USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 783 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 64 TYR OH : rot -142:sc= 1.07 USER MOD Set 1.2: A 82 ASN : amide:sc= -0.441 K(o=0.63,f=-1.8) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0.879 USER MOD Set 2.2: A 86 ASN : amide:sc= 1.46 K(o=2.3,f=-4.2!) USER MOD Set 3.1: A 36 THR OG1 : rot -105:sc= 0.875 USER MOD Set 3.2: A 38 ASN : amide:sc= 0.586 K(o=1.5,f=-2.7) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0429 (180deg=-0.261) USER MOD Single : A 45 TYR OH : rot 164:sc= 1.22 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -37:sc= 0.591 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.174 F(o=-1.6,f=-0.17) USER MOD Single : A 66 SER OG : rot -117:sc= 0.303 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.12) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00552 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.047) USER MOD Single : A 84 THR OG1 : rot 39:sc= 0.152 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 98 TYR OH : rot -100:sc= 0.71 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -54:sc= 0.845 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= -0.0247 (180deg=-0.166) USER MOD Single : A 122 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0.079 USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HE2:sc= 0.324 K(o=0.32,f=-2.4!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -15.158 7.751 -17.484 1.00 60.01 N ATOM 2 CA MET A 34 -16.557 7.376 -17.139 1.00 21.25 C ATOM 3 C MET A 34 -16.923 7.842 -15.722 1.00 62.44 C ATOM 4 O MET A 34 -16.362 7.361 -14.739 1.00 2.33 O ATOM 5 CB MET A 34 -16.751 5.855 -17.246 1.00 32.42 C ATOM 6 CG MET A 34 -16.518 5.292 -18.642 1.00 74.13 C ATOM 7 SD MET A 34 -14.816 5.506 -19.204 1.00 61.20 S ATOM 8 CE MET A 34 -14.889 4.719 -20.814 1.00 0.00 C ATOM 0 HA MET A 34 -17.216 7.874 -17.851 1.00 21.25 H new ATOM 0 HB2 MET A 34 -16.071 5.364 -16.550 1.00 32.42 H new ATOM 0 HB3 MET A 34 -17.764 5.606 -16.931 1.00 32.42 H new ATOM 0 HG2 MET A 34 -16.768 4.231 -18.648 1.00 74.13 H new ATOM 0 HG3 MET A 34 -17.193 5.782 -19.344 1.00 74.13 H new ATOM 0 HE1 MET A 34 -13.909 4.770 -21.289 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.181 3.675 -20.696 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.621 5.232 -21.437 1.00 0.00 H new ATOM 20 N ASP A 35 -17.860 8.782 -15.620 1.00 62.30 N ATOM 21 CA ASP A 35 -18.308 9.274 -14.317 1.00 70.54 C ATOM 22 C ASP A 35 -19.248 8.255 -13.644 1.00 73.40 C ATOM 23 O ASP A 35 -20.395 8.076 -14.062 1.00 21.43 O ATOM 24 CB ASP A 35 -19.008 10.630 -14.471 1.00 24.40 C ATOM 25 CG ASP A 35 -19.348 11.257 -13.132 1.00 22.33 C ATOM 26 OD1 ASP A 35 -18.484 11.958 -12.562 1.00 31.33 O ATOM 27 OD2 ASP A 35 -20.474 11.048 -12.634 1.00 14.23 O ATOM 0 H ASP A 35 -18.322 9.217 -16.418 1.00 62.30 H new ATOM 0 HA ASP A 35 -17.434 9.404 -13.679 1.00 70.54 H new ATOM 0 HB2 ASP A 35 -18.365 11.307 -15.034 1.00 24.40 H new ATOM 0 HB3 ASP A 35 -19.921 10.501 -15.052 1.00 24.40 H new ATOM 32 N THR A 36 -18.757 7.590 -12.604 1.00 53.45 N ATOM 33 CA THR A 36 -19.526 6.550 -11.909 1.00 0.44 C ATOM 34 C THR A 36 -18.937 6.241 -10.528 1.00 14.42 C ATOM 35 O THR A 36 -17.732 6.373 -10.311 1.00 11.33 O ATOM 36 CB THR A 36 -19.590 5.243 -12.738 1.00 21.35 C ATOM 37 OG1 THR A 36 -20.159 4.177 -11.954 1.00 33.13 O ATOM 38 CG2 THR A 36 -18.204 4.840 -13.241 1.00 71.31 C ATOM 0 H THR A 36 -17.826 7.750 -12.218 1.00 53.45 H new ATOM 0 HA THR A 36 -20.535 6.942 -11.784 1.00 0.44 H new ATOM 0 HB THR A 36 -20.227 5.427 -13.603 1.00 21.35 H new ATOM 0 HG1 THR A 36 -19.449 3.564 -11.670 1.00 33.13 H new ATOM 0 HG21 THR A 36 -18.280 3.919 -13.819 1.00 71.31 H new ATOM 0 HG22 THR A 36 -17.801 5.632 -13.872 1.00 71.31 H new ATOM 0 HG23 THR A 36 -17.541 4.680 -12.391 1.00 71.31 H new ATOM 46 N ASN A 37 -19.789 5.829 -9.593 1.00 10.15 N ATOM 47 CA ASN A 37 -19.344 5.523 -8.229 1.00 32.25 C ATOM 48 C ASN A 37 -18.727 4.117 -8.141 1.00 63.30 C ATOM 49 O ASN A 37 -19.308 3.203 -7.551 1.00 51.03 O ATOM 50 CB ASN A 37 -20.510 5.646 -7.237 1.00 55.43 C ATOM 51 CG ASN A 37 -21.173 7.012 -7.274 1.00 43.05 C ATOM 52 OD1 ASN A 37 -20.546 8.017 -7.595 1.00 31.13 O ATOM 53 ND2 ASN A 37 -22.448 7.063 -6.942 1.00 74.23 N ATOM 0 H ASN A 37 -20.788 5.699 -9.750 1.00 10.15 H new ATOM 0 HA ASN A 37 -18.576 6.250 -7.966 1.00 32.25 H new ATOM 0 HB2 ASN A 37 -21.253 4.880 -7.460 1.00 55.43 H new ATOM 0 HB3 ASN A 37 -20.145 5.452 -6.228 1.00 55.43 H new ATOM 0 HD21 ASN A 37 -22.941 7.956 -6.947 1.00 74.23 H new ATOM 0 HD22 ASN A 37 -22.941 6.210 -6.680 1.00 74.23 H new ATOM 60 N ASN A 38 -17.558 3.944 -8.752 1.00 13.43 N ATOM 61 CA ASN A 38 -16.837 2.669 -8.684 1.00 21.04 C ATOM 62 C ASN A 38 -15.991 2.578 -7.408 1.00 55.14 C ATOM 63 O ASN A 38 -14.992 3.281 -7.254 1.00 14.03 O ATOM 64 CB ASN A 38 -15.957 2.473 -9.927 1.00 63.52 C ATOM 65 CG ASN A 38 -16.771 2.132 -11.164 1.00 71.14 C ATOM 66 OD1 ASN A 38 -17.924 2.526 -11.294 1.00 72.43 O ATOM 67 ND2 ASN A 38 -16.183 1.385 -12.077 1.00 64.24 N ATOM 0 H ASN A 38 -17.088 4.666 -9.299 1.00 13.43 H new ATOM 0 HA ASN A 38 -17.578 1.870 -8.656 1.00 21.04 H new ATOM 0 HB2 ASN A 38 -15.385 3.382 -10.111 1.00 63.52 H new ATOM 0 HB3 ASN A 38 -15.237 1.676 -9.738 1.00 63.52 H new ATOM 0 HD21 ASN A 38 -16.689 1.119 -12.922 1.00 64.24 H new ATOM 0 HD22 ASN A 38 -15.222 1.073 -11.939 1.00 64.24 H new ATOM 74 N PHE A 39 -16.417 1.718 -6.490 1.00 4.32 N ATOM 75 CA PHE A 39 -15.705 1.504 -5.229 1.00 42.35 C ATOM 76 C PHE A 39 -14.437 0.656 -5.433 1.00 43.53 C ATOM 77 O PHE A 39 -14.505 -0.569 -5.532 1.00 61.55 O ATOM 78 CB PHE A 39 -16.638 0.833 -4.208 1.00 23.44 C ATOM 79 CG PHE A 39 -17.811 1.694 -3.795 1.00 44.43 C ATOM 80 CD1 PHE A 39 -18.931 1.813 -4.609 1.00 11.43 C ATOM 81 CD2 PHE A 39 -17.793 2.382 -2.588 1.00 61.32 C ATOM 82 CE1 PHE A 39 -20.001 2.600 -4.230 1.00 72.25 C ATOM 83 CE2 PHE A 39 -18.862 3.170 -2.206 1.00 52.22 C ATOM 84 CZ PHE A 39 -19.967 3.277 -3.027 1.00 32.11 C ATOM 0 H PHE A 39 -17.259 1.152 -6.594 1.00 4.32 H new ATOM 0 HA PHE A 39 -15.394 2.477 -4.848 1.00 42.35 H new ATOM 0 HB2 PHE A 39 -17.014 -0.099 -4.631 1.00 23.44 H new ATOM 0 HB3 PHE A 39 -16.062 0.571 -3.321 1.00 23.44 H new ATOM 0 HD1 PHE A 39 -18.965 1.284 -5.550 1.00 11.43 H new ATOM 0 HD2 PHE A 39 -16.933 2.300 -1.940 1.00 61.32 H new ATOM 0 HE1 PHE A 39 -20.864 2.686 -4.874 1.00 72.25 H new ATOM 0 HE2 PHE A 39 -18.833 3.702 -1.266 1.00 52.22 H new ATOM 0 HZ PHE A 39 -20.804 3.890 -2.728 1.00 32.11 H new ATOM 94 N THR A 40 -13.284 1.322 -5.521 1.00 64.40 N ATOM 95 CA THR A 40 -11.995 0.632 -5.691 1.00 14.13 C ATOM 96 C THR A 40 -11.001 0.972 -4.571 1.00 14.20 C ATOM 97 O THR A 40 -11.081 2.032 -3.939 1.00 63.10 O ATOM 98 CB THR A 40 -11.323 0.977 -7.045 1.00 2.21 C ATOM 99 OG1 THR A 40 -11.071 2.390 -7.131 1.00 3.44 O ATOM 100 CG2 THR A 40 -12.185 0.537 -8.222 1.00 5.44 C ATOM 0 H THR A 40 -13.212 2.339 -5.478 1.00 64.40 H new ATOM 0 HA THR A 40 -12.234 -0.431 -5.658 1.00 14.13 H new ATOM 0 HB THR A 40 -10.378 0.436 -7.092 1.00 2.21 H new ATOM 0 HG1 THR A 40 -10.645 2.595 -7.990 1.00 3.44 H new ATOM 0 HG21 THR A 40 -11.685 0.794 -9.156 1.00 5.44 H new ATOM 0 HG22 THR A 40 -12.339 -0.541 -8.177 1.00 5.44 H new ATOM 0 HG23 THR A 40 -13.149 1.043 -8.176 1.00 5.44 H new ATOM 108 N VAL A 41 -10.058 0.058 -4.333 1.00 43.45 N ATOM 109 CA VAL A 41 -8.982 0.269 -3.361 1.00 21.32 C ATOM 110 C VAL A 41 -7.619 0.357 -4.064 1.00 43.34 C ATOM 111 O VAL A 41 -7.077 -0.649 -4.521 1.00 73.22 O ATOM 112 CB VAL A 41 -8.946 -0.869 -2.310 1.00 61.34 C ATOM 113 CG1 VAL A 41 -7.759 -0.706 -1.365 1.00 64.24 C ATOM 114 CG2 VAL A 41 -10.259 -0.912 -1.534 1.00 20.34 C ATOM 0 H VAL A 41 -10.018 -0.845 -4.806 1.00 43.45 H new ATOM 0 HA VAL A 41 -9.184 1.212 -2.853 1.00 21.32 H new ATOM 0 HB VAL A 41 -8.823 -1.817 -2.834 1.00 61.34 H new ATOM 0 HG11 VAL A 41 -7.758 -1.518 -0.638 1.00 64.24 H new ATOM 0 HG12 VAL A 41 -6.832 -0.731 -1.938 1.00 64.24 H new ATOM 0 HG13 VAL A 41 -7.838 0.248 -0.843 1.00 64.24 H new ATOM 0 HG21 VAL A 41 -10.221 -1.716 -0.799 1.00 20.34 H new ATOM 0 HG22 VAL A 41 -10.412 0.039 -1.024 1.00 20.34 H new ATOM 0 HG23 VAL A 41 -11.084 -1.090 -2.224 1.00 20.34 H new ATOM 124 N LYS A 42 -7.071 1.561 -4.150 1.00 41.53 N ATOM 125 CA LYS A 42 -5.792 1.784 -4.831 1.00 45.21 C ATOM 126 C LYS A 42 -4.622 1.718 -3.839 1.00 54.13 C ATOM 127 O LYS A 42 -4.515 2.530 -2.921 1.00 51.21 O ATOM 128 CB LYS A 42 -5.819 3.137 -5.557 1.00 24.44 C ATOM 129 CG LYS A 42 -4.542 3.465 -6.337 1.00 14.04 C ATOM 130 CD LYS A 42 -3.664 4.487 -5.615 1.00 21.11 C ATOM 131 CE LYS A 42 -2.463 4.905 -6.459 1.00 12.15 C ATOM 132 NZ LYS A 42 -2.866 5.572 -7.725 1.00 11.31 N ATOM 0 H LYS A 42 -7.489 2.404 -3.757 1.00 41.53 H new ATOM 0 HA LYS A 42 -5.644 0.993 -5.566 1.00 45.21 H new ATOM 0 HB2 LYS A 42 -6.664 3.149 -6.246 1.00 24.44 H new ATOM 0 HB3 LYS A 42 -5.995 3.925 -4.824 1.00 24.44 H new ATOM 0 HG2 LYS A 42 -3.972 2.550 -6.497 1.00 14.04 H new ATOM 0 HG3 LYS A 42 -4.809 3.851 -7.321 1.00 14.04 H new ATOM 0 HD2 LYS A 42 -4.259 5.367 -5.369 1.00 21.11 H new ATOM 0 HD3 LYS A 42 -3.316 4.064 -4.673 1.00 21.11 H new ATOM 0 HE2 LYS A 42 -1.833 5.580 -5.880 1.00 12.15 H new ATOM 0 HE3 LYS A 42 -1.861 4.026 -6.690 1.00 12.15 H new ATOM 0 HZ1 LYS A 42 -2.045 6.058 -8.138 1.00 11.31 H new ATOM 0 HZ2 LYS A 42 -3.220 4.860 -8.395 1.00 11.31 H new ATOM 0 HZ3 LYS A 42 -3.616 6.265 -7.529 1.00 11.31 H new ATOM 146 N VAL A 43 -3.747 0.742 -4.038 1.00 63.20 N ATOM 147 CA VAL A 43 -2.618 0.504 -3.137 1.00 23.41 C ATOM 148 C VAL A 43 -1.349 1.242 -3.598 1.00 63.43 C ATOM 149 O VAL A 43 -0.854 1.023 -4.707 1.00 52.42 O ATOM 150 CB VAL A 43 -2.317 -1.015 -3.022 1.00 34.31 C ATOM 151 CG1 VAL A 43 -1.217 -1.273 -1.993 1.00 31.50 C ATOM 152 CG2 VAL A 43 -3.587 -1.797 -2.674 1.00 4.31 C ATOM 0 H VAL A 43 -3.795 0.093 -4.824 1.00 63.20 H new ATOM 0 HA VAL A 43 -2.905 0.894 -2.161 1.00 23.41 H new ATOM 0 HB VAL A 43 -1.961 -1.365 -3.991 1.00 34.31 H new ATOM 0 HG11 VAL A 43 -1.023 -2.344 -1.929 1.00 31.50 H new ATOM 0 HG12 VAL A 43 -0.306 -0.756 -2.296 1.00 31.50 H new ATOM 0 HG13 VAL A 43 -1.536 -0.903 -1.019 1.00 31.50 H new ATOM 0 HG21 VAL A 43 -3.351 -2.859 -2.599 1.00 4.31 H new ATOM 0 HG22 VAL A 43 -3.982 -1.444 -1.721 1.00 4.31 H new ATOM 0 HG23 VAL A 43 -4.333 -1.645 -3.454 1.00 4.31 H new ATOM 162 N GLU A 44 -0.828 2.111 -2.735 1.00 73.31 N ATOM 163 CA GLU A 44 0.420 2.831 -3.006 1.00 60.14 C ATOM 164 C GLU A 44 1.581 2.256 -2.187 1.00 53.22 C ATOM 165 O GLU A 44 1.437 1.936 -1.005 1.00 2.41 O ATOM 166 CB GLU A 44 0.266 4.324 -2.678 1.00 71.10 C ATOM 167 CG GLU A 44 -0.652 5.080 -3.630 1.00 75.34 C ATOM 168 CD GLU A 44 -0.754 6.568 -3.310 1.00 3.12 C ATOM 169 OE1 GLU A 44 0.239 7.151 -2.824 1.00 34.53 O ATOM 170 OE2 GLU A 44 -1.827 7.163 -3.545 1.00 32.43 O ATOM 0 H GLU A 44 -1.252 2.337 -1.835 1.00 73.31 H new ATOM 0 HA GLU A 44 0.641 2.711 -4.067 1.00 60.14 H new ATOM 0 HB2 GLU A 44 -0.119 4.424 -1.663 1.00 71.10 H new ATOM 0 HB3 GLU A 44 1.251 4.791 -2.693 1.00 71.10 H new ATOM 0 HG2 GLU A 44 -0.287 4.958 -4.650 1.00 75.34 H new ATOM 0 HG3 GLU A 44 -1.648 4.638 -3.593 1.00 75.34 H new ATOM 177 N TYR A 45 2.738 2.137 -2.822 1.00 0.25 N ATOM 178 CA TYR A 45 3.951 1.677 -2.147 1.00 22.32 C ATOM 179 C TYR A 45 4.937 2.834 -2.037 1.00 34.44 C ATOM 180 O TYR A 45 5.648 3.153 -2.989 1.00 3.55 O ATOM 181 CB TYR A 45 4.550 0.488 -2.904 1.00 72.44 C ATOM 182 CG TYR A 45 3.594 -0.685 -2.967 1.00 43.32 C ATOM 183 CD1 TYR A 45 2.672 -0.806 -4.002 1.00 53.32 C ATOM 184 CD2 TYR A 45 3.594 -1.655 -1.976 1.00 52.31 C ATOM 185 CE1 TYR A 45 1.779 -1.862 -4.042 1.00 75.51 C ATOM 186 CE2 TYR A 45 2.712 -2.715 -2.010 1.00 43.21 C ATOM 187 CZ TYR A 45 1.805 -2.817 -3.042 1.00 55.35 C ATOM 188 OH TYR A 45 0.919 -3.875 -3.075 1.00 75.02 O ATOM 0 H TYR A 45 2.866 2.353 -3.811 1.00 0.25 H new ATOM 0 HA TYR A 45 3.713 1.338 -1.139 1.00 22.32 H new ATOM 0 HB2 TYR A 45 4.811 0.797 -3.916 1.00 72.44 H new ATOM 0 HB3 TYR A 45 5.474 0.177 -2.417 1.00 72.44 H new ATOM 0 HD1 TYR A 45 2.653 -0.064 -4.786 1.00 53.32 H new ATOM 0 HD2 TYR A 45 4.299 -1.579 -1.161 1.00 52.31 H new ATOM 0 HE1 TYR A 45 1.066 -1.940 -4.849 1.00 75.51 H new ATOM 0 HE2 TYR A 45 2.732 -3.462 -1.230 1.00 43.21 H new ATOM 0 HH TYR A 45 1.225 -4.577 -2.463 1.00 75.02 H new ATOM 198 N VAL A 46 4.955 3.475 -0.873 1.00 42.21 N ATOM 199 CA VAL A 46 5.624 4.765 -0.713 1.00 71.54 C ATOM 200 C VAL A 46 6.731 4.735 0.352 1.00 60.11 C ATOM 201 O VAL A 46 6.719 3.912 1.265 1.00 74.42 O ATOM 202 CB VAL A 46 4.593 5.869 -0.346 1.00 42.35 C ATOM 203 CG1 VAL A 46 3.495 5.977 -1.412 1.00 2.30 C ATOM 204 CG2 VAL A 46 3.979 5.603 1.027 1.00 34.23 C ATOM 0 H VAL A 46 4.513 3.123 -0.024 1.00 42.21 H new ATOM 0 HA VAL A 46 6.092 4.989 -1.672 1.00 71.54 H new ATOM 0 HB VAL A 46 5.124 6.820 -0.309 1.00 42.35 H new ATOM 0 HG11 VAL A 46 2.788 6.757 -1.129 1.00 2.30 H new ATOM 0 HG12 VAL A 46 3.944 6.226 -2.373 1.00 2.30 H new ATOM 0 HG13 VAL A 46 2.971 5.025 -1.492 1.00 2.30 H new ATOM 0 HG21 VAL A 46 3.261 6.388 1.263 1.00 34.23 H new ATOM 0 HG22 VAL A 46 3.472 4.638 1.018 1.00 34.23 H new ATOM 0 HG23 VAL A 46 4.766 5.593 1.781 1.00 34.23 H new ATOM 214 N ASP A 47 7.691 5.643 0.220 1.00 23.11 N ATOM 215 CA ASP A 47 8.734 5.820 1.229 1.00 13.53 C ATOM 216 C ASP A 47 8.185 6.642 2.417 1.00 60.54 C ATOM 217 O ASP A 47 7.048 7.118 2.374 1.00 22.13 O ATOM 218 CB ASP A 47 9.950 6.506 0.584 1.00 31.11 C ATOM 219 CG ASP A 47 11.087 6.751 1.561 1.00 0.54 C ATOM 220 OD1 ASP A 47 11.820 5.802 1.886 1.00 21.12 O ATOM 221 OD2 ASP A 47 11.236 7.898 2.023 1.00 72.41 O ATOM 0 H ASP A 47 7.770 6.272 -0.579 1.00 23.11 H new ATOM 0 HA ASP A 47 9.049 4.850 1.615 1.00 13.53 H new ATOM 0 HB2 ASP A 47 10.313 5.890 -0.238 1.00 31.11 H new ATOM 0 HB3 ASP A 47 9.637 7.458 0.155 1.00 31.11 H new ATOM 226 N ALA A 48 8.985 6.808 3.467 1.00 34.22 N ATOM 227 CA ALA A 48 8.559 7.524 4.678 1.00 0.44 C ATOM 228 C ALA A 48 8.156 8.993 4.425 1.00 13.13 C ATOM 229 O ALA A 48 7.641 9.657 5.326 1.00 12.14 O ATOM 230 CB ALA A 48 9.657 7.452 5.733 1.00 61.34 C ATOM 0 H ALA A 48 9.941 6.455 3.508 1.00 34.22 H new ATOM 0 HA ALA A 48 7.659 7.023 5.033 1.00 0.44 H new ATOM 0 HB1 ALA A 48 9.336 7.984 6.629 1.00 61.34 H new ATOM 0 HB2 ALA A 48 9.855 6.409 5.982 1.00 61.34 H new ATOM 0 HB3 ALA A 48 10.566 7.911 5.344 1.00 61.34 H new ATOM 236 N ASP A 49 8.382 9.499 3.212 1.00 73.35 N ATOM 237 CA ASP A 49 7.967 10.866 2.859 1.00 3.31 C ATOM 238 C ASP A 49 6.507 10.890 2.392 1.00 11.13 C ATOM 239 O ASP A 49 5.911 11.952 2.220 1.00 5.43 O ATOM 240 CB ASP A 49 8.860 11.439 1.754 1.00 54.21 C ATOM 241 CG ASP A 49 10.317 11.538 2.161 1.00 52.12 C ATOM 242 OD1 ASP A 49 10.603 12.088 3.245 1.00 64.24 O ATOM 243 OD2 ASP A 49 11.186 11.088 1.384 1.00 51.14 O ATOM 0 H ASP A 49 8.846 8.991 2.459 1.00 73.35 H new ATOM 0 HA ASP A 49 8.067 11.480 3.754 1.00 3.31 H new ATOM 0 HB2 ASP A 49 8.778 10.811 0.867 1.00 54.21 H new ATOM 0 HB3 ASP A 49 8.497 12.429 1.479 1.00 54.21 H new ATOM 248 N GLY A 50 5.946 9.706 2.177 1.00 0.23 N ATOM 249 CA GLY A 50 4.592 9.591 1.660 1.00 24.10 C ATOM 250 C GLY A 50 4.542 9.537 0.135 1.00 71.20 C ATOM 251 O GLY A 50 3.481 9.329 -0.455 1.00 21.03 O ATOM 0 H GLY A 50 6.409 8.814 2.353 1.00 0.23 H new ATOM 0 HA2 GLY A 50 4.128 8.692 2.066 1.00 24.10 H new ATOM 0 HA3 GLY A 50 4.002 10.439 2.008 1.00 24.10 H new ATOM 255 N ALA A 51 5.701 9.706 -0.499 1.00 21.10 N ATOM 256 CA ALA A 51 5.813 9.655 -1.963 1.00 24.51 C ATOM 257 C ALA A 51 6.148 8.234 -2.431 1.00 44.11 C ATOM 258 O ALA A 51 7.006 7.568 -1.845 1.00 61.13 O ATOM 259 CB ALA A 51 6.872 10.642 -2.445 1.00 11.51 C ATOM 0 H ALA A 51 6.585 9.881 -0.021 1.00 21.10 H new ATOM 0 HA ALA A 51 4.852 9.937 -2.394 1.00 24.51 H new ATOM 0 HB1 ALA A 51 6.946 10.595 -3.531 1.00 11.51 H new ATOM 0 HB2 ALA A 51 6.592 11.652 -2.144 1.00 11.51 H new ATOM 0 HB3 ALA A 51 7.836 10.386 -2.005 1.00 11.51 H new ATOM 265 N GLU A 52 5.480 7.762 -3.485 1.00 63.20 N ATOM 266 CA GLU A 52 5.624 6.364 -3.905 1.00 41.21 C ATOM 267 C GLU A 52 6.980 6.087 -4.560 1.00 35.05 C ATOM 268 O GLU A 52 7.639 6.979 -5.100 1.00 54.34 O ATOM 269 CB GLU A 52 4.476 5.934 -4.831 1.00 11.31 C ATOM 270 CG GLU A 52 4.497 6.619 -6.175 1.00 51.33 C ATOM 271 CD GLU A 52 3.418 6.119 -7.123 1.00 3.41 C ATOM 272 OE1 GLU A 52 3.640 5.091 -7.794 1.00 4.11 O ATOM 273 OE2 GLU A 52 2.349 6.761 -7.210 1.00 51.40 O ATOM 0 H GLU A 52 4.843 8.316 -4.057 1.00 63.20 H new ATOM 0 HA GLU A 52 5.575 5.763 -2.997 1.00 41.21 H new ATOM 0 HB2 GLU A 52 4.526 4.856 -4.981 1.00 11.31 H new ATOM 0 HB3 GLU A 52 3.526 6.144 -4.340 1.00 11.31 H new ATOM 0 HG2 GLU A 52 4.374 7.692 -6.030 1.00 51.33 H new ATOM 0 HG3 GLU A 52 5.473 6.469 -6.636 1.00 51.33 H new ATOM 280 N ILE A 53 7.381 4.831 -4.480 1.00 54.01 N ATOM 281 CA ILE A 53 8.689 4.374 -4.945 1.00 30.21 C ATOM 282 C ILE A 53 8.552 3.127 -5.825 1.00 11.41 C ATOM 283 O ILE A 53 9.546 2.510 -6.220 1.00 75.41 O ATOM 284 CB ILE A 53 9.573 4.026 -3.729 1.00 4.21 C ATOM 285 CG1 ILE A 53 8.828 3.012 -2.843 1.00 71.45 C ATOM 286 CG2 ILE A 53 9.938 5.289 -2.947 1.00 42.41 C ATOM 287 CD1 ILE A 53 9.566 2.622 -1.590 1.00 52.22 C ATOM 0 H ILE A 53 6.805 4.087 -4.087 1.00 54.01 H new ATOM 0 HA ILE A 53 9.142 5.174 -5.531 1.00 30.21 H new ATOM 0 HB ILE A 53 10.507 3.579 -4.070 1.00 4.21 H new ATOM 0 HG12 ILE A 53 7.861 3.432 -2.565 1.00 71.45 H new ATOM 0 HG13 ILE A 53 8.629 2.114 -3.428 1.00 71.45 H new ATOM 0 HG21 ILE A 53 10.561 5.021 -2.094 1.00 42.41 H new ATOM 0 HG22 ILE A 53 10.485 5.973 -3.596 1.00 42.41 H new ATOM 0 HG23 ILE A 53 9.028 5.774 -2.593 1.00 42.41 H new ATOM 0 HD11 ILE A 53 8.970 1.905 -1.025 1.00 52.22 H new ATOM 0 HD12 ILE A 53 10.521 2.170 -1.856 1.00 52.22 H new ATOM 0 HD13 ILE A 53 9.741 3.508 -0.980 1.00 52.22 H new ATOM 299 N ALA A 54 7.309 2.766 -6.127 1.00 44.03 N ATOM 300 CA ALA A 54 7.017 1.514 -6.827 1.00 31.11 C ATOM 301 C ALA A 54 5.607 1.529 -7.430 1.00 75.12 C ATOM 302 O ALA A 54 4.683 2.089 -6.835 1.00 15.00 O ATOM 303 CB ALA A 54 7.170 0.329 -5.874 1.00 3.43 C ATOM 0 H ALA A 54 6.485 3.322 -5.899 1.00 44.03 H new ATOM 0 HA ALA A 54 7.731 1.411 -7.644 1.00 31.11 H new ATOM 0 HB1 ALA A 54 6.950 -0.597 -6.406 1.00 3.43 H new ATOM 0 HB2 ALA A 54 8.192 0.296 -5.495 1.00 3.43 H new ATOM 0 HB3 ALA A 54 6.477 0.441 -5.040 1.00 3.43 H new ATOM 309 N PRO A 55 5.424 0.918 -8.622 1.00 31.44 N ATOM 310 CA PRO A 55 4.118 0.851 -9.301 1.00 25.32 C ATOM 311 C PRO A 55 2.951 0.489 -8.372 1.00 43.04 C ATOM 312 O PRO A 55 3.034 -0.449 -7.568 1.00 61.33 O ATOM 313 CB PRO A 55 4.328 -0.248 -10.340 1.00 1.34 C ATOM 314 CG PRO A 55 5.774 -0.147 -10.689 1.00 33.25 C ATOM 315 CD PRO A 55 6.482 0.262 -9.419 1.00 5.40 C ATOM 0 HA PRO A 55 3.837 1.821 -9.712 1.00 25.32 H new ATOM 0 HB2 PRO A 55 4.083 -1.230 -9.936 1.00 1.34 H new ATOM 0 HB3 PRO A 55 3.695 -0.096 -11.214 1.00 1.34 H new ATOM 0 HG2 PRO A 55 6.154 -1.100 -11.058 1.00 33.25 H new ATOM 0 HG3 PRO A 55 5.934 0.587 -11.479 1.00 33.25 H new ATOM 0 HD2 PRO A 55 6.899 -0.600 -8.898 1.00 5.40 H new ATOM 0 HD3 PRO A 55 7.309 0.942 -9.623 1.00 5.40 H new ATOM 323 N SER A 56 1.859 1.229 -8.513 1.00 2.30 N ATOM 324 CA SER A 56 0.685 1.067 -7.656 1.00 20.31 C ATOM 325 C SER A 56 -0.252 -0.039 -8.157 1.00 72.22 C ATOM 326 O SER A 56 -0.205 -0.443 -9.323 1.00 75.30 O ATOM 327 CB SER A 56 -0.086 2.384 -7.589 1.00 65.21 C ATOM 328 OG SER A 56 -0.550 2.774 -8.875 1.00 24.10 O ATOM 0 H SER A 56 1.759 1.957 -9.221 1.00 2.30 H new ATOM 0 HA SER A 56 1.041 0.780 -6.667 1.00 20.31 H new ATOM 0 HB2 SER A 56 -0.933 2.279 -6.911 1.00 65.21 H new ATOM 0 HB3 SER A 56 0.556 3.164 -7.179 1.00 65.21 H new ATOM 0 HG SER A 56 -1.041 3.619 -8.803 1.00 24.10 H new ATOM 334 N ASP A 57 -1.111 -0.517 -7.267 1.00 1.40 N ATOM 335 CA ASP A 57 -2.112 -1.530 -7.610 1.00 42.13 C ATOM 336 C ASP A 57 -3.531 -1.016 -7.319 1.00 21.24 C ATOM 337 O ASP A 57 -3.709 -0.037 -6.600 1.00 10.01 O ATOM 338 CB ASP A 57 -1.841 -2.818 -6.829 1.00 33.42 C ATOM 339 CG ASP A 57 -0.579 -3.529 -7.299 1.00 34.50 C ATOM 340 OD1 ASP A 57 0.524 -3.208 -6.806 1.00 74.13 O ATOM 341 OD2 ASP A 57 -0.682 -4.417 -8.171 1.00 23.11 O ATOM 0 H ASP A 57 -1.138 -0.219 -6.292 1.00 1.40 H new ATOM 0 HA ASP A 57 -2.040 -1.741 -8.677 1.00 42.13 H new ATOM 0 HB2 ASP A 57 -1.749 -2.584 -5.768 1.00 33.42 H new ATOM 0 HB3 ASP A 57 -2.693 -3.489 -6.934 1.00 33.42 H new ATOM 346 N THR A 58 -4.540 -1.672 -7.887 1.00 42.04 N ATOM 347 CA THR A 58 -5.939 -1.284 -7.653 1.00 32.51 C ATOM 348 C THR A 58 -6.831 -2.514 -7.451 1.00 71.11 C ATOM 349 O THR A 58 -7.165 -3.220 -8.401 1.00 14.23 O ATOM 350 CB THR A 58 -6.506 -0.433 -8.819 1.00 12.55 C ATOM 351 OG1 THR A 58 -5.709 0.750 -9.002 1.00 43.03 O ATOM 352 CG2 THR A 58 -7.958 -0.030 -8.559 1.00 74.13 C ATOM 0 H THR A 58 -4.422 -2.471 -8.510 1.00 42.04 H new ATOM 0 HA THR A 58 -5.943 -0.681 -6.745 1.00 32.51 H new ATOM 0 HB THR A 58 -6.472 -1.043 -9.721 1.00 12.55 H new ATOM 0 HG1 THR A 58 -6.074 1.279 -9.741 1.00 43.03 H new ATOM 0 HG21 THR A 58 -8.326 0.565 -9.395 1.00 74.13 H new ATOM 0 HG22 THR A 58 -8.571 -0.925 -8.454 1.00 74.13 H new ATOM 0 HG23 THR A 58 -8.014 0.558 -7.643 1.00 74.13 H new ATOM 360 N LEU A 59 -7.208 -2.768 -6.204 1.00 1.21 N ATOM 361 CA LEU A 59 -8.077 -3.896 -5.863 1.00 54.13 C ATOM 362 C LEU A 59 -9.560 -3.504 -5.957 1.00 62.13 C ATOM 363 O LEU A 59 -10.026 -2.623 -5.235 1.00 3.31 O ATOM 364 CB LEU A 59 -7.761 -4.390 -4.444 1.00 10.23 C ATOM 365 CG LEU A 59 -6.323 -4.892 -4.223 1.00 11.22 C ATOM 366 CD1 LEU A 59 -6.103 -5.274 -2.761 1.00 12.34 C ATOM 367 CD2 LEU A 59 -6.019 -6.076 -5.139 1.00 71.50 C ATOM 0 H LEU A 59 -6.924 -2.204 -5.403 1.00 1.21 H new ATOM 0 HA LEU A 59 -7.889 -4.696 -6.579 1.00 54.13 H new ATOM 0 HB2 LEU A 59 -7.956 -3.578 -3.743 1.00 10.23 H new ATOM 0 HB3 LEU A 59 -8.451 -5.197 -4.197 1.00 10.23 H new ATOM 0 HG LEU A 59 -5.638 -4.082 -4.471 1.00 11.22 H new ATOM 0 HD11 LEU A 59 -5.080 -5.626 -2.627 1.00 12.34 H new ATOM 0 HD12 LEU A 59 -6.273 -4.403 -2.128 1.00 12.34 H new ATOM 0 HD13 LEU A 59 -6.799 -6.066 -2.483 1.00 12.34 H new ATOM 0 HD21 LEU A 59 -4.998 -6.416 -4.967 1.00 71.50 H new ATOM 0 HD22 LEU A 59 -6.713 -6.889 -4.925 1.00 71.50 H new ATOM 0 HD23 LEU A 59 -6.129 -5.769 -6.179 1.00 71.50 H new ATOM 379 N THR A 60 -10.298 -4.153 -6.854 