A 15 -25.360 -9.174 -12.513 1.00 0.97 C ATOM 201 O VAL A 15 -24.937 -9.738 -11.504 1.00 0.96 O ATOM 202 CB VAL A 15 -27.516 -9.787 -13.633 1.00 1.38 C ATOM 203 CG1 VAL A 15 -27.387 -11.227 -13.158 1.00 1.45 C ATOM 204 CG2 VAL A 15 -28.976 -9.414 -13.825 1.00 1.99 C ATOM 0 H VAL A 15 -27.356 -7.305 -13.997 1.00 1.05 H new ATOM 0 HA VAL A 15 -27.322 -8.930 -11.671 1.00 1.12 H new ATOM 0 HB VAL A 15 -27.009 -9.702 -14.594 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -27.872 -11.891 -13.874 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -26.332 -11.490 -13.076 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -27.864 -11.333 -12.184 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -29.439 -10.107 -14.527 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -29.494 -9.467 -12.868 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -29.044 -8.400 -14.218 1.00 1.99 H new ATOM 214 N GLU A 16 -24.571 -8.822 -13.525 1.00 0.95 N ATOM 215 CA GLU A 16 -23.142 -9.120 -13.507 1.00 0.94 C ATOM 216 C GLU A 16 -22.441 -8.296 -12.425 1.00 0.83 C ATOM 217 O GLU A 16 -21.480 -8.752 -11.805 1.00 0.86 O ATOM 218 CB GLU A 16 -22.511 -8.881 -14.890 1.00 1.06 C ATOM 219 CG GLU A 16 -22.135 -7.432 -15.170 1.00 1.37 C ATOM 220 CD GLU A 16 -22.551 -6.972 -16.554 1.00 1.45 C ATOM 221 OE1 GLU A 16 -23.103 -7.785 -17.322 1.00 1.93 O ATOM 222 OE2 GLU A 16 -22.335 -5.785 -16.882 1.00 1.53 O ATOM 0 H GLU A 16 -24.893 -8.334 -14.361 1.00 0.95 H new ATOM 0 HA GLU A 16 -23.012 -10.175 -13.267 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -21.618 -9.499 -14.980 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -23.209 -9.217 -15.657 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -22.602 -6.790 -14.423 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -21.057 -7.314 -15.062 1.00 1.37 H new ATOM 229 N SER A 17 -22.956 -7.093 -12.186 1.00 0.83 N ATOM 230 CA SER A 17 -22.436 -6.235 -11.131 1.00 0.89 C ATOM 231 C SER A 17 -22.775 -6.819 -9.761 1.00 0.85 C ATOM 232 O SER A 17 -21.982 -6.738 -8.822 1.00 0.88 O ATOM 233 CB SER A 17 -23.017 -4.825 -11.264 1.00 1.09 C ATOM 234 OG SER A 17 -22.997 -4.388 -12.615 1.00 1.48 O ATOM 0 H SER A 17 -23.734 -6.692 -12.710 1.00 0.83 H new ATOM 0 HA SER A 17 -21.352 -6.178 -11.228 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.041 -4.814 -10.890 1.00 1.09 H new ATOM 0 HB3 SER A 17 -22.445 -4.133 -10.646 1.00 1.09 H new ATOM 0 HG SER A 17 -23.739 -4.802 -13.104 1.00 1.48 H new ATOM 240 N LYS A 18 -23.953 -7.427 -9.665 1.00 0.85 N ATOM 241 CA LYS A 18 -24.408 -8.034 -8.423 1.00 0.92 C ATOM 242 C LYS A 18 -23.517 -9.206 -8.038 1.00 0.84 C ATOM 243 O LYS A 18 -23.167 -9.370 -6.872 1.00 0.85 O ATOM 244 CB LYS A 18 -25.856 -8.510 -8.563 1.00 1.07 C ATOM 245 CG LYS A 18 -26.580 -8.681 -7.240 1.00 1.38 C ATOM 246 CD LYS A 18 -27.558 -9.845 -7.288 1.00 1.76 C ATOM 247 CE LYS A 18 -28.950 -9.392 -7.703 1.00 2.42 C ATOM 248 NZ LYS A 18 -29.972 -10.438 -7.446 1.00 2.96 N ATOM 0 H LYS A 18 -24.612 -7.512 -10.439 1.00 0.85 H new ATOM 0 HA LYS A 18 -24.354 -7.280 -7.638 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.405 -7.795 -9.176 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.865 -9.461 -9.096 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -25.853 -8.847 -6.445 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -27.116 -7.764 -6.996 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.195 -10.597 -7.989 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.607 -10.320 -6.308 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -29.214 -8.485 -7.159 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -28.948 -9.139 -8.763 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -30.906 -10.091 -7.742 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -29.735 -11.295 -7.985 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -29.992 -10.662 -6.431 1.00 2.96 H new ATOM 262 N LEU A 19 -23.150 -10.010 -9.031 1.00 0.82 N ATOM 263 CA LEU A 19 -22.300 -11.172 -8.804 1.00 0.84 C ATOM 264 C LEU A 19 -20.954 -10.749 -8.227 1.00 0.80 C ATOM 265 O LEU A 19 -20.475 -11.324 -7.250 1.00 0.82 O ATOM 266 CB LEU A 19 -22.092 -11.942 -10.109 1.00 0.96 C ATOM 267 CG LEU A 19 -22.514 -13.408 -10.069 1.00 1.16 C ATOM 268 CD1 LEU A 19 -23.699 -13.647 -10.993 1.00 1.73 C ATOM 269 CD2 LEU A 19 -21.348 -14.303 -10.452 1.00 1.81 C ATOM 0 H LEU A 19 -23.429 -9.877 -10.003 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.797 -11.823 -8.085 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -22.649 -11.441 -10.901 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -21.037 -11.891 -10.379 1.00 0.96 H new ATOM 0 HG LEU A 19 -22.819 -13.654 -9.052 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -23.986 -14.698 -10.952 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -24.538 -13.028 -10.676 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -23.422 -13.386 -12.015 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -21.664 -15.346 -10.419 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -21.016 -14.056 -11.460 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -20.527 -14.150 -9.752 1.00 1.81 H new ATOM 281 N ALA A 20 -20.360 -9.725 -8.824 1.00 0.82 N ATOM 282 CA ALA A 20 -19.072 -9.222 -8.374 1.00 0.91 C ATOM 283 C ALA A 20 -19.165 -8.643 -6.964 1.00 0.84 C ATOM 284 O ALA A 20 -18.311 -8.903 -6.120 1.00 0.87 O ATOM 285 CB ALA A 20 -18.552 -8.173 -9.342 1.00 1.08 C ATOM 0 H ALA A 20 -20.752 -9.226 -9.623 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.374 -10.058 -8.347 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.587 -7.804 -8.995 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.436 -8.616 -10.331 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.259 -7.345 -9.396 1.00 1.08 H new ATOM 291 N GLU A 21 -20.214 -7.868 -6.712 1.00 0.85 N ATOM 292 CA GLU A 21 -20.381 -7.195 -5.431 1.00 0.94 C ATOM 293 C GLU A 21 -20.645 -8.188 -4.302 1.00 0.84 C ATOM 294 O GLU A 21 -20.119 -8.033 -3.201 1.00 0.85 O ATOM 295 CB GLU A 21 -21.517 -6.176 -5.511 1.00 1.13 C ATOM 296 CG GLU A 21 -21.043 -4.735 -5.411 1.00 1.72 C ATOM 297 CD GLU A 21 -21.355 -4.101 -4.070 1.00 2.05 C ATOM 298 OE1 GLU A 21 -21.966 -4.771 -3.211 1.00 2.14 O ATOM 299 OE2 GLU A 21 -20.999 -2.921 -3.869 1.00 2.69 O ATOM 0 H GLU A 21 -20.963 -7.690 -7.381 1.00 0.85 H new ATOM 0 HA GLU A 21 -19.449 -6.677 -5.207 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -22.051 -6.311 -6.452 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -22.229 -6.373 -4.710 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -19.967 -4.699 -5.582 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -21.511 -4.149 -6.202 1.00 1.72 H new ATOM 306 N ILE A 22 -21.455 -9.207 -4.569 1.00 0.83 N ATOM 307 CA ILE A 22 -21.793 -10.185 -3.543 1.00 0.91 C ATOM 308 C ILE A 22 -20.617 -11.129 -3.277 1.00 0.82 C ATOM 309 O ILE A 22 -20.340 -11.481 -2.124 1.00 0.86 O ATOM 310 CB ILE A 22 -23.082 -10.978 -3.908 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.788 -11.474 -2.635 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.801 -12.133 -4.866 1.00 1.40 C ATOM 313 CD1 ILE A 22 -23.380 -12.865 -2.183 1.00 1.91 C ATOM 0 H ILE A 22 -21.886 -9.376 -5.478 1.00 0.83 H new ATOM 0 HA ILE A 22 -22.000 -9.638 -2.623 1.00 0.91 H new ATOM 0 HB ILE A 22 -23.748 -10.292 -4.432 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.587 -10.771 -1.827 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -24.865 -11.464 -2.806 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -23.732 -12.655 -5.090 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -22.372 -11.744 -5.789 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.098 -12.826 -4.404 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -23.929 -13.129 -1.279 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -23.608 -13.585 -2.969 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -22.310 -12.881 -1.976 1.00 1.91 H new ATOM 325 N TRP A 23 -19.904 -11.508 -4.335 1.00 0.79 N ATOM 326 CA TRP A 23 -18.744 -12.374 -4.202 1.00 0.84 C ATOM 327 C TRP A 23 -17.635 -11.653 -3.454 1.00 0.82 C ATOM 328 O TRP A 23 -17.038 -12.196 -2.524 1.00 0.94 O ATOM 329 CB TRP A 23 -18.241 -12.820 -5.575 1.00 0.90 C ATOM 330 CG TRP A 23 -18.591 -14.237 -5.905 1.00 0.98 C ATOM 331 CD1 TRP A 23 -19.716 -14.676 -6.542 1.00 1.26 C ATOM 332 CD2 TRP A 23 -17.808 -15.402 -5.616 1.00 0.95 C ATOM 333 NE1 TRP A 23 -19.678 -16.042 -6.672 1.00 1.33 N ATOM 334 CE2 TRP A 23 -18.518 -16.512 -6.113 1.00 1.14 C ATOM 335 CE3 TRP A 23 -16.575 -15.617 -4.989 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -18.037 -17.814 -6.002 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -16.100 -16.911 -4.882 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.829 -17.994 -5.388 1.00 1.24 C ATOM 0 H TRP A 23 -20.113 -11.227 -5.293 1.00 0.79 H new ATOM 0 HA TRP A 23 -19.040 -13.258 -3.637 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -18.659 -12.163 -6.338 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -17.158 -12.703 -5.613 