1.00 0.23 N ATOM 380 CA THR A 60 -11.743 -3.904 -6.989 1.00 52.11 C ATOM 381 C THR A 60 -12.569 -4.947 -6.213 1.00 14.11 C ATOM 382 O THR A 60 -13.803 -4.899 -6.200 1.00 11.44 O ATOM 383 CB THR A 60 -12.183 -3.900 -8.476 1.00 64.43 C ATOM 384 OG1 THR A 60 -13.557 -3.487 -8.594 1.00 10.31 O ATOM 385 CG2 THR A 60 -12.005 -5.278 -9.112 1.00 3.52 C ATOM 0 H THR A 60 -9.928 -4.853 -7.498 1.00 0.23 H new ATOM 0 HA THR A 60 -11.932 -2.918 -6.564 1.00 52.11 H new ATOM 0 HB THR A 60 -11.546 -3.191 -9.005 1.00 64.43 H new ATOM 0 HG1 THR A 60 -14.072 -3.844 -7.840 1.00 10.31 H new ATOM 0 HG21 THR A 60 -12.322 -5.241 -10.154 1.00 3.52 H new ATOM 0 HG22 THR A 60 -10.956 -5.569 -9.062 1.00 3.52 H new ATOM 0 HG23 THR A 60 -12.610 -6.008 -8.574 1.00 3.52 H new ATOM 393 N ASP A 61 -11.877 -5.890 -5.575 1.00 11.11 N ATOM 394 CA ASP A 61 -12.517 -6.932 -4.765 1.00 25.34 C ATOM 395 C ASP A 61 -13.088 -6.356 -3.458 1.00 71.41 C ATOM 396 O ASP A 61 -12.414 -5.594 -2.766 1.00 14.20 O ATOM 397 CB ASP A 61 -11.500 -8.033 -4.440 1.00 3.25 C ATOM 398 CG ASP A 61 -10.940 -8.683 -5.689 1.00 44.41 C ATOM 399 OD1 ASP A 61 -11.556 -9.649 -6.197 1.00 15.00 O ATOM 400 OD2 ASP A 61 -9.886 -8.229 -6.180 1.00 60.15 O ATOM 0 H ASP A 61 -10.859 -5.955 -5.603 1.00 11.11 H new ATOM 0 HA ASP A 61 -13.343 -7.348 -5.342 1.00 25.34 H new ATOM 0 HB2 ASP A 61 -10.683 -7.609 -3.856 1.00 3.25 H new ATOM 0 HB3 ASP A 61 -11.975 -8.793 -3.819 1.00 3.25 H new ATOM 405 N TYR A 62 -14.327 -6.737 -3.124 1.00 21.34 N ATOM 406 CA TYR A 62 -14.989 -6.256 -1.904 1.00 70.24 C ATOM 407 C TYR A 62 -14.098 -6.433 -0.659 1.00 52.23 C ATOM 408 O TYR A 62 -13.818 -5.473 0.056 1.00 74.12 O ATOM 409 CB TYR A 62 -16.329 -6.977 -1.693 1.00 30.41 C ATOM 410 CG TYR A 62 -16.994 -6.629 -0.371 1.00 32.11 C ATOM 411 CD1 TYR A 62 -17.625 -5.403 -0.186 1.00 54.13 C ATOM 412 CD2 TYR A 62 -16.970 -7.521 0.699 1.00 4.14 C ATOM 413 CE1 TYR A 62 -18.213 -5.077 1.022 1.00 22.41 C ATOM 414 CE2 TYR A 62 -17.559 -7.203 1.908 1.00 4.31 C ATOM 415 CZ TYR A 62 -18.177 -5.978 2.065 1.00 34.14 C ATOM 416 OH TYR A 62 -18.757 -5.652 3.269 1.00 0.22 O ATOM 0 H TYR A 62 -14.892 -7.377 -3.682 1.00 21.34 H new ATOM 0 HA TYR A 62 -15.172 -5.190 -2.038 1.00 70.24 H new ATOM 0 HB2 TYR A 62 -17.004 -6.722 -2.510 1.00 30.41 H new ATOM 0 HB3 TYR A 62 -16.166 -8.054 -1.738 1.00 30.41 H new ATOM 0 HD1 TYR A 62 -17.656 -4.694 -1.000 1.00 54.13 H new ATOM 0 HD2 TYR A 62 -16.483 -8.478 0.582 1.00 4.14 H new ATOM 0 HE1 TYR A 62 -18.699 -4.121 1.148 1.00 22.41 H new ATOM 0 HE2 TYR A 62 -17.536 -7.908 2.725 1.00 4.31 H new ATOM 0 HH TYR A 62 -18.645 -6.395 3.898 1.00 0.22 H new ATOM 426 N HIS A 63 -13.667 -7.662 -0.390 1.00 62.23 N ATOM 427 CA HIS A 63 -12.769 -7.920 0.739 1.00 44.11 C ATOM 428 C HIS A 63 -11.307 -7.795 0.295 1.00 72.42 C ATOM 429 O HIS A 63 -10.673 -8.779 -0.088 1.00 52.13 O ATOM 430 CB HIS A 63 -13.043 -9.309 1.348 1.00 40.21 C ATOM 431 CG HIS A 63 -13.376 -9.283 2.811 1.00 33.41 C ATOM 432 ND1 HIS A 63 -13.140 -8.350 3.767 1.00 74.32 N flip ATOM 433 CD2 HIS A 63 -14.025 -10.316 3.448 1.00 62.42 C flip ATOM 434 CE1 HIS A 63 -13.645 -8.839 4.947 1.00 75.13 C flip ATOM 435 NE2 HIS A 63 -14.175 -10.025 4.722 1.00 11.53 N flip ATOM 0 H HIS A 63 -13.920 -8.489 -0.930 1.00 62.23 H new ATOM 0 HA HIS A 63 -12.958 -7.173 1.510 1.00 44.11 H new ATOM 0 HB2 HIS A 63 -13.867 -9.775 0.807 1.00 40.21 H new ATOM 0 HB3 HIS A 63 -12.166 -9.939 1.197 1.00 40.21 H new ATOM 0 HD2 HIS A 63 -14.360 -11.227 2.974 1.00 62.42 H new ATOM 0 HE1 HIS A 63 -13.613 -8.335 5.902 1.00 75.13 H new ATOM 0 HE2 HIS A 63 -14.626 -10.618 5.419 1.00 11.53 H new ATOM 444 N TYR A 64 -10.786 -6.575 0.330 1.00 73.50 N ATOM 445 CA TYR A 64 -9.430 -6.312 -0.144 1.00 40.43 C ATOM 446 C TYR A 64 -8.378 -6.706 0.905 1.00 61.54 C ATOM 447 O TYR A 64 -8.429 -6.269 2.060 1.00 63.24 O ATOM 448 CB TYR A 64 -9.264 -4.834 -0.541 1.00 74.13 C ATOM 449 CG TYR A 64 -9.399 -3.845 0.609 1.00 3.00 C ATOM 450 CD1 TYR A 64 -10.647 -3.379 1.012 1.00 5.43 C ATOM 451 CD2 TYR A 64 -8.276 -3.380 1.293 1.00 13.22 C ATOM 452 CE1 TYR A 64 -10.771 -2.480 2.054 1.00 61.04 C ATOM 453 CE2 TYR A 64 -8.395 -2.483 2.335 1.00 43.12 C ATOM 454 CZ TYR A 64 -9.646 -2.037 2.714 1.00 25.31 C ATOM 455 OH TYR A 64 -9.770 -1.144 3.753 1.00 12.05 O ATOM 0 H TYR A 64 -11.279 -5.753 0.680 1.00 73.50 H new ATOM 0 HA TYR A 64 -9.269 -6.930 -1.028 1.00 40.43 H new ATOM 0 HB2 TYR A 64 -8.284 -4.704 -1.001 1.00 74.13 H new ATOM 0 HB3 TYR A 64 -10.007 -4.591 -1.300 1.00 74.13 H new ATOM 0 HD1 TYR A 64 -11.533 -3.726 0.502 1.00 5.43 H new ATOM 0 HD2 TYR A 64 -7.296 -3.728 1.002 1.00 13.22 H new ATOM 0 HE1 TYR A 64 -11.747 -2.126 2.350 1.00 61.04 H new ATOM 0 HE2 TYR A 64 -7.514 -2.131 2.852 1.00 43.12 H new ATOM 0 HH TYR A 64 -9.031 -0.501 3.722 1.00 12.05 H new ATOM 465 N VAL A 65 -7.441 -7.553 0.500 1.00 11.13 N ATOM 466 CA VAL A 65 -6.294 -7.908 1.334 1.00 31.01 C ATOM 467 C VAL A 65 -4.995 -7.646 0.561 1.00 23.40 C ATOM 468 O VAL A 65 -4.676 -8.353 -0.396 1.00 54.31 O ATOM 469 CB VAL A 65 -6.356 -9.396 1.775 1.00 44.31 C ATOM 470 CG1 VAL A 65 -5.129 -9.777 2.603 1.00 11.03 C ATOM 471 CG2 VAL A 65 -7.648 -9.671 2.551 1.00 31.33 C ATOM 0 H VAL A 65 -7.451 -8.013 -0.410 1.00 11.13 H new ATOM 0 HA VAL A 65 -6.319 -7.290 2.231 1.00 31.01 H new ATOM 0 HB VAL A 65 -6.355 -10.017 0.879 1.00 44.31 H new ATOM 0 HG11 VAL A 65 -5.200 -10.824 2.898 1.00 11.03 H new ATOM 0 HG12 VAL A 65 -4.228 -9.628 2.008 1.00 11.03 H new ATOM 0 HG13 VAL A 65 -5.083 -9.151 3.494 1.00 11.03 H new ATOM 0 HG21 VAL A 65 -7.675 -10.718 2.853 1.00 31.33 H new ATOM 0 HG22 VAL A 65 -7.682 -9.037 3.437 1.00 31.33 H new ATOM 0 HG23 VAL A 65 -8.507 -9.454 1.916 1.00 31.33 H new ATOM 481 N SER A 66 -4.247 -6.624 0.974 1.00 22.54 N ATOM 482 CA SER A 66 -3.068 -6.177 0.216 1.00 15.34 C ATOM 483 C SER A 66 -1.777 -6.873 0.664 1.00 20.12 C ATOM 484 O SER A 66 -1.762 -7.632 1.638 1.00 21.41 O ATOM 485 CB SER A 66 -2.901 -4.655 0.335 1.00 51.21 C ATOM 486 OG SER A 66 -1.820 -4.193 -0.462 1.00 21.43 O ATOM 0 H SER A 66 -4.430 -6.090 1.823 1.00 22.54 H new ATOM 0 HA SER A 66 -3.243 -6.451 -0.824 1.00 15.34 H new ATOM 0 HB2 SER A 66 -3.822 -4.160 0.026 1.00 51.21 H new ATOM 0 HB3 SER A 66 -2.729 -4.386 1.377 1.00 51.21 H new ATOM 0 HG SER A 66 -1.132 -3.801 0.115 1.00 21.43 H new ATOM 492 N THR A 67 -0.698 -6.609 -0.070 1.00 11.21 N ATOM 493 CA THR A 67 0.628 -7.179 0.212 1.00 31.14 C ATOM 494 C THR A 67 1.732 -6.142 -0.047 1.00 31.51 C ATOM 495 O THR A 67 1.589 -5.287 -0.921 1.00 2.25 O ATOM 496 CB THR A 67 0.922 -8.422 -0.672 1.00 10.55 C ATOM 497 OG1 THR A 67 0.736 -8.099 -2.061 1.00 31.34 O ATOM 498 CG2 THR A 67 0.028 -9.598 -0.302 1.00 11.01 C ATOM 0 H THR A 67 -0.714 -5.992 -0.882 1.00 11.21 H new ATOM 0 HA THR A 67 0.621 -7.475 1.261 1.00 31.14 H new ATOM 0 HB THR A 67 1.958 -8.711 -0.496 1.00 10.55 H new ATOM 0 HG1 THR A 67 0.926 -8.889 -2.609 1.00 31.34 H new ATOM 0 HG21 THR A 67 0.263 -10.449 -0.942 1.00 11.01 H new ATOM 0 HG22 THR A 67 0.197 -9.870 0.740 1.00 11.01 H new ATOM 0 HG23 THR A 67 -1.017 -9.318 -0.439 1.00 11.01 H new ATOM 506 N PRO A 68 2.846 -6.190 0.709 1.00 60.52 N ATOM 507 CA PRO A 68 4.010 -5.326 0.444 1.00 61.03 C ATOM 508 C PRO A 68 4.751 -5.719 -0.850 1.00 34.24 C ATOM 509 O PRO A 68 4.310 -6.600 -1.593 1.00 71.15 O ATOM 510 CB PRO A 68 4.905 -5.543 1.674 1.00 74.11 C ATOM 511 CG PRO A 68 4.529 -6.893 2.186 1.00 14.33 C ATOM 512 CD PRO A 68 3.061 -7.065 1.878 1.00 13.05 C ATOM 0 HA PRO A 68 3.721 -4.286 0.295 1.00 61.03 H new ATOM 0 HB2 PRO A 68 5.961 -5.501 1.407 1.00 74.11 H new ATOM 0 HB3 PRO A 68 4.736 -4.773 2.427 1.00 74.11 H new ATOM 0 HG2 PRO A 68 5.122 -7.671 1.705 1.00 14.33 H new ATOM 0 HG3 PRO A 68 4.714 -6.968 3.258 1.00 14.33 H new ATOM 0 HD2 PRO A 68 2.818 -8.103 1.652 1.00 13.05 H new ATOM 0 HD3 PRO A 68 2.437 -6.768 2.721 1.00 13.05 H new ATOM 520 N LYS A 69 5.867 -5.052 -1.123 1.00 11.12 N ATOM 521 CA LYS A 69 6.708 -5.375 -2.284 1.00 10.03 C ATOM 522 C LYS A 69 8.184 -5.350 -1.919 1.00 62.31 C ATOM 523 O LYS A 69 8.669 -4.446 -1.235 1.00 51.11 O ATOM 524 CB LYS A 69 6.442 -4.416 -3.463 1.00 0.44 C ATOM 525 CG LYS A 69 5.103 -4.636 -4.165 1.00 42.23 C ATOM 526 CD LYS A 69 4.939 -3.727 -5.386 1.00 33.02 C ATOM 527 CE LYS A 69 3.642 -4.015 -6.132 1.00 14.53 C ATOM 528 NZ LYS A 69 3.438 -3.110 -7.299 1.00 5.51 N ATOM 0 H LYS A 69 6.217 -4.279 -0.556 1.00 11.12 H new ATOM 0 HA LYS A 69 6.442 -6.385 -2.597 1.00 10.03 H new ATOM 0 HB2 LYS A 69 6.483 -3.390 -3.097 1.00 0.44 H new ATOM 0 HB3 LYS A 69 7.244 -4.526 -4.193 1.00 0.44 H new ATOM 0 HG2 LYS A 69 5.023 -5.678 -4.475 1.00 42.23 H new ATOM 0 HG3 LYS A 69 4.291 -4.450 -3.463 1.00 42.23 H new ATOM 0 HD2 LYS A 69 4.952 -2.684 -5.068 1.00 33.02 H new ATOM 0 HD3 LYS A 69 5.785 -3.866 -6.059 1.00 33.02 H new ATOM 0 HE2 LYS A 69 3.647 -5.049 -6.476 1.00 14.53 H new ATOM 0 HE3 LYS A 69 2.802 -3.911 -5.445 1.00 14.53 H new ATOM 0 HZ1 LYS A 69 2.491 -3.267 -7.699 1.00 5.51 H new ATOM 0 HZ2 LYS A 69 3.523 -2.121 -6.990 1.00 5.51 H new ATOM 0 HZ3 LYS A 69 4.157 -3.310 -8.023 1.00 5.51 H new ATOM 542 N ASP A 70 8.872 -6.378 -2.369 1.00 75.41 N ATOM 543 CA ASP A 70 10.305 -6.502 -2.197 1.00 25.41 C ATOM 544 C ASP A 70 11.061 -5.485 -3.074 1.00 52.11 C ATOM 545 O ASP A 70 11.579 -5.816 -4.141 1.00 55.14 O ATOM 546 CB ASP A 70 10.715 -7.942 -2.515 1.00 45.15 C ATOM 547 CG ASP A 70 10.123 -8.460 -3.819 1.00 54.42 C ATOM 548 OD1 ASP A 70 8.903 -8.733 -3.858 1.00 41.45 O ATOM 549 OD2 ASP A 70 10.868 -8.601 -4.810 1.00 71.41 O ATOM 0 H ASP A 70 8.448 -7.159 -2.870 1.00 75.41 H new ATOM 0 HA ASP A 70 10.571 -6.277 -1.164 1.00 25.41 H new ATOM 0 HB2 ASP A 70 11.802 -8.000 -2.569 1.00 45.15 H new ATOM 0 HB3 ASP A 70 10.401 -8.591 -1.698 1.00 45.15 H new ATOM 554 N ILE A 71 11.104 -4.238 -2.611 1.00 75.01 N ATOM 555 CA ILE A 71 11.684 -3.138 -3.389 1.00 30.21 C ATOM 556 C ILE A 71 13.206 -3.024 -3.172 1.00 43.54 C ATOM 557 O ILE A 71 13.669 -2.854 -2.040 1.00 31.13 O ATOM 558 CB ILE A 71 11.012 -1.789 -3.023 1.00 32.20 C ATOM 559 CG1 ILE A 71 9.480 -1.911 -3.121 1.00 64.50 C ATOM 560 CG2 ILE A 71 11.521 -0.671 -3.934 1.00 3.52 C ATOM 561 CD1 ILE A 71 8.734 -0.665 -2.688 1.00 35.52 C ATOM 0 H ILE A 71 10.744 -3.960 -1.698 1.00 75.01 H new ATOM 0 HA ILE A 71 11.500 -3.363 -4.440 1.00 30.21 H new ATOM 0 HB ILE A 71 11.275 -1.539 -1.995 1.00 32.20 H new ATOM 0 HG12 ILE A 71 9.209 -2.145 -4.151 1.00 64.50 H new ATOM 0 HG13 ILE A 71 9.152 -2.750 -2.507 1.00 64.50 H new ATOM 0 HG21 ILE A 71 11.038 0.268 -3.662 1.00 3.52 H new ATOM 0 HG22 ILE A 71 12.600 -0.571 -3.819 1.00 3.52 H new ATOM 0 HG23 ILE A 71 11.288 -0.912 -4.971 1.00 3.52 H new ATOM 0 HD11 ILE A 71 7.661 -0.831 -2.786 1.00 35.52 H new ATOM 0 HD12 ILE A 71 8.973 -0.441 -1.648 1.00 35.52 H new ATOM 0 HD13 ILE A 71 9.031 0.174 -3.318 1.00 35.52 H new ATOM 573 N PRO A 72 14.004 -3.111 -4.260 1.00 14.43 N ATOM 574 CA PRO A 72 15.476 -3.018 -4.185 1.00 0.50 C ATOM 575 C PRO A 72 15.965 -1.689 -3.584 1.00 42.31 C ATOM 576 O PRO A 72 15.829 -0.625 -4.195 1.00 31.52 O ATOM 577 CB PRO A 72 15.925 -3.147 -5.653 1.00 31.33 C ATOM 578 CG PRO A 72 14.711 -2.822 -6.457 1.00 54.31 C ATOM 579 CD PRO A 72 13.542 -3.305 -5.644 1.00 34.12 C ATOM 0 HA PRO A 72 15.890 -3.784 -3.530 1.00 0.50 H new ATOM 0 HB2 PRO A 72 16.742 -2.462 -5.878 1.00 31.33 H new ATOM 0 HB3 PRO A 72 16.284 -4.153 -5.869 1.00 31.33 H new ATOM 0 HG2 PRO A 72 14.641 -1.751 -6.645 1.00 54.31 H new ATOM 0 HG3 PRO A 72 14.742 -3.314 -7.429 1.00 54.31 H new ATOM 0 HD2 PRO A 72 12.639 -2.731 -5.853 1.00 34.12 H new ATOM 0 HD3 PRO A 72 13.310 -4.350 -5.850 1.00 34.12 H new ATOM 587 N GLY A 73 16.526 -1.753 -2.378 1.00 21.33 N ATOM 588 CA GLY A 73 17.021 -0.557 -1.710 1.00 72.13 C ATOM 589 C GLY A 73 16.007 0.048 -0.748 1.00 33.32 C ATOM 590 O GLY A 73 16.193 1.161 -0.257 1.00 14.33 O ATOM 0 H GLY A 73 16.648 -2.616 -1.848 1.00 21.33 H new ATOM 0 HA2 GLY A 73 17.931 -0.803 -1.163 1.00 72.13 H new ATOM 0 HA3 GLY A 73 17.291 0.186 -2.460 1.00 72.13 H new ATOM 594 N TYR A 74 14.926 -0.682 -0.477 1.00 1.23 N ATOM 595 CA TYR A 74 13.898 -0.225 0.467 1.00 63.14 C ATOM 596 C TYR A 74 13.516 -1.308 1.483 1.00 42.55 C ATOM 597 O TYR A 74 13.484 -2.499 1.177 1.00 74.33 O ATOM 598 CB TYR A 74 12.654 0.252 -0.285 1.00 34.12 C ATOM 599 CG TYR A 74 12.833 1.614 -0.922 1.00 31.54 C ATOM 600 CD1 TYR A 74 12.560 2.766 -0.198 1.00 34.12 C ATOM 601 CD2 TYR A 74 13.278 1.752 -2.233 1.00 31.03 C ATOM 602 CE1 TYR A 74 12.716 4.013 -0.758 1.00 51.13 C ATOM 603 CE2 TYR A 74 13.438 3.000 -2.801 1.00 61.22 C ATOM 604 CZ TYR A 74 13.159 4.127 -2.061 1.00 24.10 C ATOM 605 OH TYR A 74 13.315 5.371 -2.630 1.00 63.33 O ATOM 0 H TYR A 74 14.736 -1.592 -0.896 1.00 1.23 H new ATOM 0 HA TYR A 74 14.326 0.608 1.024 1.00 63.14 H new ATOM 0 HB2 TYR A 74 12.403 -0.474 -1.058 1.00 34.12 H new ATOM 0 HB3 TYR A 74 11.811 0.288 0.405 1.00 34.12 H new ATOM 0 HD1 TYR A 74 12.219 2.682 0.823 1.00 34.12 H new ATOM 0 HD2 TYR A 74 13.502 0.870 -2.815 1.00 31.03 H new ATOM 0 HE1 TYR A 74 12.493 4.898 -0.181 1.00 51.13 H new ATOM 0 HE2 TYR A 74 13.780 3.092 -3.821 1.00 61.22 H new ATOM 0 HH TYR A 74 13.635 5.272 -3.551 1.00 63.33 H new ATOM 615 N LYS A 75 13.243 -0.864 2.705 1.00 64.21 N ATOM 616 CA LYS A 75 12.851 -1.748 3.811 1.00 71.04 C ATOM 617 C LYS A 75 11.426 -1.415 4.293 1.00 52.22 C ATOM 618 O LYS A 75 11.168 -0.288 4.705 1.00 13.21 O ATOM 619 CB LYS A 75 13.848 -1.550 4.963 1.00 14.24 C ATOM 620 CG LYS A 75 13.567 -2.382 6.210 1.00 53.34 C ATOM 621 CD LYS A 75 14.449 -1.941 7.377 1.00 75.11 C ATOM 622 CE LYS A 75 15.936 -2.061 7.050 1.00 50.54 C ATOM 623 NZ LYS A 75 16.787 -1.425 8.089 1.00 5.32 N ATOM 0 H LYS A 75 13.286 0.122 2.963 1.00 64.21 H new ATOM 0 HA LYS A 75 12.861 -2.784 3.472 1.00 71.04 H new ATOM 0 HB2 LYS A 75 14.848 -1.790 4.603 1.00 14.24 H new ATOM 0 HB3 LYS A 75 13.853 -0.496 5.241 1.00 14.24 H new ATOM 0 HG2 LYS A 75 12.517 -2.285 6.487 1.00 53.34 H new ATOM 0 HG3 LYS A 75 13.744 -3.436 5.995 1.00 53.34 H new ATOM 0 HD2 LYS A 75 14.217 -0.908 7.636 1.00 75.11 H new ATOM 0 HD3 LYS A 75 14.221 -2.548 8.253 1.00 75.11 H new ATOM 0 HE2 LYS A 75 16.203 -3.114 6.957 1.00 50.54 H new ATOM 0 HE3 LYS A 75 16.134 -1.595 6.084 1.00 50.54 H new ATOM 0 HZ1 LYS A 75 17.789 -1.529 7.829 1.00 5.32 H new ATOM 0 HZ2 LYS A 75 16.551 -0.415 8.161 1.00 5.32 H new ATOM 0 HZ3 LYS A 75 16.618 -1.886 9.006 1.00 5.32 H new ATOM 637 N LEU A 76 10.495 -2.376 4.237 1.00 12.03 N ATOM 638 CA LEU A 76 9.128 -2.129 4.716 1.00 24.34 C ATOM 639 C LEU A 76 9.120 -1.637 6.176 1.00 24.34 C ATOM 640 O LEU A 76 9.432 -2.386 7.103 1.00 43.12 O ATOM 641 CB LEU A 76 8.264 -3.392 4.591 1.00 2.23 C ATOM 642 CG LEU A 76 6.813 -3.236 5.081 1.00 72.23 C ATOM 643 CD1 LEU A 76 6.043 -2.237 4.219 1.00 4.14 C ATOM 644 CD2 LEU A 76 6.104 -4.586 5.104 1.00 1.44 C ATOM 0 H LEU A 76 10.657 -3.315 3.872 1.00 12.03 H new ATOM 0 HA LEU A 76 8.705 -1.346 4.086 1.00 24.34 H new ATOM 0 HB2 LEU A 76 8.248 -3.702 3.546 1.00 2.23 H new ATOM 0 HB3 LEU A 76 8.738 -4.196 5.154 1.00 2.23 H new ATOM 0 HG LEU A 76 6.844 -2.846 6.098 1.00 72.23 H new ATOM 0 HD11 LEU A 76 5.022 -2.148 4.589 1.00 4.14 H new ATOM 0 HD12 LEU A 76 6.532 -1.264 4.265 1.00 4.14 H new ATOM 0 HD13 LEU A 76 6.025 -2.585 3.186 1.00 4.14 H new ATOM 0 HD21 LEU A 76 5.080 -4.453 5.453 1.00 1.44 H new ATOM 0 HD22 LEU A 76 6.093 -5.008 4.099 1.00 1.44 H new ATOM 0 HD23 LEU A 76 6.632 -5.263 5.776 1.00 1.44 H new ATOM 656 N ARG A 77 8.769 -0.370 6.364 1.00 51.15 N ATOM 657 CA ARG A 77 8.708 0.235 7.695 1.00 70.04 C ATOM 658 C ARG A 77 7.533 -0.318 8.511 1.00 72.44 C ATOM 659 O ARG A 77 7.724 -0.887 9.590 1.00 0.40 O ATOM 660 CB ARG A 77 8.593 1.758 7.569 1.00 65.33 C ATOM 661 CG ARG A 77 8.291 2.463 8.887 1.00 45.42 C ATOM 662 CD ARG A 77 8.213 3.976 8.720 1.00 14.13 C ATOM 663 NE ARG A 77 7.146 4.549 9.533 1.00 73.32 N ATOM 664 CZ ARG A 77 6.997 5.822 9.758 1.00 12.44 C ATOM 665 NH1 ARG A 77 7.873 6.678 9.343 1.00 34.43 N ATOM 666 NH2 ARG A 77 5.970 6.230 10.423 1.00 63.45 N ATOM 0 H ARG A 77 8.520 0.265 5.606 1.00 51.15 H new ATOM 0 HA ARG A 77 9.627 -0.018 8.224 1.00 70.04 H new ATOM 0 HB2 ARG A 77 9.525 2.151 7.163 1.00 65.33 H new ATOM 0 HB3 ARG A 77 7.807 1.996 6.852 1.00 65.33 H new ATOM 0 HG2 ARG A 77 7.347 2.093 9.288 1.00 45.42 H new ATOM 0 HG3 ARG A 77 9.064 2.218 9.615 1.00 45.42 H new ATOM 0 HD2 ARG A 77 9.166 4.424 9.001 1.00 14.13 H new ATOM 0 HD3 ARG A 77 8.043 4.219 7.671 1.00 14.13 H new ATOM 0 HE ARG A 77 6.472 3.909 9.953 1.00 73.32 H new ATOM 0 HH11 ARG A 77 8.695 6.359 8.831 1.00 34.43 H new ATOM 0 HH12 ARG A 77 7.741 7.673 9.528 1.00 34.43 H new ATOM 0 HH21 ARG A 77 5.285 5.557 10.767 1.00 63.45 H new ATOM 0 HH22 ARG A 77 5.843 7.226 10.605 1.00 63.45 H new ATOM 680 N GLU A 78 6.318 -0.159 7.990 1.00 31.13 N ATOM 681 CA GLU A 78 5.113 -0.594 8.704 1.00 71.42 C ATOM 682 C GLU A 78 3.966 -0.902 7.737 1.00 71.01 C ATOM 683 O GLU A 78 3.920 -0.386 6.616 1.00 72.34 O ATOM 684 CB GLU A 78 4.668 0.478 9.712 1.00 53.31 C ATOM 685 CG GLU A 78 4.263 1.808 9.073 1.00 3.44 C ATOM 686 CD GLU A 78 3.798 2.836 10.094 1.00 54.54 C ATOM 687 OE1 GLU A 78 2.628 2.761 10.531 1.00 44.21 O ATOM 688 OE2 GLU A 78 4.599 3.718 10.474 1.00 0.13 O ATOM 0 H GLU A 78 6.139 0.266 7.080 1.00 31.13 H new ATOM 0 HA GLU A 78 5.364 -1.510 9.239 1.00 71.42 H new ATOM 0 HB2 GLU A 78 3.826 0.093 10.288 1.00 53.31 H new ATOM 0 HB3 GLU A 78 5.480 0.658 10.416 1.00 53.31 H new ATOM 0 HG2 GLU A 78 5.110 2.212 8.518 1.00 3.44 H new ATOM 0 HG3 GLU A 78 3.464 1.631 8.353 1.00 3.44 H new ATOM 695 N ILE A 79 3.047 -1.753 8.179 1.00 70.33 N ATOM 696 CA ILE A 79 1.852 -2.081 7.400 1.00 30.15 C ATOM 697 C ILE A 79 0.648 -1.252 7.883 1.00 35.22 C ATOM 698 O ILE A 79 0.280 -1.309 9.060 1.00 21.03 O ATOM 699 CB ILE A 79 1.524 -3.597 7.487 1.00 3.12 C ATOM 700 CG1 ILE A 79 2.682 -4.417 6.889 1.00 64.02 C ATOM 701 CG2 ILE A 79 0.210 -3.919 6.774 1.00 4.01 C ATOM 702 CD1 ILE A 79 2.456 -5.915 6.894 1.00 74.25 C ATOM 0 H ILE A 79 3.105 -2.232 9.078 1.00 70.33 H new ATOM 0 HA ILE A 79 2.056 -1.835 6.358 1.00 30.15 H new ATOM 0 HB ILE A 79 1.404 -3.865 8.537 1.00 3.12 H new ATOM 0 HG12 ILE A 79 2.850 -4.091 5.863 1.00 64.02 H new ATOM 0 HG13 ILE A 79 3.592 -4.197 7.447 1.00 64.02 H new ATOM 0 HG21 ILE A 79 0.006 -4.987 6.851 1.00 4.01 H new ATOM 0 HG22 ILE A 79 -0.602 -3.360 7.238 1.00 4.01 H new ATOM 0 HG23 ILE A 79 0.288 -3.640 5.723 1.00 4.01 H new ATOM 0 HD11 ILE A 79 3.320 -6.415 6.455 1.00 74.25 H new ATOM 0 HD12 ILE A 79 2.320 -6.259 7.919 1.00 74.25 H new ATOM 0 HD13 ILE A 79 1.566 -6.151 6.311 1.00 74.25 H new ATOM 714 N PRO A 80 0.014 -0.473 6.982 1.00 25.40 N ATOM 715 CA PRO A 80 -1.078 0.451 7.348 1.00 31.21 C ATOM 716 C PRO A 80 -2.282 -0.240 8.002 1.00 45.44 C ATOM 717 O PRO A 80 -2.614 -1.382 7.685 1.00 42.02 O ATOM 718 CB PRO A 80 -1.495 1.070 5.999 1.00 43.42 C ATOM 719 CG PRO A 80 -0.984 0.120 4.969 1.00 22.34 C ATOM 720 CD PRO A 80 0.293 -0.434 5.535 1.00 61.45 C ATOM 0 HA PRO A 80 -0.741 1.172 8.093 1.00 31.21 H new ATOM 0 HB2 PRO A 80 -2.577 1.181 5.932 1.00 43.42 H new ATOM 0 HB3 PRO A 80 -1.064 2.063 5.870 1.00 43.42 H new ATOM 0 HG2 PRO A 80 -1.705 -0.674 4.775 1.00 22.34 H new ATOM 0 HG3 PRO A 80 -0.806 0.627 4.021 1.00 22.34 H new ATOM 0 HD2 PRO A 80 0.516 -1.425 5.138 1.00 61.45 H new ATOM 0 HD3 PRO A 80 1.148 0.202 5.304 1.00 61.45 H new ATOM 728 N HIS A 81 -2.943 0.478 8.914 1.00 41.41 N ATOM 729 CA HIS A 81 -4.217 0.024 9.485 1.00 41.40 C ATOM 730 C HIS A 81 -5.244 -0.226 8.368 1.00 12.43 C ATOM 731 O HIS A 81 -6.212 -0.965 8.540 1.00 32.11 O ATOM 732 CB HIS A 81 -4.758 1.074 10.469 1.00 3.23 C ATOM 733 CG HIS A 81 -5.112 2.385 9.826 1.00 41.23 C ATOM 734 ND1 HIS A 81 -4.215 3.422 9.681 1.00 31.11 N ATOM 735 CD2 HIS A 81 -6.274 2.820 9.274 1.00 62.42 C ATOM 736 CE1 HIS A 81 -4.803 4.431 9.070 1.00 44.41 C ATOM 737 NE2 HIS A 81 -6.050 4.092 8.813 1.00 65.42 N ATOM 0 H HIS A 81 -2.619 1.376 9.274 1.00 41.41 H new ATOM 0 HA HIS A 81 -4.046 -0.910 10.020 1.00 41.40 H new ATOM 0 HB2 HIS A 81 -5.642 0.673 10.964 1.00 3.23 H new ATOM 0 HB3 HIS A 81 -4.012 1.250 11.244 1.00 3.23 H new ATOM 0 HD2 HIS A 81 -7.200 2.268 9.210 1.00 62.42 H new ATOM 0 HE1 HIS A 81 -4.341 5.375 8.822 1.00 44.41 H new ATOM 0 HE2 HIS A 81 -6.739 4.682 8.346 1.00 65.42 H new ATOM 746 N ASN A 82 -5.012 0.424 7.230 1.00 3.34 N ATOM 747 CA ASN A 82 -5.855 0.288 6.041 1.00 13.32 C ATOM 748 C ASN A 82 -5.180 -0.629 4.998 1.00 2.14 C ATOM 749 O ASN A 82 -4.919 -0.220 3.871 1.00 52.43 O ATOM 750 CB ASN A 82 -6.105 1.688 5.448 1.00 34.22 C ATOM 751 CG ASN A 82 -6.947 1.669 4.183 1.00 62.44 C ATOM 752 OD1 ASN A 82 -7.865 0.871 4.040 1.00 54.33 O ATOM 753 ND2 ASN A 82 -6.620 2.533 3.245 1.00 33.41 N ATOM 0 H ASN A 82 -4.229 1.065 7.104 1.00 3.34 H new ATOM 0 HA ASN A 82 -6.806 -0.168 6.318 1.00 13.32 H new ATOM 0 HB2 ASN A 82 -6.601 2.307 6.196 1.00 34.22 H new ATOM 0 HB3 ASN A 82 -5.146 2.158 5.230 1.00 34.22 H new ATOM 0 HD21 ASN A 82 -7.137 2.552 2.366 1.00 33.41 H new ATOM 0 HD22 ASN A 82 -5.850 3.184 3.397 1.00 33.41 H new ATOM 760 N ALA A 83 -4.863 -1.863 5.391 1.00 11.41 N ATOM 761 CA ALA A 83 -4.229 -2.831 4.477 1.00 53.03 C ATOM 762 C ALA A 83 -5.140 -4.034 4.181 1.00 0.53 C ATOM 763 O ALA A 83 -5.065 -4.638 3.106 1.00 52.53 O ATOM 764 CB ALA A 83 -2.901 -3.302 5.059 1.00 5.23 C ATOM 0 H ALA A 83 -5.032 -2.221 6.331 1.00 11.41 H new ATOM 0 HA ALA A 83 -4.052 -2.322 3.530 1.00 53.03 H new ATOM 0 HB1 ALA A 83 -2.439 -4.017 4.378 1.00 5.23 H new ATOM 0 HB2 ALA A 83 -2.238 -2.447 5.192 1.00 5.23 H new ATOM 0 HB3 ALA A 83 -3.075 -3.780 6.023 1.00 5.23 H new ATOM 770 N THR A 84 -5.988 -4.387 5.146 1.00 54.13 N ATOM 771 CA THR A 84 -6.920 -5.519 5.002 1.00 3.15 C ATOM 772 C THR A 84 -8.317 -5.153 5.520 1.00 33.41 C ATOM 773 O THR A 84 -8.465 -4.660 6.640 1.00 73.34 O ATOM 774 CB THR A 84 -6.427 -6.777 5.769 1.00 45.32 C ATOM 775 OG1 THR A 84 -6.283 -6.484 7.171 1.00 1.51 O ATOM 776 CG2 THR A 84 -5.093 -7.280 5.218 1.00 2.13 C ATOM 0 H THR A 84 -6.053 -3.906 6.043 1.00 54.13 H new ATOM 0 HA THR A 84 -6.965 -5.745 3.937 1.00 3.15 H new ATOM 0 HB THR A 84 -7.175 -7.558 5.632 1.00 45.32 H new ATOM 0 HG1 THR A 84 -7.018 -5.904 7.461 1.00 1.51 H new ATOM 0 HG21 THR A 84 -4.777 -8.161 5.777 1.00 2.13 H new ATOM 0 HG22 THR A 84 -5.209 -7.540 4.166 1.00 2.13 H new