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -20.517 -14.042 -6.892 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -20.397 -16.615 -7.113 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -16.005 -14.788 -4.596 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -18.599 -18.652 -6.387 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -15.150 -17.090 -4.400 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -16.429 -18.992 -5.291 1.00 1.24 H new ATOM 349 N GLU A 24 -17.395 -10.406 -3.830 1.00 0.80 N ATOM 350 CA GLU A 24 -16.343 -9.621 -3.207 1.00 0.93 C ATOM 351 C GLU A 24 -16.825 -8.979 -1.909 1.00 0.90 C ATOM 352 O GLU A 24 -16.245 -8.004 -1.419 1.00 1.04 O ATOM 353 CB GLU A 24 -15.812 -8.563 -4.172 1.00 1.20 C ATOM 354 CG GLU A 24 -14.322 -8.703 -4.434 1.00 1.75 C ATOM 355 CD GLU A 24 -13.521 -8.790 -3.152 1.00 2.29 C ATOM 356 OE1 GLU A 24 -13.508 -9.875 -2.541 1.00 2.78 O ATOM 357 OE2 GLU A 24 -12.881 -7.788 -2.769 1.00 2.65 O ATOM 0 H GLU A 24 -17.913 -9.918 -4.561 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.525 -10.298 -2.959 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -16.351 -8.635 -5.117 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -16.014 -7.572 -3.765 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -14.143 -9.595 -5.034 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -13.976 -7.851 -5.019 1.00 1.75 H new ATOM 364 N ARG A 25 -17.898 -9.523 -1.363 1.00 0.97 N ATOM 365 CA ARG A 25 -18.349 -9.161 -0.033 1.00 1.16 C ATOM 366 C ARG A 25 -18.353 -10.397 0.850 1.00 1.21 C ATOM 367 O ARG A 25 -18.679 -10.332 2.034 1.00 1.50 O ATOM 368 CB ARG A 25 -19.750 -8.545 -0.079 1.00 1.41 C ATOM 369 CG ARG A 25 -19.782 -7.054 0.226 1.00 1.99 C ATOM 370 CD ARG A 25 -18.537 -6.597 0.972 1.00 2.67 C ATOM 371 NE ARG A 25 -17.607 -5.882 0.098 1.00 3.12 N ATOM 372 CZ ARG A 25 -17.512 -4.552 0.051 1.00 3.67 C ATOM 373 NH1 ARG A 25 -18.247 -3.806 0.865 1.00 3.90 N ATOM 374 NH2 ARG A 25 -16.667 -3.973 -0.792 1.00 4.40 N ATOM 0 H ARG A 25 -18.477 -10.223 -1.826 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.666 -8.417 0.379 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.177 -8.712 -1.068 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.388 -9.065 0.636 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -19.872 -6.495 -0.706 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.666 -6.825 0.821 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -18.827 -5.950 1.800 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -18.035 -7.463 1.405 1.00 2.67 H new ATOM 0 HE ARG A 25 -16.998 -6.430 -0.509 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -18.884 -4.249 1.527 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -18.175 -2.789 0.829 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -16.088 -4.545 -1.407 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -16.597 -2.956 -0.826 1.00 4.40 H new ATOM 388 N VAL A 26 -17.979 -11.529 0.264 1.00 1.11 N ATOM 389 CA VAL A 26 -17.985 -12.791 0.984 1.00 1.34 C ATOM 390 C VAL A 26 -16.638 -13.520 0.871 1.00 1.36 C ATOM 391 O VAL A 26 -16.281 -14.315 1.742 1.00 1.78 O ATOM 392 CB VAL A 26 -19.145 -13.696 0.492 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.686 -14.703 -0.558 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.802 -14.403 1.666 1.00 1.66 C ATOM 0 H VAL A 26 -17.669 -11.596 -0.705 1.00 1.11 H new ATOM 0 HA VAL A 26 -18.144 -12.566 2.039 1.00 1.34 H new ATOM 0 HB VAL A 26 -19.880 -13.049 0.013 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.533 -15.313 -0.871 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -18.283 -14.172 -1.420 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -17.914 -15.345 -0.134 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.614 -15.034 1.303 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.064 -15.020 2.178 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.200 -13.663 2.360 1.00 1.66 H new ATOM 404 N LEU A 27 -15.890 -13.240 -0.194 1.00 1.20 N ATOM 405 CA LEU A 27 -14.606 -13.895 -0.414 1.00 1.40 C ATOM 406 C LEU A 27 -13.457 -13.075 0.166 1.00 1.42 C ATOM 407 O LEU A 27 -12.974 -13.363 1.265 1.00 1.89 O ATOM 408 CB LEU A 27 -14.383 -14.142 -1.908 1.00 1.51 C ATOM 409 CG LEU A 27 -13.334 -15.207 -2.235 1.00 2.02 C ATOM 410 CD1 LEU A 27 -13.879 -16.600 -1.966 1.00 2.17 C ATOM 411 CD2 LEU A 27 -12.883 -15.077 -3.679 1.00 2.85 C ATOM 0 H LEU A 27 -16.151 -12.567 -0.914 1.00 1.20 H new ATOM 0 HA LEU A 27 -14.627 -14.854 0.103 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -15.331 -14.436 -2.358 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -14.085 -13.204 -2.376 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.471 -15.051 -1.588 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -13.117 -17.341 -2.205 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.152 -16.687 -0.914 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -14.759 -16.772 -2.585 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -12.137 -15.841 -3.897 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.739 -15.207 -4.341 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -12.449 -14.090 -3.837 1.00 2.85 H new ATOM 423 N GLY A 28 -13.013 -12.063 -0.571 1.00 1.29 N ATOM 424 CA GLY A 28 -11.925 -11.229 -0.102 1.00 1.52 C ATOM 425 C GLY A 28 -12.428 -10.073 0.731 1.00 1.37 C ATOM 426 O GLY A 28 -11.826 -9.719 1.748 1.00 1.73 O ATOM 0 H GLY A 28 -13.388 -11.806 -1.484 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.234 -11.830 0.489 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -11.365 -10.846 -0.956 1.00 1.52 H new ATOM 430 N VAL A 29 -13.544 -9.495 0.290 1.00 1.31 N ATOM 431 CA VAL A 29 -14.210 -8.403 0.998 1.00 1.31 C ATOM 432 C VAL A 29 -13.380 -7.122 0.916 1.00 1.43 C ATOM 433 O VAL A 29 -13.042 -6.502 1.926 1.00 1.90 O ATOM 434 CB VAL A 29 -14.519 -8.749 2.481 1.00 1.49 C ATOM 435 CG1 VAL A 29 -15.511 -7.757 3.075 1.00 1.78 C ATOM 436 CG2 VAL A 29 -15.062 -10.167 2.611 1.00 1.92 C ATOM 0 H VAL A 29 -14.014 -9.772 -0.572 1.00 1.31 H new ATOM 0 HA VAL A 29 -15.167 -8.246 0.500 1.00 1.31 H new ATOM 0 HB VAL A 29 -13.583 -8.683 3.036 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -15.711 -8.020 4.114 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -15.092 -6.752 3.030 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -16.441 -7.788 2.507 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -15.270 -10.382 3.659 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -15.981 -10.259 2.033 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -14.324 -10.875 2.234 1.00 1.92 H new ATOM 446 N SER A 30 -13.030 -6.749 -0.305 1.00 1.40 N ATOM 447 CA SER A 30 -12.358 -5.485 -0.565 1.00 1.56 C ATOM 448 C SER A 30 -13.223 -4.618 -1.479 1.00 1.53 C ATOM 449 O SER A 30 -13.271 -3.397 -1.341 1.00 2.21 O ATOM 450 CB SER A 30 -10.988 -5.735 -1.203 1.00 1.76 C ATOM 451 OG SER A 30 -10.715 -7.125 -1.301 1.00 1.94 O ATOM 0 H SER A 30 -13.202 -7.310 -1.139 1.00 1.40 H new ATOM 0 HA SER A 30 -12.207 -4.961 0.379 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.958 -5.285 -2.195 1.00 1.76 H new ATOM 0 HB3 SER A 30 -10.213 -5.250 -0.609 1.00 1.76 H new ATOM 0 HG SER A 30 -11.284 -7.522 -1.993 1.00 1.94 H new ATOM 457 N GLY A 31 -13.911 -5.269 -2.409 1.00 1.30 N ATOM 458 CA GLY A 31 -14.811 -4.563 -3.302 1.00 1.27 C ATOM 459 C GLY A 31 -14.178 -4.269 -4.643 1.00 1.21 C ATOM 460 O GLY A 31 -14.323 -3.170 -5.177 1.00 1.58 O ATOM 0 H GLY A 31 -13.862 -6.276 -2.561 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -15.712 -5.158 -3.451 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -15.121 -3.627 -2.836 1.00 1.27 H new ATOM 464 N ILE A 32 -13.472 -5.248 -5.180 1.00 1.13 N ATOM 465 CA ILE A 32 -12.801 -5.089 -6.461 1.00 1.29 C ATOM 466 C ILE A 32 -13.731 -5.448 -7.619 1.00 1.38 C ATOM 467 O ILE A 32 -14.323 -4.570 -8.248 1.00 2.01 O ATOM 468 CB ILE A 32 -11.528 -5.953 -6.542 1.00 1.71 C ATOM 469 CG1 ILE A 32 -10.904 -6.122 -5.156 1.00 2.68 C ATOM 470 CG2 ILE A 32 -10.528 -5.325 -7.495 1.00 2.03 C ATOM 471 CD1 ILE A 32 -10.109 -7.400 -5.002 1.00 3.56 C ATOM 0 H ILE A 32 -13.347 -6.164 -4.749 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.518 -4.039 -6.542 1.00 1.29 H new ATOM 0 HB ILE A 32 -11.802 -6.938 -6.919 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.252 -5.272 -4.954 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -11.695 -6.103 -4.406 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -9.633 -5.945 -7.544 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -10.971 -5.248 -8.488 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -10.261 -4.330 -7.139 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -9.696 -7.452 -3.995 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -10.761 -8.257 -5.172 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -9.296 -7.413 -5.728 1.00 3.56 H new ATOM 483 N GLY A 33 -13.863 -6.742 -7.888 1.00 1.59 N ATOM 484 CA GLY A 33 -14.686 -7.194 -8.996 1.00 1.93 C ATOM 485 C GLY A 33 -13.954 -7.078 -10.318 1.00 1.81 C ATOM 486 O GLY A 33 -13.587 -8.080 -10.929 1.00 2.28 O ATOM 0 H GLY A 33 -13.414 -7.488 -7.357 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -14.980 -8.231 -8.832 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -15.602 -6.605 -9.034 1.00 1.93 H new ATOM 490 N ILE A 34 -13.740 -5.848 -10.755 1.00 1.73 N ATOM 491 CA ILE A 34 -12.944 -5.582 -11.940 1.00 1.78 C ATOM 492 C ILE A 34 -11.615 -4.994 -11.496 1.00 1.93 C ATOM 493 O ILE A 34 -11.555 -4.354 -10.445 1.00 2.58 O ATOM 494 CB ILE A 34 -13.643 -4.616 -12.923 1.00 1.94 C ATOM 495 CG1 ILE A 34 -15.166 -4.619 -12.709 1.00 2.07 C ATOM 496 CG2 ILE A 34 -13.301 -4.992 -14.359 1.00 2.43 C ATOM 497 CD1 ILE A 34 -15.878 -5.811 -13.322 1.00 2.67 C ATOM 0 H ILE A 34 -14.110 -5.012 -10.302 1.00 1.73 H new ATOM 0 HA ILE A 34 -12.801 -6.521 -12.475 1.00 1.78 H new ATOM 0 HB ILE A 34 -13.281 -3.606 -12.730 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -15.371 -4.598 -11.639 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -15.583 -3.705 -13.131 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -13.799 -4.305 -15.043 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -12.222 -4.931 -14.504 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -13.637 -6.010 -14.558 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -16.948 -5.736 -13.126 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -15.707 -5.823 -14.398 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -15.492 -6.731 -12.883 1.00 2.67 H new ATOM 509 N LEU A 35 -10.566 -5.204 -12.294 1.00 1.70 N ATOM 510 CA LEU A 35 -9.192 -4.902 -11.881 1.00 1.89 C ATOM 511 C LEU A 35 -8.800 -5.871 -10.775 1.00 1.85 C ATOM 512 O LEU A 35 -8.205 -5.496 -9.764 1.00 2.19 O ATOM 513 CB LEU A 35 -9.038 -3.446 -11.411 1.00 2.03 C ATOM 514 CG LEU A 35 -8.076 -2.581 -12.230 1.00 1.96 C ATOM 515 CD1 LEU A 35 -6.641 -3.045 -12.039 1.00 2.44 C ATOM 516 CD2 LEU A 35 -8.458 -2.604 -13.702 1.00 2.46 C ATOM 0 H LEU A 35 -10.642 -5.585 -13.237 1.00 1.70 H new ATOM 0 HA LEU A 35 -8.530 -5.021 -12.739 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.021 -2.974 -11.422 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -8.699 -3.452 -10.375 1.00 2.03 H new ATOM 0 HG LEU A 35 -8.151 -1.554 -11.873 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -5.974 -2.417 -12.630 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -6.372 -2.970 -10.985 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -6.547 -4.081 -12.365 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -7.763 -1.984 -14.268 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -8.415 -3.628 -14.073 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -9.470 -2.217 -13.821 1.00 2.46 H new ATOM 528 N ASP A 36 -9.148 -7.131 -11.006 1.00 1.95 N ATOM 529 CA ASP A 36 -9.009 -8.188 -10.013 1.00 2.14 C ATOM 530 C ASP A 36 -7.548 -8.547 -9.763 1.00 1.49 C ATOM 531 O ASP A 36 -6.643 -8.054 -10.441 1.00 1.80 O ATOM 532 CB ASP A 36 -9.767 -9.432 -10.484 1.00 3.20 C ATOM 533 CG ASP A 36 -10.331 -10.259 -9.346 1.00 3.75 C ATOM 534 OD1 ASP A 36 -9.549 -10.723 -8.488 1.00 4.01 O ATOM 535 OD2 ASP A 36 -11.554 -10.488 -9.333 1.00 4.20 O ATOM 0 H ASP A 36 -9.537 -7.450 -11.893 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.427 -7.822 -9.075 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -10.582 -9.125 -11.139 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -9.097 -10.054 -11.078 1.00 3.20 H new ATOM 540 N ASN A 37 -7.331 -9.420 -8.792 1.00 1.38 N ATOM 541 CA ASN A 37 -5.994 -9.874 -8.446 1.00 1.74 C ATOM 542 C ASN A 37 -5.989 -11.365 -8.113 1.00 1.40 C ATOM 543 O ASN A 37 -4.927 -11.968 -7.952 1.00 1.90 O ATOM 544 CB ASN A 37 -5.445 -9.069 -7.260 1.00 2.65 C ATOM 545 CG ASN A 37 -3.940 -8.873 -7.330 1.00 3.55 C ATOM 546 OD1 ASN A 37 -3.286 -9.308 -8.279 1.00 4.12 O ATOM 547 ND2 ASN A 37 -3.381 -8.204 -6.334 1.00 4.13 N ATOM 0 H ASN A 37 -8.072 -9.832 -8.225 1.00 1.38 H new ATOM 0 HA ASN A 37 -5.351 -9.714 -9.312 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -5.933 -8.095 -7.231 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -5.698 -9.580 -6.331 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -2.375 -8.033 -6.335 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -3.956 -7.859 -5.565 1.00 4.13 H new ATOM 554 N PHE A 38 -7.174 -11.973 -8.020 1.00 1.23 N ATOM 555 CA PHE A 38 -7.261 -13.383 -7.649 1.00 1.41 C ATOM 556 C PHE A 38 -8.452 -14.100 -8.295 1.00 1.51 C ATOM 557 O PHE A 38 -8.358 -15.285 -8.622 1.00 2.27 O ATOM 558 CB PHE A 38 -7.327 -13.538 -6.122 1.00 1.89 C ATOM 559 CG PHE A 38 -8.345 -12.659 -5.441 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.648 -13.094 -5.260 1.00 1.78 C ATOM 561 CD2 PHE A 38 -8.000 -11.393 -4.993 1.00 1.62 C ATOM 562 CE1 PHE A 38 -10.585 -12.287 -4.645 1.00 1.88 C ATOM 563 CE2 PHE A 38 -8.934 -10.582 -4.375 1.00 2.03 C ATOM 564 CZ PHE A 38 -10.219 -11.044 -4.169 1.00 1.97 C ATOM 0 H PHE A 38 -8.071 -11.519 -8.193 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.355 -13.856 -8.029 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -7.550 -14.578 -5.886 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -6.343 -13.320 -5.706 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -9.935 -14.077 -5.604 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -6.990 -11.036 -5.128 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -11.604 -12.628 -4.537 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -8.659 -9.588 -4.054 1.00 2.03 H new ATOM 0 HZ PHE A 38 -10.935 -10.435 -3.637 1.00 1.97 H new ATOM 574 N PHE A 39 -9.564 -13.403 -8.487 1.00 1.24 N ATOM 575 CA PHE A 39 -10.778 -14.049 -8.972 1.00 1.51 C ATOM 576 C PHE A 39 -10.932 -13.897 -10.484 1.00 1.25 C ATOM 577 O PHE A 39 -10.540 -14.781 -11.248 1.00 1.22 O ATOM 578 CB PHE A 39 -12.007 -13.485 -8.253 1.00 2.01 C ATOM 579 CG PHE A 39 -13.189 -14.410 -8.271 1.00 1.77 C ATOM 580 CD1 PHE A 39 -13.084 -15.702 -7.784 1.00 1.63 C ATOM 581 CD2 PHE A 39 -14.407 -13.986 -8.775 1.00 1.94 C ATOM 582 CE1 PHE A 39 -14.171 -16.553 -7.800 1.00 1.63 C ATOM 583 CE2 PHE A 39 -15.498 -14.831 -8.795 1.00 1.93 C ATOM 584 CZ PHE A 39 -15.380 -16.117 -8.307 1.00 1.75 C ATOM 0 H PHE A 39 -9.652 -12.401 -8.317 1.00 1.24 H new ATOM 0 HA PHE A 39 -10.695 -15.113 -8.752 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -11.744 -13.265 -7.218 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.288 -12.540 -8.718 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -12.141 -16.048 -7.387 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.505 -12.981 -9.158 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -14.076 -17.558 -7.417 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -16.442 -14.487 -9.191 1.00 1.93 H new ATOM 0 HZ PHE A 39 -16.231 -16.781 -8.322 1.00 1.75 H new ATOM 594 N GLN A 40 -11.469 -12.758 -10.907 1.00 1.25 N ATOM 595 CA GLN A 40 -11.807 -12.522 -12.311 1.00 1.25 C ATOM 596 C GLN A 40 -10.586 -12.641 -13.222 1.00 1.28 C ATOM 597 O GLN A 40 -10.707 -13.010 -14.388 1.00 1.93 O ATOM 598 CB GLN A 40 -12.439 -11.138 -12.471 1.00 1.46 C ATOM 599 CG GLN A 40 -13.947 -11.169 -12.654 1.00 1.85 C ATOM 600 CD GLN A 40 -14.693 -11.496 -11.370 1.00 1.75 C ATOM 601 OE1 GLN A 40 -15.708 -12.191 -11.389 1.00 2.39 O ATOM 602 NE2 GLN A 40 -14.199 -11.001 -10.244 1.00 1.80 N ATOM 0 H GLN A 40 -11.683 -11.973 -10.291 1.00 1.25 H new ATOM 0 HA GLN A 40 -12.520 -13.291 -12.610 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -12.201 -10.537 -11.593 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -11.988 -10.640 -13.330 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -14.283 -10.201 -13.027 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -14.200 -11.908 -13.414 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -13.355 -10.428 -10.266 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.663 -11.193 -9.356 1.00 1.80 H new ATOM 611 N ILE A 41 -9.410 -12.332 -12.690 1.00 1.12 N ATOM 612 CA ILE A 41 -8.186 -12.380 -13.481 1.00 1.27 C ATOM 613 C ILE A 41 -7.226 -13.454 -12.965 1.00 1.35 C ATOM 614 O ILE A 41 -6.164 -13.687 -13.545 1.00 1.77 O ATOM 615 CB ILE A 41 -7.491 -10.996 -13.502 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.822 -10.762 -14.856 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.480 -10.855 -12.369 1.00 2.27 C ATOM 618 CD1 ILE A 41 -7.807 -10.527 -15.985 1.00 3.23 C ATOM 0 H ILE A 41 -9.278 -12.047 -11.720 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.465 -12.644 -14.501 1.00 1.27 H new ATOM 0 HB ILE A 41 -8.257 -10.235 -13.350 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -6.157 -9.902 -14.780 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -6.201 -11.624 -15.100 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.014 -9.871 -12.418 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.988 -10.969 -11.412 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -5.714 -11.624 -12.467 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -7.262 -10.368 -16.916 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -8.456 -11.396 -16.088 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -8.411 -9.647 -15.764 1.00 3.23 H new ATOM 630 N GLY A 42 -7.617 -14.125 -11.892 1.00 1.60 N ATOM 631 CA GLY A 42 -6.733 -15.086 -11.265 1.00 1.96 C ATOM 632 C GLY A 42 -6.934 -16.492 -11.787 1.00 1.64 C ATOM 633 O GLY A 42 -6.377 -16.864 -12.824 1.00 2.06 O ATOM 0 H GLY A 42 -8.528 -14.022 -11.445 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -5.699 -14.785 -11.432 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -6.898 -15.076 -10.188 1.00 1.96 H new ATOM 637 N GLY A 43 -7.731 -17.274 -11.076 1.00 1.60 N ATOM 638 CA GLY A 43 -7.953 -18.648 -11.464 1.00 1.92 C ATOM 639 C GLY A 43 -9.001 -19.327 -10.608 1.00 1.62 C ATOM 640 O GLY A 43 -10.016 -18.723 -10.268 1.00 2.17 O ATOM 0 H GLY A 43 -8.228 -16.980 -10.236 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -8.263 -18.682 -12.508 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -7.015 -19.199 -11.391 1.00 1.92 H new ATOM 644 N HIS A 44 -8.744 -20.571 -10.234 1.00 1.25 N ATOM 645 CA HIS A 44 -9.722 -21.356 -9.490 1.00 1.22 C ATOM 646 C HIS A 44 -9.445 -21.313 -7.993 1.00 1.13 C ATOM 647 O HIS A 44 -8.351 -21.651 -7.535 1.00 1.36 O ATOM 648 CB HIS A 44 -9.776 -22.815 -9.986 1.00 1.54 C ATOM 649 CG HIS A 44 -8.447 -23.512 -10.075 1.00 1.39 C ATOM 650 ND1 HIS A 44 -7.834 -24.120 -8.999 1.00 1.94 N ATOM 651 CD2 HIS A 44 -7.627 -23.714 -11.130 1.00 1.92 C ATOM 652 CE1 HIS A 44 -6.697 -24.661 -9.391 1.00 2.26 C ATOM 653 NE2 HIS A 44 -6.547 -24.433 -10.681 1.00 2.26 N ATOM 0 H HIS A 44 -7.870 -21.059 -10.432 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.697 -20.903 -9.670 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -10.423 -23.385 -9.319 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -10.242 -22.830 -10.971 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -7.791 -23.372 -12.141 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -6.005 -25.200 -8.761 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -5.759 -24.740 -11.251 1.00 2.26 H new ATOM 662 N SER A 45 -10.441 -20.870 -7.239 1.00 1.01 N ATOM 663 CA SER A 45 -10.371 -20.861 -5.789 1.00 1.10 C ATOM 664 C SER A 45 -10.677 -22.254 -5.243 1.00 1.13 C ATOM 665 O SER A 45 -10.915 -23.189 -6.008 1.00 1.31 O ATOM 666 CB SER A 45 -11.371 -19.842 -5.247 1.00 1.19 C ATOM 667 OG SER A 45 -12.273 -19.435 -6.267 1.00 1.19 O ATOM 0 H SER A 45 -11.317 -20.508 -7.616 1.00 1.01 H new ATOM 0 HA SER A 45 -9.367 -20.582 -5.471 1.00 1.10 H new ATOM 0 HB2 SER A 45 -11.926 -20.276 -4.415 1.00 1.19 H new ATOM 0 HB3 SER A 45 -10.839 -18.974 -4.857 1.00 1.19 H new ATOM 0 HG SER A 45 -12.908 -18.784 -5.902 1.00 1.19 H new ATOM 673 N LEU A 46 -10.689 -22.395 -3.928 1.00 1.21 N ATOM 674 CA LEU A 46 -10.955 -23.685 -3.303 1.00 1.32 C ATOM 675 C LEU A 46 -12.451 -23.880 -3.069 1.00 1.35 C ATOM 676 O LEU A 46 -12.874 -24.319 -2.001 1.00 1.77 O ATOM 677 CB LEU A 46 -10.200 -23.789 -1.976 1.00 1.50 C ATOM 678 CG LEU A 46 -9.944 -22.457 -1.265 1.00 1.83 C ATOM 679 CD1 LEU A 46 -11.017 -22.191 -0.221 1.00 2.37 C ATOM 680 CD2 LEU A 46 -8.566 -22.447 -0.627 1.00 2.35 C ATOM 0 H LEU A 46 -10.518 -21.634 -3.271 1.00 1.21 H new ATOM 0 HA LEU A 46 -10.609 -24.469 -3.976 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -10.764 -24.438 -1.306 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -9.242 -24.275 -2.159 1.00 1.50 H new ATOM 0 HG LEU A 46 -9.984 -21.661 -2.008 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -10.817 -21.240 0.273 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -11.993 -22.150 -0.705 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -11.012 -22.992 0.519 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -8.403 -21.492 -0.127 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -8.497 -23.255 0.102 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -7.807 -22.587 -1.397 1.00 2.35 H new ATOM 692 N LYS A 47 -13.250 -23.567 -4.077 1.00 1.23 N ATOM 693 CA LYS A 47 -14.699 -23.601 -3.935 1.00 1.28 C ATOM 694 C LYS A 47 -15.343 -24.478 -5.004 1.00 1.27 C ATOM 695 O LYS A 47 -14.722 -24.791 -6.023 1.00 1.27 O ATOM 696 CB LYS A 47 -15.264 -22.183 -4.004 1.00 1.30 C ATOM 697 CG LYS A 47 -14.919 -21.339 -2.784 1.00 1.49 C ATOM 698 CD LYS A 47 -16.148 -20.657 -2.206 1.00 1.72 C ATOM 699 CE LYS A 47 -16.690 -21.405 -0.994 1.00 1.61 C ATOM 700 NZ LYS A 47 -18.046 -20.932 -0.609 1.00 2.27 N ATOM 0 H LYS A 47 -12.921 -23.287 -5.001 1.00 1.23 H new ATOM 0 HA LYS A 47 -14.933 -24.035 -2.963 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.883 -21.690 -4.898 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.348 -22.235 -4.107 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -14.461 -21.970 -2.022 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -14.181 -20.586 -3.060 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -15.897 -19.635 -1.921 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -16.922 -20.593 -2.971 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -16.727 -22.472 -1.213 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -16.008 -21.275 -0.153 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -18.378 -21.466 0.219 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -18.007 -19.919 -0.375 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -18.703 -21.079 -1.402 1.00 2.27 H new ATOM 714 N ALA A 48 -16.598 -24.847 -4.773 1.00 1.33 N ATOM 715 CA ALA A 48 -17.318 -25.749 -5.665 1.00 1.38 C ATOM 716 C ALA A 48 -17.532 -25.125 -7.037 1.00 1.18 C ATOM 717 O ALA A 48 -17.367 -25.789 -8.061 1.00 1.05 O ATOM 718 CB ALA A 48 -18.653 -26.143 -5.049 1.00 1.64 C ATOM 0 H ALA A 48 -17.141 -24.533 -3.969 1.00 1.33 H new ATOM 0 HA ALA A 48 -16.709 -26.643 -5.799 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -19.181 -26.816 -5.724 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -18.480 -26.646 -4.097 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.255 -25.250 -4.884 1.00 1.64 H new ATOM 724 N MET A 49 -17.886 -23.843 -7.053 1.00 1.20 N ATOM 725 CA MET A 49 -18.127 -23.127 -8.303 1.00 1.09 C ATOM 726 C MET A 49 -16.868 -23.123 -9.167 1.00 0.94 C ATOM 727 O MET A 49 -16.942 -23.202 -10.390 1.00 0.85 O ATOM 728 CB MET A 49 -18.582 -21.689 -8.017 1.00 1.22 C ATOM 729 CG MET A 49 -18.414 -20.739 -9.198 1.00 1.35 C ATOM 730 SD MET A 49 -19.731 -19.511 -9.308 1.00 1.95 S ATOM 731 CE MET A 49 -18.782 -18.027 -9.644 1.00 2.58 C ATOM 0 H MET A 49 -18.013 -23.278 -6.214 1.00 1.20 H new ATOM 0 HA MET A 49 -18.919 -23.640 -8.848 1.00 1.09 H new ATOM 0 HB2 MET A 49 -19.631 -21.703 -7.721 1.00 1.22 H new ATOM 0 HB3 MET A 49 -18.017 -21.302 -7.169 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.455 -20.228 -9.113 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.386 -21.317 -10.121 1.00 1.35 H new ATOM 0 HE1 MET A 49 -19.158 -17.208 -9.031 1.00 2.58 H new ATOM 0 HE2 MET A 49 -17.733 -18.205 -9.408 1.00 2.58 H new ATOM 0 HE3 MET A 49 -18.878 -17.765 -10.698 1.00 2.58 H new ATOM 741 N ALA A 50 -15.712 -23.057 -8.516 1.00 0.96 N ATOM 742 CA ALA A 50 -14.438 -23.029 -9.220 1.00 0.90 C ATOM 743 C ALA A 50 -14.146 -24.379 -9.868 1.00 0.84 C ATOM 744 O ALA A 50 -13.661 -24.446 -11.000 1.00 0.80 O ATOM 745 CB ALA A 50 -13.314 -22.641 -8.269 1.00 1.06 C ATOM 0 H ALA A 50 -15.632 -23.022 -7.500 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.501 -22.280 -10.009 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.368 -22.625 -8.811 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.512 -21.652 -7.855 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.256 -23.368 -7.459 1.00 1.06 H new ATOM 751 N VAL A 51 -14.453 -25.453 -9.151 1.00 0.90 N ATOM 752 CA VAL A 51 -14.217 -26.799 -9.654 1.00 0.92 C ATOM 753 C VAL A 51 -15.207 -27.138 -10.773 1.00 0.84 C ATOM 754 O VAL A 51 -14.860 -27.810 -11.747 1.00 0.85 O ATOM 755 CB VAL A 51 -14.273 -27.842 -8.502 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.501 -28.738 -8.580 1.00 1.17 C ATOM 757 CG2 VAL A 51 -13.006 -28.681 -8.491 1.00 1.46 C ATOM 0 H VAL A 51 -14.866 -25.417 -8.219 1.00 0.90 H new ATOM 0 HA VAL A 51 -13.213 -26.837 -10.077 1.00 0.92 H new ATOM 0 HB VAL A 51 -14.348 -27.283 -7.569 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -15.488 -29.446 -7.752 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.402 -28.127 -8.521 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -15.494 -29.283 -9.524 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -13.058 -29.407 -7.680 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -12.908 -29.205 -9.442 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -12.142 -28.033 -8.343 1.00 1.46 H new ATOM 767 N ALA A 52 -16.428 -26.632 -10.647 1.00 0.84 N ATOM 768 CA ALA A 52 -17.460 -26.866 -11.645 1.00 0.85 C ATOM 769 C ALA A 52 -17.187 -26.057 -12.905 1.00 0.77 C ATOM 770 O ALA A 52 -17.546 -26.465 -14.009 1.00 0.83 O ATOM 771 CB ALA A 52 -18.831 -26.525 -11.081 1.00 0.97 C ATOM 0 H ALA A 52 -16.726 -26.055 -9.860 1.00 0.84 H new ATOM 0 HA ALA A 52 -17.446 -27.923 -11.909 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.592 -26.706 -11.840 