ATOM 0 HG23 THR A 84 -4.340 -6.498 5.317 1.00 2.13 H new ATOM 784 N GLY A 85 -9.340 -5.402 4.707 1.00 31.43 N ATOM 785 CA GLY A 85 -10.711 -5.110 5.115 1.00 60.03 C ATOM 786 C GLY A 85 -11.712 -5.206 3.967 1.00 43.44 C ATOM 787 O GLY A 85 -11.425 -5.796 2.927 1.00 54.34 O ATOM 0 H GLY A 85 -9.248 -5.801 3.773 1.00 31.43 H new ATOM 0 HA2 GLY A 85 -11.004 -5.803 5.903 1.00 60.03 H new ATOM 0 HA3 GLY A 85 -10.751 -4.107 5.541 1.00 60.03 H new ATOM 791 N ASN A 86 -12.900 -4.646 4.165 1.00 2.33 N ATOM 792 CA ASN A 86 -13.933 -4.617 3.121 1.00 52.15 C ATOM 793 C ASN A 86 -14.110 -3.203 2.551 1.00 61.34 C ATOM 794 O ASN A 86 -13.992 -2.215 3.275 1.00 60.05 O ATOM 795 CB ASN A 86 -15.268 -5.136 3.676 1.00 3.10 C ATOM 796 CG ASN A 86 -15.737 -4.391 4.915 1.00 54.22 C ATOM 797 OD1 ASN A 86 -14.940 -3.938 5.728 1.00 33.12 O ATOM 798 ND2 ASN A 86 -17.040 -4.273 5.079 1.00 52.45 N ATOM 0 H ASN A 86 -13.178 -4.203 5.041 1.00 2.33 H new ATOM 0 HA ASN A 86 -13.608 -5.269 2.310 1.00 52.15 H new ATOM 0 HB2 ASN A 86 -16.031 -5.055 2.902 1.00 3.10 H new ATOM 0 HB3 ASN A 86 -15.167 -6.195 3.914 1.00 3.10 H new ATOM 0 HD21 ASN A 86 -17.409 -3.794 5.900 1.00 52.45 H new ATOM 0 HD22 ASN A 86 -17.679 -4.661 4.385 1.00 52.45 H new ATOM 805 N ILE A 87 -14.380 -3.107 1.250 1.00 12.43 N ATOM 806 CA ILE A 87 -14.591 -1.810 0.611 1.00 51.24 C ATOM 807 C ILE A 87 -15.883 -1.162 1.117 1.00 71.31 C ATOM 808 O ILE A 87 -16.979 -1.441 0.621 1.00 61.24 O ATOM 809 CB ILE A 87 -14.643 -1.922 -0.934 1.00 15.34 C ATOM 810 CG1 ILE A 87 -13.357 -2.564 -1.472 1.00 75.23 C ATOM 811 CG2 ILE A 87 -14.849 -0.542 -1.560 1.00 74.53 C ATOM 812 CD1 ILE A 87 -13.307 -2.668 -2.984 1.00 11.13 C ATOM 0 H ILE A 87 -14.457 -3.907 0.622 1.00 12.43 H new ATOM 0 HA ILE A 87 -13.738 -1.185 0.878 1.00 51.24 H new ATOM 0 HB ILE A 87 -15.486 -2.558 -1.205 1.00 15.34 H new ATOM 0 HG12 ILE A 87 -12.501 -1.982 -1.129 1.00 75.23 H new ATOM 0 HG13 ILE A 87 -13.255 -3.562 -1.046 1.00 75.23 H new ATOM 0 HG21 ILE A 87 -14.883 -0.636 -2.645 1.00 74.53 H new ATOM 0 HG22 ILE A 87 -15.787 -0.117 -1.203 1.00 74.53 H new ATOM 0 HG23 ILE A 87 -14.024 0.112 -1.279 1.00 74.53 H new ATOM 0 HD11 ILE A 87 -12.368 -3.132 -3.286 1.00 11.13 H new ATOM 0 HD12 ILE A 87 -14.141 -3.276 -3.335 1.00 11.13 H new ATOM 0 HD13 ILE A 87 -13.376 -1.671 -3.420 1.00 11.13 H new ATOM 824 N THR A 88 -15.743 -0.314 2.125 1.00 64.10 N ATOM 825 CA THR A 88 -16.884 0.383 2.719 1.00 34.15 C ATOM 826 C THR A 88 -17.035 1.795 2.137 1.00 74.21 C ATOM 827 O THR A 88 -18.140 2.332 2.061 1.00 62.23 O ATOM 828 CB THR A 88 -16.743 0.451 4.258 1.00 50.40 C ATOM 829 OG1 THR A 88 -15.617 1.269 4.624 1.00 3.03 O ATOM 830 CG2 THR A 88 -16.576 -0.954 4.845 1.00 34.45 C ATOM 0 H THR A 88 -14.846 -0.088 2.554 1.00 64.10 H new ATOM 0 HA THR A 88 -17.782 -0.184 2.475 1.00 34.15 H new ATOM 0 HB THR A 88 -17.651 0.897 4.664 1.00 50.40 H new ATOM 0 HG1 THR A 88 -15.542 1.304 5.600 1.00 3.03 H new ATOM 0 HG21 THR A 88 -16.478 -0.886 5.929 1.00 34.45 H new ATOM 0 HG22 THR A 88 -17.448 -1.558 4.596 1.00 34.45 H new ATOM 0 HG23 THR A 88 -15.682 -1.419 4.428 1.00 34.45 H new ATOM 838 N ASP A 89 -15.914 2.380 1.711 1.00 14.44 N ATOM 839 CA ASP A 89 -15.909 3.673 1.007 1.00 65.01 C ATOM 840 C ASP A 89 -15.267 3.524 -0.383 1.00 4.41 C ATOM 841 O ASP A 89 -14.723 2.470 -0.711 1.00 63.11 O ATOM 842 CB ASP A 89 -15.132 4.727 1.807 1.00 54.45 C ATOM 843 CG ASP A 89 -15.776 5.054 3.141 1.00 21.45 C ATOM 844 OD1 ASP A 89 -16.869 5.649 3.146 1.00 62.02 O ATOM 845 OD2 ASP A 89 -15.184 4.729 4.194 1.00 14.32 O ATOM 0 H ASP A 89 -14.986 1.977 1.841 1.00 14.44 H new ATOM 0 HA ASP A 89 -16.944 3.997 0.899 1.00 65.01 H new ATOM 0 HB2 ASP A 89 -14.117 4.369 1.978 1.00 54.45 H new ATOM 0 HB3 ASP A 89 -15.053 5.639 1.215 1.00 54.45 H new ATOM 850 N THR A 90 -15.324 4.573 -1.201 1.00 54.10 N ATOM 851 CA THR A 90 -14.621 4.564 -2.493 1.00 53.23 C ATOM 852 C THR A 90 -13.343 5.407 -2.434 1.00 24.24 C ATOM 853 O THR A 90 -13.169 6.232 -1.531 1.00 1.04 O ATOM 854 CB THR A 90 -15.505 5.064 -3.661 1.00 14.40 C ATOM 855 OG1 THR A 90 -14.775 4.972 -4.895 1.00 65.42 O ATOM 856 CG2 THR A 90 -15.965 6.501 -3.444 1.00 43.13 C ATOM 0 H THR A 90 -15.840 5.430 -1.002 1.00 54.10 H new ATOM 0 HA THR A 90 -14.366 3.522 -2.685 1.00 53.23 H new ATOM 0 HB THR A 90 -16.391 4.431 -3.704 1.00 14.40 H new ATOM 0 HG1 THR A 90 -15.338 5.288 -5.632 1.00 65.42 H new ATOM 0 HG21 THR A 90 -16.583 6.816 -4.285 1.00 43.13 H new ATOM 0 HG22 THR A 90 -16.546 6.562 -2.524 1.00 43.13 H new ATOM 0 HG23 THR A 90 -15.095 7.154 -3.368 1.00 43.13 H new ATOM 864 N GLY A 91 -12.451 5.198 -3.400 1.00 30.01 N ATOM 865 CA GLY A 91 -11.166 5.888 -3.399 1.00 3.00 C ATOM 866 C GLY A 91 -10.306 5.540 -2.184 1.00 62.11 C ATOM 867 O GLY A 91 -9.640 6.405 -1.612 1.00 71.43 O ATOM 0 H GLY A 91 -12.593 4.563 -4.185 1.00 30.01 H new ATOM 0 HA2 GLY A 91 -10.622 5.633 -4.308 1.00 3.00 H new ATOM 0 HA3 GLY A 91 -11.337 6.964 -3.421 1.00 3.00 H new ATOM 871 N ILE A 92 -10.326 4.268 -1.785 1.00 43.33 N ATOM 872 CA ILE A 92 -9.558 3.812 -0.623 1.00 0.32 C ATOM 873 C ILE A 92 -8.085 3.599 -0.994 1.00 75.31 C ATOM 874 O ILE A 92 -7.758 2.709 -1.778 1.00 32.22 O ATOM 875 CB ILE A 92 -10.136 2.496 -0.034 1.00 32.14 C ATOM 876 CG1 ILE A 92 -11.588 2.706 0.426 1.00 42.32 C ATOM 877 CG2 ILE A 92 -9.270 1.991 1.125 1.00 32.14 C ATOM 878 CD1 ILE A 92 -12.231 1.466 1.018 1.00 43.22 C ATOM 0 H ILE A 92 -10.864 3.535 -2.247 1.00 43.33 H new ATOM 0 HA ILE A 92 -9.632 4.592 0.135 1.00 0.32 H new ATOM 0 HB ILE A 92 -10.128 1.738 -0.817 1.00 32.14 H new ATOM 0 HG12 ILE A 92 -11.612 3.505 1.167 1.00 42.32 H new ATOM 0 HG13 ILE A 92 -12.183 3.041 -0.423 1.00 42.32 H new ATOM 0 HG21 ILE A 92 -9.694 1.069 1.521 1.00 32.14 H new ATOM 0 HG22 ILE A 92 -8.258 1.800 0.767 1.00 32.14 H new ATOM 0 HG23 ILE A 92 -9.240 2.744 1.912 1.00 32.14 H new ATOM 0 HD11 ILE A 92 -13.254 1.695 1.318 1.00 43.22 H new ATOM 0 HD12 ILE A 92 -12.241 0.670 0.273 1.00 43.22 H new ATOM 0 HD13 ILE A 92 -11.661 1.141 1.888 1.00 43.22 H new ATOM 890 N ILE A 93 -7.204 4.427 -0.439 1.00 0.12 N ATOM 891 CA ILE A 93 -5.772 4.328 -0.732 1.00 40.03 C ATOM 892 C ILE A 93 -5.031 3.543 0.362 1.00 32.15 C ATOM 893 O ILE A 93 -5.102 3.883 1.543 1.00 51.51 O ATOM 894 CB ILE A 93 -5.127 5.727 -0.885 1.00 60.14 C ATOM 895 CG1 ILE A 93 -5.895 6.558 -1.931 1.00 11.22 C ATOM 896 CG2 ILE A 93 -3.649 5.595 -1.267 1.00 31.30 C ATOM 897 CD1 ILE A 93 -5.303 7.930 -2.180 1.00 1.11 C ATOM 0 H ILE A 93 -7.452 5.171 0.213 1.00 0.12 H new ATOM 0 HA ILE A 93 -5.681 3.793 -1.677 1.00 40.03 H new ATOM 0 HB ILE A 93 -5.184 6.247 0.071 1.00 60.14 H new ATOM 0 HG12 ILE A 93 -5.919 6.007 -2.871 1.00 11.22 H new ATOM 0 HG13 ILE A 93 -6.928 6.673 -1.602 1.00 11.22 H new ATOM 0 HG21 ILE A 93 -3.210 6.587 -1.371 1.00 31.30 H new ATOM 0 HG22 ILE A 93 -3.120 5.044 -0.490 1.00 31.30 H new ATOM 0 HG23 ILE A 93 -3.564 5.060 -2.213 1.00 31.30 H new ATOM 0 HD11 ILE A 93 -5.899 8.453 -2.928 1.00 1.11 H new ATOM 0 HD12 ILE A 93 -5.304 8.501 -1.251 1.00 1.11 H new ATOM 0 HD13 ILE A 93 -4.280 7.825 -2.540 1.00 1.11 H new ATOM 909 N VAL A 94 -4.328 2.489 -0.042 1.00 63.43 N ATOM 910 CA VAL A 94 -3.548 1.663 0.889 1.00 4.12 C ATOM 911 C VAL A 94 -2.045 1.945 0.742 1.00 64.03 C ATOM 912 O VAL A 94 -1.404 1.479 -0.199 1.00 34.24 O ATOM 913 CB VAL A 94 -3.815 0.155 0.654 1.00 0.34 C ATOM 914 CG1 VAL A 94 -2.963 -0.708 1.580 1.00 64.45 C ATOM 915 CG2 VAL A 94 -5.297 -0.156 0.837 1.00 41.53 C ATOM 0 H VAL A 94 -4.279 2.181 -1.013 1.00 63.43 H new ATOM 0 HA VAL A 94 -3.863 1.924 1.899 1.00 4.12 H new ATOM 0 HB VAL A 94 -3.534 -0.083 -0.372 1.00 0.34 H new ATOM 0 HG11 VAL A 94 -3.173 -1.761 1.391 1.00 64.45 H new ATOM 0 HG12 VAL A 94 -1.908 -0.509 1.394 1.00 64.45 H new ATOM 0 HG13 VAL A 94 -3.199 -0.471 2.617 1.00 64.45 H new ATOM 0 HG21 VAL A 94 -5.469 -1.219 0.669 1.00 41.53 H new ATOM 0 HG22 VAL A 94 -5.601 0.105 1.851 1.00 41.53 H new ATOM 0 HG23 VAL A 94 -5.881 0.424 0.122 1.00 41.53 H new ATOM 925 N ARG A 95 -1.487 2.712 1.671 1.00 10.44 N ATOM 926 CA ARG A 95 -0.078 3.127 1.590 1.00 32.02 C ATOM 927 C ARG A 95 0.849 2.289 2.482 1.00 1.40 C ATOM 928 O ARG A 95 0.813 2.394 3.706 1.00 22.44 O ATOM 929 CB ARG A 95 0.068 4.618 1.941 1.00 53.04 C ATOM 930 CG ARG A 95 -0.085 5.538 0.738 1.00 33.34 C ATOM 931 CD ARG A 95 0.062 7.006 1.110 1.00 50.02 C ATOM 932 NE ARG A 95 0.158 7.850 -0.077 1.00 4.31 N ATOM 933 CZ ARG A 95 -0.041 9.137 -0.092 1.00 14.41 C ATOM 934 NH1 ARG A 95 -0.385 9.765 0.985 1.00 42.52 N ATOM 935 NH2 ARG A 95 0.093 9.794 -1.193 1.00 71.25 N ATOM 0 H ARG A 95 -1.982 3.063 2.491 1.00 10.44 H new ATOM 0 HA ARG A 95 0.231 2.959 0.558 1.00 32.02 H new ATOM 0 HB2 ARG A 95 -0.679 4.883 2.689 1.00 53.04 H new ATOM 0 HB3 ARG A 95 1.046 4.783 2.394 1.00 53.04 H new ATOM 0 HG2 ARG A 95 0.663 5.279 -0.012 1.00 33.34 H new ATOM 0 HG3 ARG A 95 -1.062 5.377 0.283 1.00 33.34 H new ATOM 0 HD2 ARG A 95 -0.792 7.318 1.712 1.00 50.02 H new ATOM 0 HD3 ARG A 95 0.951 7.139 1.726 1.00 50.02 H new ATOM 0 HE ARG A 95 0.399 7.399 -0.960 1.00 4.31 H new ATOM 0 HH11 ARG A 95 -0.503 9.252 1.859 1.00 42.52 H new ATOM 0 HH12 ARG A 95 -0.538 10.773 0.961 1.00 42.52 H new ATOM 0 HH21 ARG A 95 0.354 9.306 -2.050 1.00 71.25 H new ATOM 0 HH22 ARG A 95 -0.062 10.802 -1.208 1.00 71.25 H new ATOM 949 N TYR A 96 1.682 1.465 1.851 1.00 42.34 N ATOM 950 CA TYR A 96 2.754 0.752 2.554 1.00 73.34 C ATOM 951 C TYR A 96 4.009 1.628 2.633 1.00 73.23 C ATOM 952 O TYR A 96 4.551 2.043 1.609 1.00 55.14 O ATOM 953 CB TYR A 96 3.080 -0.574 1.850 1.00 24.04 C ATOM 954 CG TYR A 96 2.054 -1.657 2.106 1.00 34.43 C ATOM 955 CD1 TYR A 96 0.782 -1.575 1.558 1.00 12.50 C ATOM 956 CD2 TYR A 96 2.357 -2.756 2.903 1.00 25.54 C ATOM 957 CE1 TYR A 96 -0.160 -2.552 1.800 1.00 72.13 C ATOM 958 CE2 TYR A 96 1.419 -3.737 3.150 1.00 30.31 C ATOM 959 CZ TYR A 96 0.163 -3.633 2.593 1.00 24.12 C ATOM 960 OH TYR A 96 -0.774 -4.609 2.841 1.00 22.33 O ATOM 0 H TYR A 96 1.638 1.272 0.850 1.00 42.34 H new ATOM 0 HA TYR A 96 2.411 0.530 3.565 1.00 73.34 H new ATOM 0 HB2 TYR A 96 3.153 -0.399 0.777 1.00 24.04 H new ATOM 0 HB3 TYR A 96 4.057 -0.923 2.183 1.00 24.04 H new ATOM 0 HD1 TYR A 96 0.526 -0.733 0.932 1.00 12.50 H new ATOM 0 HD2 TYR A 96 3.343 -2.843 3.336 1.00 25.54 H new ATOM 0 HE1 TYR A 96 -1.147 -2.471 1.370 1.00 72.13 H new ATOM 0 HE2 TYR A 96 1.668 -4.581 3.776 1.00 30.31 H new ATOM 0 HH TYR A 96 -0.383 -5.299 3.416 1.00 22.33 H new ATOM 970 N ILE A 97 4.457 1.907 3.852 1.00 62.01 N ATOM 971 CA ILE A 97 5.589 2.808 4.082 1.00 13.13 C ATOM 972 C ILE A 97 6.927 2.047 4.099 1.00 54.02 C ATOM 973 O ILE A 97 7.063 1.034 4.789 1.00 3.33 O ATOM 974 CB ILE A 97 5.423 3.559 5.429 1.00 43.21 C ATOM 975 CG1 ILE A 97 4.008 4.164 5.547 1.00 13.33 C ATOM 976 CG2 ILE A 97 6.488 4.645 5.573 1.00 54.01 C ATOM 977 CD1 ILE A 97 3.669 5.172 4.465 1.00 71.02 C ATOM 0 H ILE A 97 4.052 1.520 4.705 1.00 62.01 H new ATOM 0 HA ILE A 97 5.601 3.521 3.258 1.00 13.13 H new ATOM 0 HB ILE A 97 5.554 2.841 6.239 1.00 43.21 H new ATOM 0 HG12 ILE A 97 3.276 3.357 5.517 1.00 13.33 H new ATOM 0 HG13 ILE A 97 3.911 4.646 6.520 1.00 13.33 H new ATOM 0 HG21 ILE A 97 