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.032 -27.149 -10.210 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.853 -25.475 -10.788 1.00 0.97 H new ATOM 777 N ALA A 53 -16.545 -24.909 -12.732 1.00 0.72 N ATOM 778 CA ALA A 53 -16.217 -24.041 -13.850 1.00 0.74 C ATOM 779 C ALA A 53 -15.071 -24.611 -14.674 1.00 0.73 C ATOM 780 O ALA A 53 -15.085 -24.530 -15.902 1.00 0.93 O ATOM 781 CB ALA A 53 -15.868 -22.646 -13.355 1.00 0.82 C ATOM 0 H ALA A 53 -16.241 -24.558 -11.824 1.00 0.72 H new ATOM 0 HA ALA A 53 -17.095 -23.978 -14.493 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -15.625 -22.009 -14.205 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.719 -22.227 -12.819 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -15.009 -22.702 -12.686 1.00 0.82 H new ATOM 787 N GLN A 54 -14.087 -25.200 -14.005 1.00 0.71 N ATOM 788 CA GLN A 54 -12.919 -25.731 -14.699 1.00 0.83 C ATOM 789 C GLN A 54 -13.293 -26.950 -15.545 1.00 0.88 C ATOM 790 O GLN A 54 -12.816 -27.101 -16.670 1.00 1.07 O ATOM 791 CB GLN A 54 -11.789 -26.058 -13.708 1.00 0.99 C ATOM 792 CG GLN A 54 -11.960 -27.373 -12.962 1.00 1.27 C ATOM 793 CD GLN A 54 -11.279 -27.368 -11.609 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.669 -28.359 -11.201 1.00 1.76 O ATOM 795 NE2 GLN A 54 -11.388 -26.259 -10.896 1.00 1.86 N ATOM 0 H GLN A 54 -14.073 -25.322 -12.992 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.549 -24.961 -15.376 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -10.844 -26.084 -14.251 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -11.717 -25.250 -12.980 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.023 -27.575 -12.829 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.554 -28.185 -13.566 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -11.901 -25.461 -11.270 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -10.959 -26.202 -9.973 1.00 1.86 H new ATOM 804 N VAL A 55 -14.184 -27.792 -15.027 1.00 0.88 N ATOM 805 CA VAL A 55 -14.615 -28.977 -15.762 1.00 0.98 C ATOM 806 C VAL A 55 -15.874 -28.687 -16.577 1.00 0.96 C ATOM 807 O VAL A 55 -16.598 -29.599 -16.973 1.00 1.10 O ATOM 808 CB VAL A 55 -14.873 -30.178 -14.826 1.00 1.13 C ATOM 809 CG1 VAL A 55 -13.596 -30.583 -14.106 1.00 1.82 C ATOM 810 CG2 VAL A 55 -15.975 -29.864 -13.825 1.00 1.36 C ATOM 0 H VAL A 55 -14.617 -27.678 -14.111 1.00 0.88 H new ATOM 0 HA VAL A 55 -13.800 -29.239 -16.437 1.00 0.98 H new ATOM 0 HB VAL A 55 -15.203 -31.016 -15.440 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -13.800 -31.431 -13.452 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -12.839 -30.864 -14.838 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -13.232 -29.745 -13.511 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -16.136 -30.727 -13.179 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.683 -29.006 -13.219 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.897 -29.634 -14.359 1.00 1.36 H new ATOM 820 N HIS A 56 -16.128 -27.407 -16.823 1.00 0.95 N ATOM 821 CA HIS A 56 -17.296 -26.990 -17.592 1.00 1.02 C ATOM 822 C HIS A 56 -16.971 -26.962 -19.082 1.00 0.97 C ATOM 823 O HIS A 56 -17.868 -26.962 -19.925 1.00 1.30 O ATOM 824 CB HIS A 56 -17.769 -25.609 -17.123 1.00 1.22 C ATOM 825 CG HIS A 56 -19.095 -25.189 -17.680 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.443 -23.871 -17.867 1.00 1.92 N ATOM 827 CD2 HIS A 56 -20.155 -25.918 -18.095 1.00 1.81 C ATOM 828 CE1 HIS A 56 -20.658 -23.809 -18.372 1.00 1.97 C ATOM 829 NE2 HIS A 56 -21.115 -25.036 -18.525 1.00 1.97 N ATOM 0 H HIS A 56 -15.540 -26.638 -16.501 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.098 -27.710 -17.428 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -17.829 -25.609 -16.035 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.020 -24.868 -17.401 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -20.232 -26.995 -18.089 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.191 -22.903 -18.620 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -22.029 -25.288 -18.900 1.00 1.97 H new ATOM 838 N ARG A 57 -15.689 -26.935 -19.405 1.00 0.98 N ATOM 839 CA ARG A 57 -15.264 -26.903 -20.795 1.00 1.19 C ATOM 840 C ARG A 57 -14.703 -28.254 -21.217 1.00 1.33 C ATOM 841 O ARG A 57 -15.265 -28.935 -22.077 1.00 2.17 O ATOM 842 CB ARG A 57 -14.217 -25.806 -21.012 1.00 1.33 C ATOM 843 CG ARG A 57 -14.797 -24.514 -21.567 1.00 1.79 C ATOM 844 CD ARG A 57 -14.130 -24.120 -22.873 1.00 1.88 C ATOM 845 NE ARG A 57 -12.936 -23.299 -22.662 1.00 2.28 N ATOM 846 CZ ARG A 57 -11.762 -23.528 -23.252 1.00 2.79 C ATOM 847 NH1 ARG A 57 -11.621 -24.556 -24.084 1.00 3.10 N ATOM 848 NH2 ARG A 57 -10.727 -22.731 -23.011 1.00 3.57 N ATOM 0 H ARG A 57 -14.927 -26.935 -18.727 1.00 0.98 H new ATOM 0 HA ARG A 57 -16.135 -26.681 -21.411 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -13.722 -25.595 -20.064 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -13.452 -26.175 -21.696 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -15.869 -24.634 -21.726 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -14.671 -23.714 -20.837 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -13.857 -25.020 -23.425 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -14.841 -23.571 -23.490 1.00 1.88 H new ATOM 0 HE ARG A 57 -13.006 -22.505 -22.026 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -12.412 -25.172 -24.272 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -10.722 -24.729 -24.534 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -10.829 -21.941 -22.373 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -9.830 -22.909 -23.464 1.00 3.57 H new ATOM 862 N GLU A 58 -13.603 -28.640 -20.587 1.00 1.21 N ATOM 863 CA GLU A 58 -12.906 -29.873 -20.915 1.00 1.40 C ATOM 864 C GLU A 58 -11.890 -30.181 -19.826 1.00 1.22 C ATOM 865 O GLU A 58 -12.073 -29.777 -18.677 1.00 1.68 O ATOM 866 CB GLU A 58 -12.200 -29.736 -22.263 1.00 1.88 C ATOM 867 CG GLU A 58 -12.780 -30.628 -23.343 1.00 2.68 C ATOM 868 CD GLU A 58 -12.033 -31.935 -23.482 1.00 3.16 C ATOM 869 OE1 GLU A 58 -11.103 -32.181 -22.684 1.00 3.53 O ATOM 870 OE2 GLU A 58 -12.373 -32.720 -24.392 1.00 3.64 O ATOM 0 H GLU A 58 -13.169 -28.106 -19.834 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.627 -30.688 -20.981 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -12.258 -28.698 -22.590 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.143 -29.972 -22.136 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -13.826 -30.834 -23.116 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -12.759 -30.099 -24.296 1.00 2.68 H new ATOM 877 N TYR A 59 -10.817 -30.877 -20.186 1.00 1.26 N ATOM 878 CA TYR A 59 -9.730 -31.144 -19.252 1.00 1.40 C ATOM 879 C TYR A 59 -8.880 -29.890 -19.060 1.00 1.33 C ATOM 880 O TYR A 59 -7.703 -29.849 -19.426 1.00 1.82 O ATOM 881 CB TYR A 59 -8.864 -32.308 -19.744 1.00 1.93 C ATOM 882 CG TYR A 59 -9.643 -33.585 -19.973 1.00 2.42 C ATOM 883 CD1 TYR A 59 -10.655 -33.965 -19.104 1.00 2.98 C ATOM 884 CD2 TYR A 59 -9.358 -34.417 -21.051 1.00 2.85 C ATOM 885 CE1 TYR A 59 -11.365 -35.132 -19.301 1.00 3.65 C ATOM 886 CE2 TYR A 59 -10.062 -35.588 -21.254 1.00 3.50 C ATOM 887 CZ TYR A 59 -11.082 -35.923 -20.410 1.00 3.80 C ATOM 888 OH TYR A 59 -11.764 -37.109 -20.569 1.00 4.58 O ATOM 0 H TYR A 59 -10.677 -31.266 -21.118 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.162 -31.425 -18.292 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -8.375 -32.019 -20.674 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -8.076 -32.498 -19.015 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -10.892 -33.337 -18.258 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -8.573 -34.143 -21.741 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -12.133 -35.428 -18.601 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -9.806 -36.237 -22.078 1.00 3.50 H new ATOM 0 HH TYR A 59 -11.462 -37.553 -21.389 1.00 4.58 H new ATOM 898 N GLN A 60 -9.501 -28.868 -18.495 1.00 1.24 N ATOM 899 CA GLN A 60 -8.846 -27.599 -18.235 1.00 1.28 C ATOM 900 C GLN A 60 -8.864 -27.324 -16.735 1.00 1.38 C ATOM 901 O GLN A 60 -9.819 -26.756 -16.201 1.00 1.94 O ATOM 902 CB GLN A 60 -9.552 -26.488 -19.019 1.00 1.68 C ATOM 903 CG GLN A 60 -9.060 -25.084 -18.712 1.00 1.83 C ATOM 904 CD GLN A 60 -10.202 -24.133 -18.430 1.00 2.07 C ATOM 905 OE1 GLN A 60 -10.376 -23.123 -19.113 1.00 2.80 O ATOM 906 NE2 GLN A 60 -10.992 -24.452 -17.420 1.00 2.27 N ATOM 0 H GLN A 60 -10.478 -28.896 -18.203 1.00 1.24 H new ATOM 0 HA GLN A 60 -7.807 -27.634 -18.564 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.426 -26.678 -20.085 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -10.621 -26.538 -18.811 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.392 -25.114 -17.851 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -8.478 -24.711 -19.555 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -10.812 -25.298 -16.880 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -11.781 -23.852 -17.181 1.00 2.27 H new ATOM 915 N VAL A 61 -7.808 -27.747 -16.062 1.00 1.49 N ATOM 916 CA VAL A 61 -7.775 -27.741 -14.606 