6.355 5.161 6.524 1.00 54.01 H new ATOM 0 HG22 ILE A 97 7.478 4.190 5.542 1.00 54.01 H new ATOM 0 HG23 ILE A 97 6.391 5.360 4.756 1.00 54.01 H new ATOM 0 HD11 ILE A 97 2.658 5.548 4.622 1.00 71.02 H new ATOM 0 HD12 ILE A 97 4.375 6.001 4.506 1.00 71.02 H new ATOM 0 HD13 ILE A 97 3.730 4.692 3.488 1.00 71.02 H new ATOM 989 N TYR A 98 7.913 2.533 3.342 1.00 55.33 N ATOM 990 CA TYR A 98 9.249 1.931 3.326 1.00 53.45 C ATOM 991 C TYR A 98 10.313 2.932 3.779 1.00 73.22 C ATOM 992 O TYR A 98 10.121 4.147 3.706 1.00 43.12 O ATOM 993 CB TYR A 98 9.593 1.420 1.918 1.00 62.13 C ATOM 994 CG TYR A 98 8.640 0.362 1.385 1.00 35.12 C ATOM 995 CD1 TYR A 98 7.405 0.715 0.850 1.00 13.00 C ATOM 996 CD2 TYR A 98 8.978 -0.988 1.410 1.00 45.41 C ATOM 997 CE1 TYR A 98 6.540 -0.240 0.360 1.00 22.22 C ATOM 998 CE2 TYR A 98 8.115 -1.948 0.920 1.00 21.04 C ATOM 999 CZ TYR A 98 6.899 -1.568 0.397 1.00 40.24 C ATOM 1000 OH TYR A 98 6.039 -2.520 -0.096 1.00 14.21 O ATOM 0 H TYR A 98 7.812 3.343 2.731 1.00 55.33 H new ATOM 0 HA TYR A 98 9.240 1.093 4.023 1.00 53.45 H new ATOM 0 HB2 TYR A 98 9.601 2.265 1.230 1.00 62.13 H new ATOM 0 HB3 TYR A 98 10.603 1.010 1.930 1.00 62.13 H new ATOM 0 HD1 TYR A 98 7.119 1.756 0.818 1.00 13.00 H new ATOM 0 HD2 TYR A 98 9.931 -1.290 1.819 1.00 45.41 H new ATOM 0 HE1 TYR A 98 5.585 0.053 -0.051 1.00 22.22 H new ATOM 0 HE2 TYR A 98 8.392 -2.991 0.947 1.00 21.04 H new ATOM 0 HH TYR A 98 5.558 -2.943 0.646 1.00 14.21 H new ATOM 1010 N ASP A 99 11.421 2.404 4.275 1.00 71.01 N ATOM 1011 CA ASP A 99 12.584 3.213 4.610 1.00 32.40 C ATOM 1012 C ASP A 99 13.670 3.053 3.538 1.00 53.23 C ATOM 1013 O ASP A 99 14.200 1.953 3.339 1.00 73.53 O ATOM 1014 CB ASP A 99 13.146 2.801 5.973 1.00 62.45 C ATOM 1015 CG ASP A 99 12.154 2.975 7.108 1.00 40.45 C ATOM 1016 OD1 ASP A 99 11.795 4.128 7.424 1.00 0.15 O ATOM 1017 OD2 ASP A 99 11.756 1.958 7.713 1.00 43.34 O ATOM 0 H ASP A 99 11.540 1.407 4.456 1.00 71.01 H new ATOM 0 HA ASP A 99 12.274 4.257 4.653 1.00 32.40 H new ATOM 0 HB2 ASP A 99 13.458 1.758 5.929 1.00 62.45 H new ATOM 0 HB3 ASP A 99 14.037 3.392 6.185 1.00 62.45 H new ATOM 1022 N LYS A 100 13.972 4.137 2.833 1.00 74.24 N ATOM 1023 CA LYS A 100 15.038 4.139 1.835 1.00 23.15 C ATOM 1024 C LYS A 100 16.387 3.760 2.466 1.00 60.31 C ATOM 1025 O LYS A 100 16.889 4.451 3.358 1.00 53.11 O ATOM 1026 CB LYS A 100 15.108 5.519 1.177 1.00 70.13 C ATOM 1027 CG LYS A 100 16.019 5.587 -0.041 1.00 40.14 C ATOM 1028 CD LYS A 100 15.806 6.878 -0.826 1.00 41.55 C ATOM 1029 CE LYS A 100 16.024 8.119 0.033 1.00 72.44 C ATOM 1030 NZ LYS A 100 15.614 9.356 -0.682 1.00 21.02 N ATOM 0 H LYS A 100 13.491 5.031 2.934 1.00 74.24 H new ATOM 0 HA LYS A 100 14.816 3.390 1.074 1.00 23.15 H new ATOM 0 HB2 LYS A 100 14.103 5.819 0.881 1.00 70.13 H new ATOM 0 HB3 LYS A 100 15.453 6.243 1.915 1.00 70.13 H new ATOM 0 HG2 LYS A 100 17.059 5.521 0.277 1.00 40.14 H new ATOM 0 HG3 LYS A 100 15.828 4.731 -0.688 1.00 40.14 H new ATOM 0 HD2 LYS A 100 16.489 6.902 -1.675 1.00 41.55 H new ATOM 0 HD3 LYS A 100 14.794 6.892 -1.231 1.00 41.55 H new ATOM 0 HE2 LYS A 100 15.455 8.027 0.958 1.00 72.44 H new ATOM 0 HE3 LYS A 100 17.076 8.190 0.311 1.00 72.44 H new ATOM 0 HZ1 LYS A 100 15.776 10.181 -0.069 1.00 21.02 H new ATOM 0 HZ2 LYS A 100 16.175 9.456 -1.552 1.00 21.02 H new ATOM 0 HZ3 LYS A 100 14.605 9.298 -0.925 1.00 21.02 H new ATOM 1044 N ILE A 101 16.963 2.656 2.001 1.00 35.32 N ATOM 1045 CA ILE A 101 18.179 2.098 2.599 1.00 2.43 C ATOM 1046 C ILE A 101 19.451 2.746 2.037 1.00 64.35 C ATOM 1047 O ILE A 101 19.766 2.613 0.853 1.00 54.33 O ATOM 1048 CB ILE A 101 18.260 0.562 2.384 1.00 43.33 C ATOM 1049 CG1 ILE A 101 16.941 -0.124 2.788 1.00 74.20 C ATOM 1050 CG2 ILE A 101 19.427 -0.030 3.172 1.00 74.21 C ATOM 1051 CD1 ILE A 101 16.940 -1.627 2.583 1.00 73.43 C ATOM 0 H ILE A 101 16.607 2.124 1.207 1.00 35.32 H new ATOM 0 HA ILE A 101 18.119 2.315 3.665 1.00 2.43 H new ATOM 0 HB ILE A 101 18.427 0.381 1.322 1.00 43.33 H new ATOM 0 HG12 ILE A 101 16.739 0.089 3.838 1.00 74.20 H new ATOM 0 HG13 ILE A 101 16.125 0.312 2.211 1.00 74.20 H new ATOM 0 HG21 ILE A 101 19.467 -1.107 3.009 1.00 74.21 H new ATOM 0 HG22 ILE A 101 20.360 0.423 2.836 1.00 74.21 H new ATOM 0 HG23 ILE A 101 19.288 0.171 4.234 1.00 74.21 H new ATOM 0 HD11 ILE A 101 15.977 -2.036 2.890 1.00 73.43 H new ATOM 0 HD12 ILE A 101 17.109 -1.851 1.530 1.00 73.43 H new ATOM 0 HD13 ILE A 101 17.733 -2.076 3.181 1.00 73.43 H new ATOM 1063 N ILE A 102 20.185 3.438 2.901 1.00 74.40 N ATOM 1064 CA ILE A 102 21.477 4.011 2.528 1.00 44.24 C ATOM 1065 C ILE A 102 22.573 2.942 2.626 1.00 0.11 C ATOM 1066 O ILE A 102 23.484 2.889 1.797 1.00 23.40 O ATOM 1067 CB ILE A 102 21.856 5.226 3.423 1.00 71.33 C ATOM 1068 CG1 ILE A 102 20.764 6.317 3.366 1.00 71.30 C ATOM 1069 CG2 ILE A 102 23.211 5.803 3.007 1.00 75.40 C ATOM 1070 CD1 ILE A 102 19.542 6.027 4.214 1.00 14.22 C ATOM 0 H ILE A 102 19.909 3.617 3.866 1.00 74.40 H new ATOM 0 HA ILE A 102 21.392 4.365 1.501 1.00 44.24 H new ATOM 0 HB ILE A 102 21.932 4.874 4.452 1.00 71.33 H new ATOM 0 HG12 ILE A 102 21.197 7.264 3.687 1.00 71.30 H new ATOM 0 HG13 ILE A 102 20.450 6.445 2.330 1.00 71.30 H new ATOM 0 HG21 ILE A 102 23.457 6.651 3.646 1.00 75.40 H new ATOM 0 HG22 ILE A 102 23.980 5.037 3.110 1.00 75.40 H new ATOM 0 HG23 ILE A 102 23.163 6.132 1.969 1.00 75.40 H new ATOM 0 HD11 ILE A 102 18.828 6.844 4.114 1.00 14.22 H new ATOM 0 HD12 ILE A 102 19.080 5.098 3.880 1.00 14.22 H new ATOM 0 HD13 ILE A 102 19.839 5.930 5.258 1.00 14.22 H new ATOM 1082 N ASP A 103 22.440 2.086 3.642 1.00 24.42 N ATOM 1083 CA ASP A 103 23.372 0.984 3.901 1.00 12.04 C ATOM 1084 C ASP A 103 24.729 1.495 4.400 1.00 24.44 C ATOM 1085 O ASP A 103 25.154 2.607 4.089 1.00 22.51 O ATOM 1086 CB ASP A 103 23.554 0.104 2.656 1.00 51.21 C ATOM 1087 CG ASP A 103 24.348 -1.157 2.950 1.00 74.51 C ATOM 1088 OD1 ASP A 103 24.003 -1.861 3.924 1.00 44.12 O ATOM 1089 OD2 ASP A 103 25.309 -1.460 2.211 1.00 61.31 O ATOM 0 H ASP A 103 21.675 2.138 4.315 1.00 24.42 H new ATOM 0 HA ASP A 103 22.933 0.374 4.691 1.00 12.04 H new ATOM 0 HB2 ASP A 103 22.575 -0.170 2.262 1.00 51.21 H new ATOM 0 HB3 ASP A 103 24.062 0.677 1.880 1.00 51.21 H new ATOM 1094 N VAL A 104 25.414 0.661 5.166 1.00 54.11 N ATOM 1095 CA VAL A 104 26.701 1.028 5.754 1.00 43.52 C ATOM 1096 C VAL A 104 27.871 0.741 4.799 1.00 75.42 C ATOM 1097 O VAL A 104 28.977 0.408 5.226 1.00 72.35 O ATOM 1098 CB VAL A 104 26.911 0.286 7.092 1.00 24.11 C ATOM 1099 CG1 VAL A 104 25.911 0.781 8.132 1.00 3.42 C ATOM 1100 CG2 VAL A 104 26.774 -1.220 6.892 1.00 62.14 C ATOM 0 H VAL A 104 25.101 -0.282 5.399 1.00 54.11 H new ATOM 0 HA VAL A 104 26.682 2.102 5.938 1.00 43.52 H new ATOM 0 HB VAL A 104 27.918 0.494 7.453 1.00 24.11 H new ATOM 0 HG11 VAL A 104 26.069 0.250 9.071 1.00 3.42 H new ATOM 0 HG12 VAL A 104 26.051 1.850 8.292 1.00 3.42 H new ATOM 0 HG13 VAL A 104 24.897 0.597 7.778 1.00 3.42 H new ATOM 0 HG21 VAL A 104 26.925 -1.729 7.844 1.00 62.14 H new ATOM 0 HG22 VAL A 104 25.778 -1.448 6.513 1.00 62.14 H new ATOM 0 HG23 VAL A 104 27.522 -1.561 6.176 1.00 62.14 H new ATOM 1110 N SER A 105 27.629 0.931 3.506 1.00 11.33 N ATOM 1111 CA SER A 105 28.636 0.683 2.464 1.00 4.03 C ATOM 1112 C SER A 105 29.618 1.862 2.337 1.00 20.32 C ATOM 1113 O SER A 105 30.058 2.211 1.241 1.00 11.12 O ATOM 1114 CB SER A 105 27.933 0.445 1.121 1.00 2.13 C ATOM 1115 OG SER A 105 28.863 0.147 0.088 1.00 23.04 O ATOM 0 H SER A 105 26.734 1.260 3.145 1.00 11.33 H new ATOM 0 HA SER A 105 29.209 -0.200 2.746 1.00 4.03 H new ATOM 0 HB2 SER A 105 27.224 -0.377 1.221 1.00 2.13 H new ATOM 0 HB3 SER A 105 27.358 1.330 0.849 1.00 2.13 H new ATOM 0 HG SER A 105 29.537 0.857 0.040 1.00 23.04 H new ATOM 1121 N TYR A 106 29.980 2.454 3.471 1.00 14.23 N ATOM 1122 CA TYR A 106 30.867 3.618 3.498 1.00 4.33 C ATOM 1123 C TYR A 106 32.342 3.216 3.372 1.00 3.55 C ATOM 1124 O TYR A 106 33.015 2.951 4.372 1.00 73.51 O ATOM 1125 CB TYR A 106 30.650 4.419 4.789 1.00 12.41 C ATOM 1126 CG TYR A 106 29.302 5.106 4.859 1.00 70.12 C ATOM 1127 CD1 TYR A 106 29.125 6.377 4.326 1.00 34.33 C ATOM 1128 CD2 TYR A 106 28.209 4.487 5.455 1.00 11.00 C ATOM 1129 CE1 TYR A 106 27.901 7.013 4.385 1.00 21.02 C ATOM 1130 CE2 TYR A 106 26.979 5.117 5.519 1.00 33.34 C ATOM 1131 CZ TYR A 106 26.831 6.381 4.983 1.00 21.55 C ATOM 1132 OH TYR A 106 25.611 7.015 5.043 1.00 21.14 O ATOM 0 H TYR A 106 29.671 2.145 4.393 1.00 14.23 H new ATOM 0 HA TYR A 106 30.618 4.240 2.638 1.00 4.33 H new ATOM 0 HB2 TYR A 106 30.752 3.749 5.643 1.00 12.41 H new ATOM 0 HB3 TYR A 106 31.436 5.169 4.877 1.00 12.41 H new ATOM 0 HD1 TYR A 106 29.960 6.876 3.857 1.00 34.33 H new ATOM 0 HD2 TYR A 106 28.322 3.498 5.875 1.00 11.00 H new ATOM 0 HE1 TYR A 106 27.782 8.001 3.965 1.00 21.02 H new ATOM 0 HE2 TYR A 106 26.139 4.623 5.985 1.00 33.34 H new ATOM 0 HH TYR A 106 24.963 6.435 5.494 1.00 21.14 H new ATOM 1142 N VAL A 107 32.833 3.154 2.137 1.00 3.22 N ATOM 1143 CA VAL A 107 34.240 2.836 1.882 1.00 71.24 C ATOM 1144 C VAL A 107 34.995 4.051 1.334 1.00 44.11 C ATOM 1145 O VAL A 107 34.501 4.768 0.462 1.00 43.32 O ATOM 1146 CB VAL A 107 34.382 1.650 0.900 1.00 40.13 C ATOM 1147 CG1 VAL A 107 33.770 1.973 -0.464 1.00 15.31 C ATOM 1148 CG2 VAL A 107 35.845 1.223 0.765 1.00 53.22 C ATOM 0 H VAL A 107 32.280 3.319 1.296 1.00 3.22 H new ATOM 0 HA VAL A 107 34.679 2.552 2.838 1.00 71.24 H new ATOM 0 HB VAL A 107 33.824 0.810 1.314 1.00 40.13 H new ATOM 0 HG11 VAL A 107 33.888 1.117 -1.128 1.00 15.31 H new ATOM 0 HG12 VAL A 107 32.710 2.195 -0.344 1.00 15.31 H new ATOM 0 HG13 VAL A 107 34.275 2.838 -0.894 1.00 15.31 H new ATOM 0 HG21 VAL A 107 35.917 0.387 0.069 1.00 53.22 H new ATOM 0 HG22 VAL A 107 36.435 2.059 0.390 1.00 53.22 H new ATOM 0 HG23 VAL A 107 36.226 0.918 1.739 1.00 53.22 H new ATOM 1158 N ASP A 108 36.203 4.274 1.836 1.00 62.33 N ATOM 1159 CA ASP A 108 36.982 5.452 1.451 1.00 51.23 C ATOM 1160 C ASP A 108 38.120 5.090 0.478 1.00 12.04 C ATOM 1161 O ASP A 108 39.170 5.740 0.461 1.00 14.34 O ATOM 1162 CB ASP A 108 37.552 6.118 2.706 1.00 74.24 C ATOM 1163 CG ASP A 108 36.489 6.347 3.765 1.00 25.12 C ATOM 1164 OD1 ASP A 108 36.272 5.438 4.598 1.00 71.44 O ATOM 1165 OD2 ASP A 108 35.860 7.424 3.769 1.00 44.15 O ATOM 0 H ASP A 108 36.666 3.661 2.507 1.00 62.33 H new ATOM 0 HA ASP A 108 36.318 6.145 0.934 1.00 51.23 H new ATOM 0 HB2 ASP A 108 38.345 5.494 3.118 1.00 74.24 H new ATOM 0 HB3 ASP A 108 38.005 7.072 2.436 1.00 74.24 H new ATOM 1170 N GLU A 109 37.893 4.072 -0.349 1.00 44.33 N ATOM 1171 CA GLU A 109 38.924 3.574 -1.269 1.00 72.24 C ATOM 1172 C GLU A 109 39.162 4.516 -2.465 1.00 61.42 C ATOM 1173 O GLU A 109 40.297 4.677 -2.920 1.00 24.13 O ATOM 1174 CB GLU A 109 38.553 2.170 -1.772 1.00 53.42 C ATOM 1175 CG GLU A 109 37.210 2.096 -2.494 1.00 24.34 C ATOM 1176 CD GLU A 109 36.950 0.732 -3.118 1.00 4.32 C ATOM 1177 OE1 GLU A 109 37.336 0.530 -4.290 1.00 35.15 O ATOM 1178 OE2 GLU A 109 36.368 -0.144 -2.444 1.00 72.12 O ATOM 0 H GLU A 109 37.005 3.573 -0.404 1.00 44.33 H new ATOM 0 HA GLU A 109 39.856 3.531 -0.705 1.00 72.24 H new ATOM 0 HB2 GLU A 109 39.335 1.820 -2.446 1.00 53.42 H new ATOM 0 HB3 GLU A 