1.00 1.90 C ATOM 917 C VAL A 61 -6.826 -26.682 -14.056 1.00 2.03 C ATOM 918 O VAL A 61 -7.231 -25.835 -13.259 1.00 2.77 O ATOM 919 CB VAL A 61 -7.356 -29.118 -14.040 1.00 2.42 C ATOM 920 CG1 VAL A 61 -8.345 -29.594 -12.991 1.00 3.13 C ATOM 921 CG2 VAL A 61 -7.219 -30.154 -15.146 1.00 2.70 C ATOM 0 H VAL A 61 -6.958 -28.101 -16.501 1.00 1.49 H new ATOM 0 HA VAL A 61 -8.791 -27.508 -14.287 1.00 1.90 H new ATOM 0 HB VAL A 61 -6.381 -28.996 -13.569 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -8.030 -30.564 -12.607 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -8.382 -28.875 -12.173 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -9.335 -29.685 -13.439 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -6.924 -31.110 -14.714 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -8.174 -30.267 -15.659 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.461 -29.828 -15.858 1.00 2.70 H new ATOM 931 N GLU A 62 -5.567 -26.735 -14.480 1.00 1.77 N ATOM 932 CA GLU A 62 -4.535 -25.861 -13.930 1.00 2.15 C ATOM 933 C GLU A 62 -4.824 -24.396 -14.225 1.00 1.95 C ATOM 934 O GLU A 62 -5.081 -23.606 -13.313 1.00 2.59 O ATOM 935 CB GLU A 62 -3.159 -26.239 -14.486 1.00 2.85 C ATOM 936 CG GLU A 62 -2.784 -27.691 -14.248 1.00 3.27 C ATOM 937 CD GLU A 62 -3.053 -28.565 -15.456 1.00 4.00 C ATOM 938 OE1 GLU A 62 -3.927 -28.213 -16.271 1.00 4.41 O ATOM 939 OE2 GLU A 62 -2.393 -29.612 -15.599 1.00 4.56 O ATOM 0 H GLU A 62 -5.236 -27.374 -15.203 1.00 1.77 H new ATOM 0 HA GLU A 62 -4.537 -25.997 -12.848 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.142 -26.039 -15.557 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.404 -25.598 -14.030 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -1.727 -27.752 -13.987 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -3.345 -28.073 -13.395 1.00 3.27 H new ATOM 946 N LEU A 63 -4.786 -24.034 -15.494 1.00 1.62 N ATOM 947 CA LEU A 63 -4.976 -22.649 -15.894 1.00 1.78 C ATOM 948 C LEU A 63 -6.289 -22.482 -16.645 1.00 1.53 C ATOM 949 O LEU A 63 -6.448 -23.001 -17.751 1.00 1.50 O ATOM 950 CB LEU A 63 -3.809 -22.174 -16.763 1.00 2.34 C ATOM 951 CG LEU A 63 -2.700 -23.204 -16.993 1.00 2.46 C ATOM 952 CD1 LEU A 63 -2.535 -23.488 -18.476 1.00 2.93 C ATOM 953 CD2 LEU A 63 -1.392 -22.714 -16.394 1.00 3.01 C ATOM 0 H LEU A 63 -4.625 -24.679 -16.267 1.00 1.62 H new ATOM 0 HA LEU A 63 -5.011 -22.038 -14.992 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.202 -21.865 -17.732 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -3.370 -21.290 -16.301 1.00 2.34 H new ATOM 0 HG LEU A 63 -2.981 -24.133 -16.497 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -1.742 -24.222 -18.620 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -3.470 -23.879 -18.878 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -2.274 -22.566 -18.996 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -0.613 -23.457 -16.565 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -1.106 -21.773 -16.864 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -1.518 -22.560 -15.322 1.00 3.01 H new ATOM 965 N PRO A 64 -7.257 -21.779 -16.036 1.00 1.52 N ATOM 966 CA PRO A 64 -8.531 -21.474 -16.681 1.00 1.44 C ATOM 967 C PRO A 64 -8.347 -20.485 -17.826 1.00 1.43 C ATOM 968 O PRO A 64 -7.744 -19.426 -17.655 1.00 1.89 O ATOM 969 CB PRO A 64 -9.380 -20.853 -15.559 1.00 1.66 C ATOM 970 CG PRO A 64 -8.640 -21.131 -14.294 1.00 1.91 C ATOM 971 CD PRO A 64 -7.193 -21.232 -14.676 1.00 1.79 C ATOM 0 HA PRO A 64 -8.993 -22.358 -17.121 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -9.507 -19.781 -15.711 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -10.378 -21.292 -15.534 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -8.797 -20.334 -13.567 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -8.988 -22.056 -13.834 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -6.699 -20.261 -14.653 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.641 -21.886 -14.002 1.00 1.79 H new ATOM 979 N LEU A 65 -8.854 -20.838 -18.992 1.00 1.22 N ATOM 980 CA LEU A 65 -8.708 -19.998 -20.166 1.00 1.24 C ATOM 981 C LEU A 65 -10.071 -19.662 -20.754 1.00 1.19 C ATOM 982 O LEU A 65 -10.639 -20.454 -21.510 1.00 1.82 O ATOM 983 CB LEU A 65 -7.833 -20.703 -21.204 1.00 1.39 C ATOM 984 CG LEU A 65 -7.368 -19.829 -22.370 1.00 1.86 C ATOM 985 CD1 LEU A 65 -5.992 -19.251 -22.093 1.00 2.46 C ATOM 986 CD2 LEU A 65 -7.352 -20.632 -23.657 1.00 2.34 C ATOM 0 H LEU A 65 -9.372 -21.702 -19.152 1.00 1.22 H new ATOM 0 HA LEU A 65 -8.225 -19.065 -19.875 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -6.954 -21.106 -20.701 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -8.387 -21.551 -21.606 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.071 -19.003 -22.481 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -5.681 -18.633 -22.935 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -6.028 -18.642 -21.190 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.278 -20.063 -21.955 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -7.019 -19.997 -24.478 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -6.670 -21.476 -23.551 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -8.356 -21.001 -23.868 1.00 2.34 H new ATOM 998 N LYS A 66 -10.593 -18.491 -20.384 1.00 0.89 N ATOM 999 CA LYS A 66 -11.876 -18.010 -20.898 1.00 0.89 C ATOM 1000 C LYS A 66 -12.989 -19.034 -20.666 1.00 0.88 C ATOM 1001 O LYS A 66 -13.574 -19.563 -21.615 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.761 -17.681 -22.388 1.00 1.03 C ATOM 1003 CG LYS A 66 -12.400 -16.358 -22.771 1.00 1.47 C ATOM 1004 CD LYS A 66 -13.204 -16.482 -24.052 1.00 1.62 C ATOM 1005 CE LYS A 66 -12.489 -15.835 -25.226 1.00 1.99 C ATOM 1006 NZ LYS A 66 -13.392 -15.653 -26.391 1.00 2.42 N ATOM 0 H LYS A 66 -10.143 -17.855 -19.726 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.136 -17.103 -20.352 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -10.707 -17.660 -22.666 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.227 -18.480 -22.965 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -13.049 -16.018 -21.964 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -11.626 -15.601 -22.897 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -13.383 -17.535 -24.270 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -14.179 -16.015 -23.917 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -12.091 -14.867 -24.920 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -11.639 -16.452 -25.518 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -12.867 -15.209 -27.171 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -13.752 -16.579 -26.699 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -14.190 -15.044 -26.120 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.265 -19.321 -19.402 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.305 -20.280 -19.047 1.00 1.08 C ATOM 1022 C VAL A 67 -15.229 -19.718 -17.964 1.00 1.15 C ATOM 1023 O VAL A 67 -16.412 -20.057 -17.906 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.695 -21.625 -18.581 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -12.941 -21.472 -17.265 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -14.772 -22.693 -18.465 1.00 2.11 C ATOM 0 H VAL A 67 -12.784 -18.905 -18.604 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.895 -20.463 -19.945 1.00 1.08 H new ATOM 0 HB VAL A 67 -12.976 -21.941 -19.337 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -12.527 -22.436 -16.969 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -12.132 -20.752 -17.391 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.624 -21.118 -16.493 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -14.322 -23.630 -18.136 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -15.522 -22.377 -17.740 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -15.246 -22.839 -19.436 1.00 2.11 H new ATOM 1036 N LEU A 68 -14.674 -18.851 -17.122 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.415 -18.218 -16.034 1.00 1.15 C ATOM 1038 C LEU A 68 -14.503 -17.228 -15.327 1.00 1.14 C ATOM 1039 O LEU A 68 -14.852 -16.065 -15.128 1.00 1.53 O ATOM 1040 CB LEU A 68 -15.927 -19.263 -15.037 1.00 1.35 C ATOM 1041 CG LEU A 68 -17.350 -19.024 -14.527 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.299 -20.080 -15.073 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -17.380 -19.018 -13.009 1.00 2.02 C ATOM 0 H LEU A 68 -13.696 -18.567 -17.175 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.279 -17.699 -16.449 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -15.886 -20.245 -15.509 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -15.250 -19.291 -14.183 1.00 1.35 H new ATOM 0 HG LEU A 68 -17.680 -18.048 -14.882 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.306 -19.893 -14.699 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.303 -20.038 -16.162 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -17.970 -21.067 -14.750 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -18.400 -18.847 -12.666 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -17.028 -19.979 -12.634 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -16.733 -18.224 -12.635 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.328 -17.711 -14.953 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.290 -16.867 -14.389 1.00 1.16 C ATOM 1057 C PHE A 69 -11.213 -16.632 -15.437 1.00 1.15 C ATOM 1058 O PHE A 69 -11.244 -17.249 -16.507 1.00 1.87 O ATOM 1059 CB PHE A 69 -11.665 -17.504 -13.142 1.00 1.30 C ATOM 1060 CG PHE A 69 -12.607 -18.361 -12.338 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -13.466 -17.790 -11.410 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -12.626 -19.736 -12.505 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -14.326 -18.577 -10.665 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -13.483 -20.527 -11.764 1.00 1.81 C ATOM 1065 CZ PHE A 69 -14.334 -19.947 -10.843 1.00 1.60 C ATOM 0 H PHE A 69 -13.069 -18.695 -15.032 1.00 1.04 H new ATOM 0 HA PHE A 69 -12.741 -15.920 -14.092 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -10.813 -18.112 -13.448 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.278 -16.712 -12.501 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -13.463 -16.719 -11.268 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -11.963 -20.195 -13.223 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -14.990 -18.121 -9.945 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.488 -21.598 -11.905 1.00 1.81 H new ATOM 0 HZ PHE A 69 -15.005 -20.564 -10.263 1.00 1.60 H new ATOM 1075 N ALA A 70 -10.273 -15.746 -15.118 1.00 0.92 N ATOM 1076 CA ALA A 70 -9.161 -15.415 -16.006 1.00 0.94 C ATOM 1077 C ALA A 70 -9.661 -14.844 -17.330 1.00 0.91 C ATOM 1078 O ALA A 70 -9.176 -15.225 -18.401 1.00 1.09 O ATOM 1079 CB ALA A 70 -8.269 -16.629 -16.235 1.00 1.03 C ATOM 0 H ALA A 70 -10.261 -15.236 -14.235 1.00 0.92 H new ATOM 0 HA ALA A 70 -8.563 -14.644 -15.519 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -7.448 -16.358 -16.899 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -7.866 -16.970 -15.281 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -8.853 -17.429 -16.689 1.00 1.03 H new ATOM 1085 N GLN A 71 -10.647 -13.945 -17.228 1.00 1.05 N ATOM 1086 CA GLN A 71 -11.214 -13.223 -18.374 1.00 1.14 C ATOM 1087 C GLN A 71 -12.508 -12.533 -17.959 1.00 1.04 C ATOM 1088 O GLN A 71 -13.431 -13.181 -17.472 1.00 1.19 O ATOM 1089 CB GLN A 71 -11.495 -14.153 -19.561 1.00 1.43 C ATOM 1090 CG GLN A 71 -11.096 -13.566 -20.909 1.00 1.89 C ATOM 1091 CD GLN A 71 -9.819 -12.740 -20.854 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -9.835 -11.534 -21.106 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -8.707 -13.376 -20.519 1.00 3.23 N ATOM 0 H GLN A 71 -11.079 -13.695 -16.338 1.00 1.05 H new ATOM 0 HA GLN A 71 -10.476 -12.486 -18.692 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -10.960 -15.091 -19.411 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -12.558 -14.392 -19.580 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -10.965 -14.377 -21.626 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -11.909 -12.941 -21.280 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -8.732 -14.376 -20.317 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -7.825 -12.866 -20.463 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.597 -11.206 -18.142 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.778 -10.430 -17.760 1.00 1.26 C ATOM 1104 C PRO A 72 -14.902 -10.498 -18.798 1.00 1.21 C ATOM 1105 O PRO A 72 -15.699 -9.568 -18.928 1.00 1.62 O ATOM 1106 CB PRO A 72 -13.228 -9.010 -17.646 1.00 1.60 C ATOM 1107 CG PRO A 72 -12.107 -8.954 -18.628 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.544 -10.351 -18.722 1.00 1.38 C ATOM 0 HA PRO A 72 -14.236 -10.806 -16.845 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -13.994 -8.270 -17.878 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -12.879 -8.801 -16.635 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -12.461 -8.613 -19.601 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -11.342 -8.249 -18.302 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.332 -10.626 -19.755 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.609 -10.441 -18.170 1.00 1.38 H new ATOM 1116 N THR A 73 -14.970 -11.601 -19.529 1.00 1.29 N ATOM 1117 CA THR A 73 -16.035 -11.818 -20.497 1.00 1.40 C ATOM 1118 C THR A 73 -17.247 -12.464 -19.828 1.00 1.25 C ATOM 1119 O THR A 73 -17.904 -13.333 -20.405 1.00 1.55 O ATOM 1120 CB THR A 73 -15.550 -12.711 -21.652 1.00 1.86 C ATOM 1121 OG1 THR A 73 -14.132 -12.902 -21.551 1.00 2.46 O ATOM 1122 CG2 THR A 73 -15.890 -12.088 -22.994 1.00 2.01 C ATOM 0 H THR A 73 -14.296 -12.364 -19.469 1.00 1.29 H new ATOM 0 HA THR A 73 -16.324 -10.846 -20.898 1.00 1.40 H new ATOM 0 HB THR A 73 -16.055 -13.674 -21.581 1.00 1.86 H new ATOM 0 HG1 THR A 73 -13.697 -12.561 -22.360 1.00 2.46 H new ATOM 0 HG21 THR A 73 -15.538 -12.737 -23.796 1.00 2.01 H new ATOM 0 HG22 THR A 73 -16.970 -11.965 -23.075 1.00 2.01 H new ATOM 0 HG23 THR A 73 -15.407 -11.114 -23.076 1.00 2.01 H new ATOM 1130 N ILE A 74 -17.543 -12.013 -18.612 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.604 -12.597 -17.796 1.00 1.13 C ATOM 1132 C ILE A 74 -19.953 -12.559 -18.507 1.00 1.08 C ATOM 1133 O ILE A 74 -20.722 -13.513 -18.434 1.00 1.12 O ATOM 1134 CB ILE A 74 -18.742 -11.889 -16.427 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.879 -10.623 -16.371 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -18.364 -12.840 -15.299 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -18.676 -9.337 -16.448 1.00 2.08 C ATOM 0 H ILE A 74 -17.056 -11.236 -18.166 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.314 -13.635 -17.631 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.784 -11.593 -16.303 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -17.303 -10.628 -15.446 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -17.163 -10.646 -17.193 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -18.466 -12.328 -14.342 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -19.023 -13.708 -15.318 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -17.332 -13.166 -15.428 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -17.997 -8.485 -16.402 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -19.231 -9.309 -17.385 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -19.373 -9.290 -15.612 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.224 -11.465 -19.209 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.499 -11.306 -19.899 1.00 1.12 C ATOM 1151 C LYS A 75 -21.648 -12.343 -21.009 1.00 1.02 C ATOM 1152 O LYS A 75 -22.713 -12.944 -21.173 1.00 1.06 O ATOM 1153 CB LYS A 75 -21.643 -9.894 -20.480 1.00 1.25 C ATOM 1154 CG LYS A 75 -20.407 -9.018 -20.321 1.00 1.80 C ATOM 1155 CD LYS A 75 -20.735 -7.694 -19.654 1.00 2.44 C ATOM 1156 CE LYS A 75 -21.759 -6.899 -20.451 1.00 3.14 C ATOM 1157 NZ LYS A 75 -22.718 -6.191 -19.564 1.00 3.80 N ATOM 0 H LYS A 75 -19.583 -10.679 -19.315 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.290 -11.459 -19.165 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -21.883 -9.974 -21.540 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.487 -9.401 -19.998 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -19.660 -9.548 -19.730 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -19.965 -8.832 -21.300 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -21.118 -7.878 -18.650 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -19.824 -7.106 -19.545 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -21.245 -6.175 -21.083 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -22.305 -7.570 -21.114 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -23.545 -5.890 -20.117 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -23.024 -6.830 -18.803 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -22.256 -5.356 -19.150 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.578 -12.556 -21.762 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.589 -13.529 -22.840 1.00 0.98 C ATOM 1173 C ALA A 76 -20.677 -14.949 -22.293 1.00 0.91 C ATOM 1174 O ALA A 76 -21.453 -15.766 -22.786 1.00 0.97 O ATOM 1175 CB ALA A 76 -19.354 -13.367 -23.714 1.00 1.08 C ATOM 0 H ALA A 76 -19.691 -12.066 -21.644 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.473 -13.349 -23.452 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -19.377 -14.104 -24.517 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -19.340 -12.364 -24.141 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.459 -13.517 -23.110 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.898 -15.230 -21.257 1.00 0.91 N ATOM 1182 CA LEU A 77 -19.851 -16.565 -20.669 1.00 0.97 C ATOM 1183 C LEU A 77 -21.197 -16.952 -20.059 1.00 1.04 C ATOM 1184 O LEU A 77 -21.674 -18.071 -20.248 1.00 1.11 O ATOM 1185 CB LEU A 77 -18.755 -16.640 -19.605 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.324 -16.542 -20.143 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -16.360 -16.158 -19.033 