109 38.534 1.486 -0.924 1.00 53.42 H new ATOM 0 HG2 GLU A 109 36.411 2.326 -1.790 1.00 24.34 H new ATOM 0 HG3 GLU A 109 37.179 2.858 -3.272 1.00 24.34 H new ATOM 1185 N THR A 110 38.100 5.133 -2.979 1.00 75.43 N ATOM 1186 CA THR A 110 38.215 6.001 -4.164 1.00 71.51 C ATOM 1187 C THR A 110 38.460 7.466 -3.780 1.00 45.23 C ATOM 1188 O THR A 110 37.937 7.952 -2.774 1.00 11.54 O ATOM 1189 CB THR A 110 36.952 5.940 -5.064 1.00 63.12 C ATOM 1190 OG1 THR A 110 35.856 6.647 -4.453 1.00 41.55 O ATOM 1191 CG2 THR A 110 36.534 4.497 -5.331 1.00 5.54 C ATOM 0 H THR A 110 37.155 5.054 -2.602 1.00 75.43 H new ATOM 0 HA THR A 110 39.072 5.619 -4.719 1.00 71.51 H new ATOM 0 HB THR A 110 37.205 6.415 -6.012 1.00 63.12 H new ATOM 0 HG1 THR A 110 35.070 6.599 -5.036 1.00 41.55 H new ATOM 0 HG21 THR A 110 35.647 4.486 -5.964 1.00 5.54 H new ATOM 0 HG22 THR A 110 37.345 3.970 -5.834 1.00 5.54 H new ATOM 0 HG23 THR A 110 36.311 4.002 -4.386 1.00 5.54 H new ATOM 1199 N GLY A 111 39.254 8.164 -4.589 1.00 15.42 N ATOM 1200 CA GLY A 111 39.512 9.583 -4.360 1.00 21.34 C ATOM 1201 C GLY A 111 38.363 10.469 -4.831 1.00 30.42 C ATOM 1202 O GLY A 111 38.479 11.177 -5.834 1.00 62.41 O ATOM 0 H GLY A 111 39.727 7.773 -5.404 1.00 15.42 H new ATOM 0 HA2 GLY A 111 39.684 9.751 -3.297 1.00 21.34 H new ATOM 0 HA3 GLY A 111 40.426 9.871 -4.880 1.00 21.34 H new ATOM 1206 N LYS A 112 37.257 10.432 -4.094 1.00 11.53 N ATOM 1207 CA LYS A 112 36.042 11.169 -4.459 1.00 33.11 C ATOM 1208 C LYS A 112 36.084 12.624 -3.962 1.00 44.51 C ATOM 1209 O LYS A 112 35.974 13.568 -4.751 1.00 30.10 O ATOM 1210 CB LYS A 112 34.813 10.450 -3.880 1.00 74.21 C ATOM 1211 CG LYS A 112 33.485 11.123 -4.219 1.00 43.14 C ATOM 1212 CD LYS A 112 32.311 10.441 -3.519 1.00 70.34 C ATOM 1213 CE LYS A 112 30.994 11.157 -3.798 1.00 31.15 C ATOM 1214 NZ LYS A 112 30.676 11.192 -5.251 1.00 12.21 N ATOM 0 H LYS A 112 37.173 9.895 -3.231 1.00 11.53 H new ATOM 0 HA LYS A 112 35.978 11.197 -5.547 1.00 33.11 H new ATOM 0 HB2 LYS A 112 34.795 9.426 -4.252 1.00 74.21 H new ATOM 0 HB3 LYS A 112 34.914 10.394 -2.796 1.00 74.21 H new ATOM 0 HG2 LYS A 112 33.524 12.172 -3.926 1.00 43.14 H new ATOM 0 HG3 LYS A 112 33.330 11.099 -5.298 1.00 43.14 H new ATOM 0 HD2 LYS A 112 32.240 9.406 -3.853 1.00 70.34 H new ATOM 0 HD3 LYS A 112 32.492 10.418 -2.444 1.00 70.34 H new ATOM 0 HE2 LYS A 112 30.188 10.655 -3.262 1.00 31.15 H new ATOM 0 HE3 LYS A 112 31.047 12.176 -3.414 1.00 31.15 H new ATOM 0 HZ1 LYS A 112 29.702 11.532 -5.385 1.00 12.21 H new ATOM 0 HZ2 LYS A 112 31.337 11.833 -5.736 1.00 12.21 H new ATOM 0 HZ3 LYS A 112 30.766 10.236 -5.649 1.00 12.21 H new ATOM 1228 N ASP A 113 36.260 12.801 -2.652 1.00 52.03 N ATOM 1229 CA ASP A 113 36.232 14.133 -2.030 1.00 23.11 C ATOM 1230 C ASP A 113 37.366 14.299 -1.011 1.00 14.03 C ATOM 1231 O ASP A 113 37.286 13.815 0.118 1.00 23.25 O ATOM 1232 CB ASP A 113 34.874 14.402 -1.363 1.00 43.01 C ATOM 1233 CG ASP A 113 33.766 14.631 -2.376 1.00 3.31 C ATOM 1234 OD1 ASP A 113 33.822 15.652 -3.095 1.00 25.24 O ATOM 1235 OD2 ASP A 113 32.839 13.802 -2.465 1.00 23.42 O ATOM 0 H ASP A 113 36.424 12.038 -1.996 1.00 52.03 H new ATOM 0 HA ASP A 113 36.379 14.865 -2.824 1.00 23.11 H new ATOM 0 HB2 ASP A 113 34.611 13.557 -0.726 1.00 43.01 H new ATOM 0 HB3 ASP A 113 34.957 15.275 -0.716 1.00 43.01 H new ATOM 1240 N LEU A 114 38.427 14.983 -1.430 1.00 32.10 N ATOM 1241 CA LEU A 114 39.595 15.215 -0.574 1.00 53.12 C ATOM 1242 C LEU A 114 40.016 16.696 -0.584 1.00 31.21 C ATOM 1243 O LEU A 114 41.058 17.071 -1.121 1.00 44.43 O ATOM 1244 CB LEU A 114 40.777 14.277 -0.953 1.00 2.11 C ATOM 1245 CG LEU A 114 41.005 13.944 -2.456 1.00 44.21 C ATOM 1246 CD1 LEU A 114 39.851 13.138 -3.041 1.00 2.22 C ATOM 1247 CD2 LEU A 114 41.261 15.200 -3.288 1.00 51.44 C ATOM 0 H LEU A 114 38.505 15.390 -2.362 1.00 32.10 H new ATOM 0 HA LEU A 114 39.305 14.969 0.448 1.00 53.12 H new ATOM 0 HB2 LEU A 114 41.693 14.726 -0.570 1.00 2.11 H new ATOM 0 HB3 LEU A 114 40.637 13.335 -0.422 1.00 2.11 H new ATOM 0 HG LEU A 114 41.902 13.326 -2.502 1.00 44.21 H new ATOM 0 HD11 LEU A 114 40.050 12.927 -4.092 1.00 2.22 H new ATOM 0 HD12 LEU A 114 39.749 12.200 -2.495 1.00 2.22 H new ATOM 0 HD13 LEU A 114 38.927 13.710 -2.955 1.00 2.22 H new ATOM 0 HD21 LEU A 114 41.415 14.921 -4.330 1.00 51.44 H new ATOM 0 HD22 LEU A 114 40.402 15.867 -3.214 1.00 51.44 H new ATOM 0 HD23 LEU A 114 42.149 15.709 -2.914 1.00 51.44 H new ATOM 1259 N LEU A 115 39.176 17.539 0.005 1.00 51.31 N ATOM 1260 CA LEU A 115 39.442 18.980 0.071 1.00 45.50 C ATOM 1261 C LEU A 115 39.932 19.387 1.476 1.00 72.34 C ATOM 1262 O LEU A 115 39.330 18.998 2.479 1.00 42.44 O ATOM 1263 CB LEU A 115 38.173 19.770 -0.281 1.00 51.54 C ATOM 1264 CG LEU A 115 38.383 21.280 -0.483 1.00 52.41 C ATOM 1265 CD1 LEU A 115 39.175 21.551 -1.759 1.00 70.14 C ATOM 1266 CD2 LEU A 115 37.050 22.018 -0.503 1.00 31.44 C ATOM 0 H LEU A 115 38.302 17.253 0.446 1.00 51.31 H new ATOM 0 HA LEU A 115 40.225 19.212 -0.651 1.00 45.50 H new ATOM 0 HB2 LEU A 115 37.744 19.353 -1.192 1.00 51.54 H new ATOM 0 HB3 LEU A 115 37.440 19.623 0.512 1.00 51.54 H new ATOM 0 HG LEU A 115 38.962 21.656 0.361 1.00 52.41 H new ATOM 0 HD11 LEU A 115 39.311 22.625 -1.881 1.00 70.14 H new ATOM 0 HD12 LEU A 115 40.149 21.067 -1.692 1.00 70.14 H new ATOM 0 HD13 LEU A 115 38.631 21.154 -2.616 1.00 70.14 H new ATOM 0 HD21 LEU A 115 37.226 23.084 -0.647 1.00 31.44 H new ATOM 0 HD22 LEU A 115 36.436 21.638 -1.320 1.00 31.44 H new ATOM 0 HD23 LEU A 115 36.533 21.861 0.443 1.00 31.44 H new ATOM 1278 N PRO A 116 41.031 20.171 1.571 1.00 52.40 N ATOM 1279 CA PRO A 116 41.551 20.658 2.864 1.00 63.44 C ATOM 1280 C PRO A 116 40.471 21.345 3.724 1.00 61.12 C ATOM 1281 O PRO A 116 40.014 22.451 3.415 1.00 1.13 O ATOM 1282 CB PRO A 116 42.638 21.661 2.457 1.00 74.34 C ATOM 1283 CG PRO A 116 43.074 21.221 1.099 1.00 73.55 C ATOM 1284 CD PRO A 116 41.856 20.634 0.437 1.00 50.32 C ATOM 0 HA PRO A 116 41.917 19.840 3.484 1.00 63.44 H new ATOM 0 HB2 PRO A 116 42.249 22.679 2.437 1.00 74.34 H new ATOM 0 HB3 PRO A 116 43.469 21.651 3.162 1.00 74.34 H new ATOM 0 HG2 PRO A 116 43.463 22.061 0.524 1.00 73.55 H new ATOM 0 HG3 PRO A 116 43.874 20.484 1.167 1.00 73.55 H new ATOM 0 HD2 PRO A 116 41.330 21.376 -0.164 1.00 50.32 H new ATOM 0 HD3 PRO A 116 42.119 19.812 -0.229 1.00 50.32 H new ATOM 1292 N VAL A 117 40.056 20.676 4.797 1.00 11.22 N ATOM 1293 CA VAL A 117 39.012 21.199 5.686 1.00 13.40 C ATOM 1294 C VAL A 117 39.583 22.140 6.763 1.00 33.13 C ATOM 1295 O VAL A 117 40.566 21.818 7.439 1.00 44.30 O ATOM 1296 CB VAL A 117 38.226 20.044 6.366 1.00 54.32 C ATOM 1297 CG1 VAL A 117 39.169 19.094 7.103 1.00 61.31 C ATOM 1298 CG2 VAL A 117 37.156 20.594 7.313 1.00 21.13 C ATOM 0 H VAL A 117 40.426 19.767 5.076 1.00 11.22 H new ATOM 0 HA VAL A 117 38.332 21.776 5.059 1.00 13.40 H new ATOM 0 HB VAL A 117 37.725 19.476 5.582 1.00 54.32 H new ATOM 0 HG11 VAL A 117 38.591 18.296 7.569 1.00 61.31 H new ATOM 0 HG12 VAL A 117 39.877 18.663 6.396 1.00 61.31 H new ATOM 0 HG13 VAL A 117 39.712 19.644 7.871 1.00 61.31 H new ATOM 0 HG21 VAL A 117 36.620 19.766 7.776 1.00 21.13 H new ATOM 0 HG22 VAL A 117 37.630 21.197 8.087 1.00 21.13 H new ATOM 0 HG23 VAL A 117 36.455 21.211 6.751 1.00 21.13 H new ATOM 1308 N VAL A 118 38.963 23.308 6.915 1.00 42.03 N ATOM 1309 CA VAL A 118 39.380 24.271 7.938 1.00 53.14 C ATOM 1310 C VAL A 118 38.889 23.851 9.337 1.00 73.01 C ATOM 1311 O VAL A 118 37.757 24.143 9.732 1.00 15.11 O ATOM 1312 CB VAL A 118 38.874 25.705 7.615 1.00 61.40 C ATOM 1313 CG1 VAL A 118 39.348 26.706 8.672 1.00 24.41 C ATOM 1314 CG2 VAL A 118 39.327 26.138 6.216 1.00 61.31 C ATOM 0 H VAL A 118 38.173 23.612 6.346 1.00 42.03 H new ATOM 0 HA VAL A 118 40.470 24.279 7.936 1.00 53.14 H new ATOM 0 HB VAL A 118 37.784 25.689 7.632 1.00 61.40 H new ATOM 0 HG11 VAL A 118 38.980 27.701 8.422 1.00 24.41 H new ATOM 0 HG12 VAL A 118 38.964 26.412 9.649 1.00 24.41 H new ATOM 0 HG13 VAL A 118 40.438 26.718 8.699 1.00 24.41 H new ATOM 0 HG21 VAL A 118 38.962 27.144 6.011 1.00 61.31 H new ATOM 0 HG22 VAL A 118 40.416 26.130 6.167 1.00 61.31 H new ATOM 0 HG23 VAL A 118 38.926 25.448 5.474 1.00 61.31 H new ATOM 1324 N GLU A 119 39.742 23.136 10.067 1.00 64.02 N ATOM 1325 CA GLU A 119 39.448 22.720 11.444 1.00 30.44 C ATOM 1326 C GLU A 119 40.721 22.739 12.300 1.00 52.24 C ATOM 1327 O GLU A 119 41.827 22.545 11.792 1.00 33.33 O ATOM 1328 CB GLU A 119 38.816 21.320 11.465 1.00 43.03 C ATOM 1329 CG GLU A 119 39.643 20.242 10.765 1.00 32.21 C ATOM 1330 CD GLU A 119 39.008 18.862 10.862 1.00 34.45 C ATOM 1331 OE1 GLU A 119 37.979 18.626 10.196 1.00 72.31 O ATOM 1332 OE2 GLU A 119 39.531 18.006 11.611 1.00 3.00 O ATOM 0 H GLU A 119 40.653 22.828 9.727 1.00 64.02 H new ATOM 0 HA GLU A 119 38.736 23.429 11.866 1.00 30.44 H new ATOM 0 HB2 GLU A 119 38.657 21.022 12.501 1.00 43.03 H new ATOM 0 HB3 GLU A 119 37.835 21.371 10.994 1.00 43.03 H new ATOM 0 HG2 GLU A 119 39.766 20.508 9.715 1.00 32.21 H new ATOM 0 HG3 GLU A 119 40.640 20.211 11.205 1.00 32.21 H new ATOM 1339 N ILE A 120 40.563 22.961 13.602 1.00 31.15 N ATOM 1340 CA ILE A 120 41.711 23.086 14.503 1.00 64.22 C ATOM 1341 C ILE A 120 42.278 21.708 14.881 1.00 44.14 C ATOM 1342 O ILE A 120 41.836 21.074 15.845 1.00 62.33 O ATOM 1343 CB ILE A 120 41.360 23.885 15.798 1.00 15.22 C ATOM 1344 CG1 ILE A 120 40.956 25.342 15.470 1.00 22.21 C ATOM 1345 CG2 ILE A 120 42.540 23.877 16.775 1.00 21.22 C ATOM 1346 CD1 ILE A 120 39.625 25.486 14.756 1.00 4.41 C ATOM 0 H ILE A 120 39.656 23.058 14.058 1.00 31.15 H new ATOM 0 HA ILE A 120 42.471 23.644 13.957 1.00 64.22 H new ATOM 0 HB ILE A 120 40.508 23.392 16.266 1.00 15.22 H new ATOM 0 HG12 ILE A 120 40.918 25.912 16.398 1.00 22.21 H new ATOM 0 HG13 ILE A 120 41.734 25.790 14.852 1.00 22.21 H new ATOM 0 HG21 ILE A 120 42.275 24.439 17.670 1.00 21.22 H new ATOM 0 HG22 ILE A 120 42.779 22.849 17.049 1.00 21.22 H new ATOM 0 HG23 ILE A 120 43.407 24.337 16.302 1.00 21.22 H new ATOM 0 HD11 ILE A 120 39.425 26.541 14.568 1.00 4.41 H new ATOM 0 HD12 ILE A 120 39.660 24.949 13.808 1.00 4.41 H new ATOM 0 HD13 ILE A 120 38.832 25.072 15.378 1.00 4.41 H new ATOM 1358 N ILE A 121 43.229 21.229 14.085 1.00 33.31 N ATOM 1359 CA ILE A 121 43.946 19.988 14.395 1.00 44.12 C ATOM 1360 C ILE A 121 44.983 20.230 15.506 1.00 72.43 C ATOM 1361 O ILE A 121 45.764 21.181 15.443 1.00 21.30 O ATOM 1362 CB ILE A 121 44.640 19.402 13.135 1.00 3.33 C ATOM 1363 CG1 ILE A 121 45.611 20.426 12.515 1.00 65.51 C ATOM 1364 CG2 ILE A 121 43.593 18.959 12.111 1.00 65.12 C ATOM 1365 CD1 ILE A 121 46.331 19.922 11.279 1.00 14.13 C ATOM 0 H ILE A 121 43.524 21.679 13.219 1.00 33.31 H new ATOM 0 HA ILE A 121 43.213 19.261 14.744 1.00 44.12 H new ATOM 0 HB ILE A 121 45.221 18.530 13.437 1.00 3.33 H new ATOM 0 HG12 ILE A 121 45.056 21.328 12.257 1.00 65.51 H new ATOM 0 HG13 ILE A 121 46.351 20.710 13.264 1.00 65.51 H new ATOM 0 HG21 ILE A 121 44.093 18.550 11.233 1.00 65.12 H new ATOM 0 HG22 ILE A 121 42.953 18.195 12.552 1.00 65.12 H new ATOM 0 HG23 ILE A 121 42.986 19.816 11.817 1.00 65.12 H new ATOM 0 HD11 ILE A 121 46.995 20.700 10.902 1.00 14.13 H new ATOM 