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.905 -17.855 -20.784 1.00 1.94 C ATOM 0 H LEU A 77 -19.288 -14.550 -20.804 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.624 -17.271 -21.468 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.912 -15.837 -18.885 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -18.860 -17.579 -19.062 1.00 1.15 H new ATOM 0 HG LEU A 77 -17.296 -15.763 -20.905 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -15.349 -16.094 -19.435 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.648 -15.192 -18.619 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -16.390 -16.913 -18.247 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.886 -17.767 -21.161 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.950 -18.653 -20.043 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.578 -18.088 -21.609 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.816 -16.014 -19.351 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.098 -16.265 -18.697 1.00 1.34 C ATOM 1202 C ALA A 78 -24.239 -16.325 -19.708 1.00 1.34 C ATOM 1203 O ALA A 78 -25.384 -16.607 -19.353 1.00 1.53 O ATOM 1204 CB ALA A 78 -23.379 -15.196 -17.649 1.00 1.57 C ATOM 0 H ALA A 78 -21.451 -15.071 -19.214 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.034 -17.236 -18.206 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -24.338 -15.398 -17.171 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -22.590 -15.207 -16.897 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -23.411 -14.217 -18.127 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.925 -16.054 -20.965 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.916 -16.112 -22.024 1.00 1.42 C ATOM 1212 C GLN A 79 -24.752 -17.385 -22.850 1.00 1.44 C ATOM 1213 O GLN A 79 -25.669 -18.197 -22.949 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.796 -14.886 -22.929 1.00 1.53 C ATOM 1215 CG GLN A 79 -26.044 -14.611 -23.748 1.00 1.65 C ATOM 1216 CD GLN A 79 -26.829 -13.422 -23.237 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -27.336 -13.431 -22.114 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -26.928 -12.389 -24.056 1.00 2.74 N ATOM 0 H GLN A 79 -22.990 -15.791 -21.276 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.904 -16.121 -21.565 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -24.574 -14.013 -22.316 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -23.952 -15.024 -23.604 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -25.761 -14.435 -24.786 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -26.683 -15.494 -23.737 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -26.492 -12.425 -24.977 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -27.440 -11.556 -23.766 1.00 2.74 H new ATOM 1227 N TYR A 80 -23.566 -17.562 -23.416 1.00 1.23 N ATOM 1228 CA TYR A 80 -23.310 -18.654 -24.346 1.00 1.38 C ATOM 1229 C TYR A 80 -23.200 -19.992 -23.631 1.00 1.39 C ATOM 1230 O TYR A 80 -23.738 -20.996 -24.093 1.00 1.59 O ATOM 1231 CB TYR A 80 -22.028 -18.385 -25.134 1.00 1.43 C ATOM 1232 CG TYR A 80 -22.052 -17.084 -25.905 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -23.168 -16.714 -26.641 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -20.959 -16.226 -25.893 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -23.193 -15.527 -27.349 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -20.978 -15.039 -26.596 1.00 2.18 C ATOM 1237 CZ TYR A 80 -22.097 -14.695 -27.322 1.00 2.42 C ATOM 1238 OH TYR A 80 -22.119 -13.509 -28.017 1.00 2.85 O ATOM 0 H TYR A 80 -22.761 -16.959 -23.246 1.00 1.23 H new ATOM 0 HA TYR A 80 -24.158 -18.707 -25.029 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -21.184 -18.373 -24.445 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -21.860 -19.207 -25.830 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -24.031 -17.363 -26.661 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -20.080 -16.493 -25.324 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -24.068 -15.254 -27.920 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -20.120 -14.383 -26.577 1.00 2.18 H new ATOM 0 HH TYR A 80 -21.267 -13.041 -27.892 1.00 2.85 H new ATOM 1248 N VAL A 81 -22.512 -20.008 -22.498 1.00 1.29 N ATOM 1249 CA VAL A 81 -22.256 -21.257 -21.794 1.00 1.39 C ATOM 1250 C VAL A 81 -23.069 -21.348 -20.508 1.00 1.35 C ATOM 1251 O VAL A 81 -22.645 -21.972 -19.537 1.00 1.49 O ATOM 1252 CB VAL A 81 -20.756 -21.449 -21.461 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -20.250 -22.767 -22.032 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -19.921 -20.286 -21.980 1.00 1.72 C ATOM 0 H VAL A 81 -22.124 -19.178 -22.050 1.00 1.29 H new ATOM 0 HA VAL A 81 -22.562 -22.053 -22.473 1.00 1.39 H new ATOM 0 HB VAL A 81 -20.653 -21.475 -20.376 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -19.194 -22.887 -21.789 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -20.817 -23.592 -21.601 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -20.376 -22.767 -23.115 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -18.873 -20.451 -21.730 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -20.029 -20.215 -23.062 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -20.262 -19.359 -21.519 1.00 1.72 H new ATOM 1264 N ALA A 82 -24.236 -20.726 -20.503 1.00 1.42 N ATOM 1265 CA ALA A 82 -25.125 -20.784 -19.350 1.00 1.52 C ATOM 1266 C ALA A 82 -26.575 -20.652 -19.790 1.00 1.59 C ATOM 1267 O ALA A 82 -27.420 -20.138 -19.053 1.00 1.90 O ATOM 1268 CB ALA A 82 -24.770 -19.695 -18.347 1.00 1.66 C ATOM 0 H ALA A 82 -24.592 -20.174 -21.284 1.00 1.42 H new ATOM 0 HA ALA A 82 -24.999 -21.752 -18.865 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -25.444 -19.754 -17.493 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -23.743 -19.833 -18.009 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -24.868 -18.718 -18.821 1.00 1.66 H new ATOM 1274 N THR A 83 -26.858 -21.123 -20.996 1.00 1.64 N ATOM 1275 CA THR A 83 -28.189 -21.019 -21.566 1.00 1.83 C ATOM 1276 C THR A 83 -29.142 -22.027 -20.932 1.00 2.01 C ATOM 1277 O THR A 83 -30.331 -21.742 -20.760 1.00 2.41 O ATOM 1278 CB THR A 83 -28.138 -21.254 -23.082 1.00 2.14 C ATOM 1279 OG1 THR A 83 -26.845 -21.769 -23.434 1.00 2.59 O ATOM 1280 CG2 THR A 83 -28.402 -19.962 -23.840 1.00 2.65 C ATOM 0 H THR A 83 -26.177 -21.583 -21.600 1.00 1.64 H new ATOM 0 HA THR A 83 -28.558 -20.014 -21.362 1.00 1.83 H new ATOM 0 HB THR A 83 -28.912 -21.972 -23.354 1.00 2.14 H new ATOM 0 HG1 THR A 83 -26.806 -21.923 -24.401 1.00 2.59 H new ATOM 0 HG21 THR A 83 -28.361 -20.154 -24.912 1.00 2.65 H new ATOM 0 HG22 THR A 83 -29.389 -19.581 -23.577 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.646 -19.223 -23.574 1.00 2.65 H new ATOM 1288 N ARG A 84 -28.602 -23.196 -20.581 1.00 2.19 N ATOM 1289 CA ARG A 84 -29.388 -24.284 -19.998 1.00 2.75 C ATOM 1290 C ARG A 84 -30.453 -24.762 -20.982 1.00 3.36 C ATOM 1291 O ARG A 84 -31.541 -25.184 -20.587 1.00 4.13 O ATOM 1292 CB ARG A 84 -30.038 -23.839 -18.682 1.00 3.41 C ATOM 1293 CG ARG A 84 -29.908 -24.859 -17.563 1.00 3.80 C ATOM 1294 CD ARG A 84 -31.130 -25.759 -17.485 1.00 4.57 C ATOM 1295 NE ARG A 84 -32.332 -25.032 -17.071 1.00 5.32 N ATOM 1296 CZ ARG A 84 -32.702 -24.862 -15.800 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -31.953 -25.336 -14.812 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -33.832 -24.224 -15.520 1.00 7.09 N ATOM 0 H ARG A 84 -27.612 -23.414 -20.692 1.00 2.19 H new ATOM 0 HA ARG A 84 -28.715 -25.114 -19.785 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -29.585 -22.901 -18.362 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -31.095 -23.638 -18.858 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -29.017 -25.466 -17.724 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -29.774 -24.343 -16.612 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -31.303 -26.218 -18.459 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -30.938 -26.569 -16.781 1.00 4.57 H new ATOM 0 HE ARG A 84 -32.923 -24.631 -17.799 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -31.088 -25.834 -15.022 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -32.242 -25.202 -13.843 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -34.416 -23.865 -16.276 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -34.117 -24.093 -14.549 1.00 7.09 H new ATOM 1312 N SER A 85 -30.131 -24.699 -22.261 1.00 3.58 N ATOM 1313 CA SER A 85 -31.071 -25.063 -23.306 1.00 4.69 C ATOM 1314 C SER A 85 -30.541 -26.252 -24.097 1.00 5.43 C ATOM 1315 O SER A 85 -29.323 -26.510 -24.031 1.00 5.80 O ATOM 1316 CB SER A 85 -31.316 -23.868 -24.231 1.00 5.10 C ATOM 1317 OG SER A 85 -31.477 -22.671 -23.485 1.00 4.66 O ATOM 1318 OXT SER A 85 -31.343 -26.930 -24.769 1.00 5.98 O ATOM 0 H SER A 85 -29.219 -24.397 -22.603 1.00 3.58 H new ATOM 0 HA SER A 85 -32.018 -25.347 -22.848 1.00 4.69 H new ATOM 0 HB2 SER A 85 -30.479 -23.761 -24.921 1.00 5.10 H new ATOM 0 HB3 SER A 85 -32.206 -24.047 -24.834 1.00 5.10 H new ATOM 0 HG SER A 85 -31.630 -21.922 -24.098 1.00 4.66 H new TER 1324 SER A 85