0 HD12 ILE A 121 46.915 19.038 11.533 1.00 14.13 H new ATOM 0 HD13 ILE A 121 45.601 19.666 10.512 1.00 14.13 H new ATOM 1377 N ASN A 122 44.982 19.378 16.530 1.00 51.01 N ATOM 1378 CA ASN A 122 45.846 19.587 17.699 1.00 21.31 C ATOM 1379 C ASN A 122 46.578 18.304 18.123 1.00 30.33 C ATOM 1380 O ASN A 122 46.061 17.196 17.970 1.00 22.04 O ATOM 1381 CB ASN A 122 45.021 20.133 18.870 1.00 2.32 C ATOM 1382 CG ASN A 122 43.840 19.244 19.204 1.00 72.23 C ATOM 1383 OD1 ASN A 122 43.938 18.336 20.021 1.00 40.53 O ATOM 1384 ND2 ASN A 122 42.716 19.490 18.564 1.00 23.10 N ATOM 0 H ASN A 122 44.399 18.542 16.578 1.00 51.01 H new ATOM 0 HA ASN A 122 46.607 20.314 17.414 1.00 21.31 H new ATOM 0 HB2 ASN A 122 45.660 20.230 19.748 1.00 2.32 H new ATOM 0 HB3 ASN A 122 44.663 21.133 18.624 1.00 2.32 H new ATOM 0 HD21 ASN A 122 41.892 18.916 18.742 1.00 23.10 H new ATOM 0 HD22 ASN A 122 42.670 20.254 17.890 1.00 23.10 H new ATOM 1391 N SER A 123 47.785 18.476 18.658 1.00 64.25 N ATOM 1392 CA SER A 123 48.615 17.361 19.145 1.00 43.11 C ATOM 1393 C SER A 123 49.735 17.895 20.052 1.00 30.54 C ATOM 1394 O SER A 123 49.640 19.017 20.548 1.00 22.43 O ATOM 1395 CB SER A 123 49.218 16.589 17.959 1.00 15.13 C ATOM 1396 OG SER A 123 49.991 15.482 18.398 1.00 0.32 O ATOM 0 H SER A 123 48.221 19.391 18.769 1.00 64.25 H new ATOM 0 HA SER A 123 47.987 16.682 19.722 1.00 43.11 H new ATOM 0 HB2 SER A 123 48.418 16.240 17.306 1.00 15.13 H new ATOM 0 HB3 SER A 123 49.842 17.258 17.367 1.00 15.13 H new ATOM 0 HG SER A 123 50.359 15.011 17.621 1.00 0.32 H new ATOM 1402 N GLU A 124 50.770 17.079 20.291 1.00 45.25 N ATOM 1403 CA GLU A 124 51.993 17.522 20.991 1.00 62.31 C ATOM 1404 C GLU A 124 51.801 17.666 22.516 1.00 53.23 C ATOM 1405 O GLU A 124 52.519 17.041 23.298 1.00 64.43 O ATOM 1406 CB GLU A 124 52.498 18.845 20.386 1.00 32.24 C ATOM 1407 CG GLU A 124 53.806 19.353 20.980 1.00 54.11 C ATOM 1408 CD GLU A 124 54.225 20.694 20.395 1.00 51.24 C ATOM 1409 OE1 GLU A 124 54.768 20.713 19.270 1.00 5.13 O ATOM 1410 OE2 GLU A 124 54.003 21.733 21.055 1.00 5.42 O ATOM 0 H GLU A 124 50.788 16.099 20.009 1.00 45.25 H new ATOM 0 HA GLU A 124 52.740 16.741 20.846 1.00 62.31 H new ATOM 0 HB2 GLU A 124 52.629 18.712 19.312 1.00 32.24 H new ATOM 0 HB3 GLU A 124 51.731 19.608 20.522 1.00 32.24 H new ATOM 0 HG2 GLU A 124 53.699 19.448 22.061 1.00 54.11 H new ATOM 0 HG3 GLU A 124 54.592 18.620 20.801 1.00 54.11 H new ATOM 1417 N ALA A 125 50.841 18.494 22.933 1.00 61.04 N ATOM 1418 CA ALA A 125 50.597 18.760 24.361 1.00 22.44 C ATOM 1419 C ALA A 125 50.057 17.537 25.129 1.00 12.13 C ATOM 1420 O ALA A 125 49.994 17.551 26.360 1.00 1.32 O ATOM 1421 CB ALA A 125 49.638 19.936 24.512 1.00 2.43 C ATOM 0 H ALA A 125 50.215 18.996 22.303 1.00 61.04 H new ATOM 0 HA ALA A 125 51.564 19.001 24.803 1.00 22.44 H new ATOM 0 HB1 ALA A 125 49.461 20.128 25.570 1.00 2.43 H new ATOM 0 HB2 ALA A 125 50.073 20.822 24.050 1.00 2.43 H new ATOM 0 HB3 ALA A 125 48.693 19.700 24.023 1.00 2.43 H new ATOM 1427 N ALA A 126 49.695 16.474 24.410 1.00 64.12 N ATOM 1428 CA ALA A 126 49.083 15.281 25.023 1.00 72.20 C ATOM 1429 C ALA A 126 50.126 14.320 25.632 1.00 73.31 C ATOM 1430 O ALA A 126 49.884 13.115 25.740 1.00 11.13 O ATOM 1431 CB ALA A 126 48.238 14.553 23.980 1.00 12.20 C ATOM 0 H ALA A 126 49.813 16.409 23.399 1.00 64.12 H new ATOM 0 HA ALA A 126 48.455 15.620 25.846 1.00 72.20 H new ATOM 0 HB1 ALA A 126 47.784 13.670 24.431 1.00 12.20 H new ATOM 0 HB2 ALA A 126 47.455 15.219 23.617 1.00 12.20 H new ATOM 0 HB3 ALA A 126 48.871 14.250 23.146 1.00 12.20 H new ATOM 1437 N VAL A 127 51.268 14.858 26.056 1.00 1.24 N ATOM 1438 CA VAL A 127 52.347 14.041 26.633 1.00 72.22 C ATOM 1439 C VAL A 127 52.133 13.745 28.125 1.00 52.41 C ATOM 1440 O VAL A 127 51.735 14.620 28.898 1.00 23.44 O ATOM 1441 CB VAL A 127 53.729 14.720 26.458 1.00 52.24 C ATOM 1442 CG1 VAL A 127 54.145 14.716 24.994 1.00 42.03 C ATOM 1443 CG2 VAL A 127 53.710 16.148 27.004 1.00 12.02 C ATOM 0 H VAL A 127 51.475 15.856 26.013 1.00 1.24 H new ATOM 0 HA VAL A 127 52.325 13.099 26.085 1.00 72.22 H new ATOM 0 HB VAL A 127 54.461 14.148 27.029 1.00 52.24 H new ATOM 0 HG11 VAL A 127 55.118 15.197 24.891 1.00 42.03 H new ATOM 0 HG12 VAL A 127 54.209 13.688 24.637 1.00 42.03 H new ATOM 0 HG13 VAL A 127 53.407 15.260 24.405 1.00 42.03 H new ATOM 0 HG21 VAL A 127 54.692 16.602 26.869 1.00 12.02 H new ATOM 0 HG22 VAL A 127 52.963 16.733 26.468 1.00 12.02 H new ATOM 0 HG23 VAL A 127 53.462 16.128 28.065 1.00 12.02 H new ATOM 1453 N LEU A 128 52.406 12.502 28.525 1.00 72.00 N ATOM 1454 CA LEU A 128 52.358 12.113 29.939 1.00 23.43 C ATOM 1455 C LEU A 128 53.772 12.005 30.524 1.00 72.21 C ATOM 1456 O LEU A 128 54.462 10.995 30.353 1.00 5.23 O ATOM 1457 CB LEU A 128 51.608 10.789 30.132 1.00 40.15 C ATOM 1458 CG LEU A 128 50.097 10.830 29.840 1.00 33.03 C ATOM 1459 CD1 LEU A 128 49.426 11.996 30.569 1.00 71.41 C ATOM 1460 CD2 LEU A 128 49.821 10.887 28.335 1.00 51.33 C ATOM 0 H LEU A 128 52.663 11.746 27.891 1.00 72.00 H new ATOM 0 HA LEU A 128 51.815 12.893 30.472 1.00 23.43 H new ATOM 0 HB2 LEU A 128 52.064 10.037 29.488 1.00 40.15 H new ATOM 0 HB3 LEU A 128 51.752 10.457 31.160 1.00 40.15 H new ATOM 0 HG LEU A 128 49.663 9.905 30.219 1.00 33.03 H new ATOM 0 HD11 LEU A 128 48.359 12.000 30.344 1.00 71.41 H new ATOM 0 HD12 LEU A 128 49.570 11.884 31.644 1.00 71.41 H new ATOM 0 HD13 LEU A 128 49.870 12.935 30.239 1.00 71.41 H new ATOM 0 HD21 LEU A 128 48.745 10.915 28.163 1.00 51.33 H new ATOM 0 HD22 LEU A 128 50.279 11.782 27.915 1.00 51.33 H new ATOM 0 HD23 LEU A 128 50.242 10.004 27.854 1.00 51.33 H new ATOM 1472 N GLU A 129 54.201 13.066 31.191 1.00 4.43 N ATOM 1473 CA GLU A 129 55.538 13.128 31.808 1.00 23.42 C ATOM 1474 C GLU A 129 55.644 12.217 33.045 1.00 50.30 C ATOM 1475 O GLU A 129 54.684 11.547 33.418 1.00 14.00 O ATOM 1476 CB GLU A 129 55.863 14.573 32.209 1.00 51.25 C ATOM 1477 CG GLU A 129 54.924 15.147 33.268 1.00 32.24 C ATOM 1478 CD GLU A 129 55.289 16.566 33.669 1.00 12.22 C ATOM 1479 OE1 GLU A 129 54.886 17.512 32.963 1.00 15.43 O ATOM 1480 OE2 GLU A 129 55.989 16.745 34.690 1.00 4.14 O ATOM 0 H GLU A 129 53.643 13.909 31.325 1.00 4.43 H new ATOM 0 HA GLU A 129 56.256 12.775 31.068 1.00 23.42 H new ATOM 0 HB2 GLU A 129 56.886 14.615 32.583 1.00 51.25 H new ATOM 0 HB3 GLU A 129 55.823 15.204 31.321 1.00 51.25 H new ATOM 0 HG2 GLU A 129 53.903 15.133 32.888 1.00 32.24 H new ATOM 0 HG3 GLU A 129 54.945 14.508 34.151 1.00 32.24 H new ATOM 1487 N HIS A 130 56.822 12.196 33.674 1.00 70.53 N ATOM 1488 CA HIS A 130 57.025 11.427 34.909 1.00 65.13 C ATOM 1489 C HIS A 130 58.174 12.021 35.746 1.00 30.44 C ATOM 1490 O HIS A 130 58.725 13.069 35.401 1.00 3.02 O ATOM 1491 CB HIS A 130 57.300 9.948 34.589 1.00 55.41 C ATOM 1492 CG HIS A 130 58.679 9.671 34.070 1.00 73.40 C ATOM 1493 ND1 HIS A 130 59.642 9.029 34.819 1.00 41.35 N ATOM 1494 CD2 HIS A 130 59.254 9.941 32.876 1.00 24.24 C ATOM 1495 CE1 HIS A 130 60.748 8.921 34.112 1.00 11.02 C ATOM 1496 NE2 HIS A 130 60.542 9.465 32.930 1.00 33.52 N ATOM 0 H HIS A 130 57.648 12.700 33.352 1.00 70.53 H new ATOM 0 HA HIS A 130 56.110 11.488 35.497 1.00 65.13 H new ATOM 0 HB2 HIS A 130 57.140 9.358 35.491 1.00 55.41 H new ATOM 0 HB3 HIS A 130 56.573 9.607 33.852 1.00 55.41 H new ATOM 0 HD2 HIS A 130 58.788 10.437 32.038 1.00 24.24 H new ATOM 0 HE1 HIS A 130 61.668 8.464 34.445 1.00 11.02 H new ATOM 0 HE2 HIS A 130 61.227 9.523 32.177 1.00 33.52 H new ATOM 1505 N HIS A 131 58.521 11.356 36.848 1.00 12.32 N ATOM 1506 CA HIS A 131 59.612 11.810 37.723 1.00 4.33 C ATOM 1507 C HIS A 131 60.547 10.639 38.082 1.00 71.04 C ATOM 1508 O HIS A 131 60.146 9.480 38.020 1.00 31.32 O ATOM 1509 CB HIS A 131 59.017 12.433 38.993 1.00 33.53 C ATOM 1510 CG HIS A 131 59.990 13.243 39.796 1.00 55.13 C ATOM 1511 ND1 HIS A 131 60.807 12.706 40.763 1.00 34.35 N ATOM 1512 CD2 HIS A 131 60.265 14.570 39.772 1.00 41.45 C ATOM 1513 CE1 HIS A 131 61.540 13.658 41.299 1.00 51.31 C ATOM 1514 NE2 HIS A 131 61.233 14.799 40.717 1.00 1.14 N ATOM 0 H HIS A 131 58.064 10.499 37.160 1.00 12.32 H new ATOM 0 HA HIS A 131 60.203 12.559 37.197 1.00 4.33 H new ATOM 0 HB2 HIS A 131 58.177 13.069 38.713 1.00 33.53 H new ATOM 0 HB3 HIS A 131 58.618 11.637 39.622 1.00 33.53 H new ATOM 0 HD1 HIS A 131 60.840 11.721 41.025 1.00 34.35 H new ATOM 0 HD2 HIS A 131 59.808 15.308 39.130 1.00 41.45 H new ATOM 0 HE1 HIS A 131 62.270 13.526 42.084 1.00 51.31 H new ATOM 1523 N HIS A 132 61.795 10.938 38.441 1.00 44.11 N ATOM 1524 CA HIS A 132 62.769 9.892 38.795 1.00 2.22 C ATOM 1525 C HIS A 132 62.895 9.703 40.319 1.00 11.44 C ATOM 1526 O HIS A 132 62.452 10.541 41.104 1.00 32.01 O ATOM 1527 CB HIS A 132 64.141 10.224 38.194 1.00 63.11 C ATOM 1528 CG HIS A 132 64.171 10.168 36.696 1.00 44.30 C ATOM 1529 ND1 HIS A 132 64.631 9.076 35.996 1.00 24.24 N ATOM 1530 CD2 HIS A 132 63.808 11.080 35.762 1.00 43.12 C ATOM 1531 CE1 HIS A 132 64.551 9.316 34.704 1.00 31.40 C ATOM 1532 NE2 HIS A 132 64.055 10.521 34.533 1.00 34.15 N ATOM 0 H HIS A 132 62.159 11.889 38.496 1.00 44.11 H new ATOM 0 HA HIS A 132 62.402 8.954 38.379 1.00 2.22 H new ATOM 0 HB2 HIS A 132 64.438 11.222 38.518 1.00 63.11 H new ATOM 0 HB3 HIS A 132 64.880 9.527 38.590 1.00 63.11 H new ATOM 0 HD2 HIS A 132 63.401 12.063 35.949 1.00 43.12 H new ATOM 0 HE1 HIS A 132 64.844 8.637 33.917 1.00 31.40 H new ATOM 0 HE2 HIS A 132 63.882 10.968 33.633 1.00 34.15 H new ATOM 1541 N HIS A 133 63.496 8.581 40.721 1.00 70.14 N ATOM 1542 CA HIS A 133 63.740 8.274 42.139 1.00 2.40 C ATOM 1543 C HIS A 133 65.183 7.802 42.373 1.00 1.40 C ATOM 1544 O HIS A 133 65.794 7.172 41.509 1.00 4.34 O ATOM 1545 CB HIS A 133 62.779 7.181 42.628 1.00 24.15 C ATOM 1546 CG HIS A 133 61.334 7.568 42.584 1.00 41.12 C ATOM 1547 ND1 HIS A 133 60.478 7.177 41.577 1.00 75.43 N ATOM 1548 CD2 HIS A 133 60.588 8.305 43.438 1.00 21.13 C ATOM 1549 CE1 HIS A 133 59.275 7.657 41.813 1.00 4.41 C ATOM 1550 NE2 HIS A 133 59.314 8.342 42.936 1.00 3.32 N ATOM 0 H HIS A 133 63.827 7.861 40.079 1.00 70.14 H new ATOM 0 HA HIS A 133 63.572 9.194 42.699 1.00 2.40 H new ATOM 0 HB2 HIS A 133 62.923 6.288 42.020 1.00 24.15 H new ATOM 0 HB3 HIS A 133 63.041 6.915 43.652 1.00 24.15 H new ATOM 0 HD2 HIS A 133 60.933 8.777 44.347 1.00 21.13 H new ATOM 0 HE1 HIS A 133 58.404 7.513 41.191 1.00 4.41 H new ATOM 0 HE2 HIS A 133 58.523 8.823 43.364 1.00 3.32 H new ATOM 1559 N HIS A 134 65.721 8.118 43.547 1.00 22.55 N ATOM 1560 CA HIS A 134 67.025 7.599 43.979 1.00 51.33 C ATOM 1561 C HIS A 134 66.857 6.800 45.279 1.00 20.14 C ATOM 1562 O HIS A 134 66.539 7.372 46.320 1.00 31.25 O ATOM 1563 CB HIS A 134 68.022 8.749 44.175 1.00 13.43 C ATOM 1564 CG HIS A 134 68.270 9.538 42.926 1.00 73.35 C ATOM 1565 ND1 HIS A 134 68.341 10.913 42.904 1.00 42.31 N ATOM 1566 CD2 HIS A 134 68.473 9.135 41.650 1.00 4.21 C ATOM 1567 CE1 HIS A 134 68.571 11.322 41.674 1.00 51.32 C ATOM 1568 NE2 HIS A 134 68.656 10.266 40.895 1.00 50.23 N ATOM 0 H HIS A 134 65.274 8.736 44.225 1.00 22.55 H new ATOM 0 HA HIS A 134 67.420 6.938 43.207 1.00 51.33 H new ATOM 0 HB2 HIS A 134 67.647 9.417 44.950 1.00 13.43 H new ATOM 0 HB3 HIS A 134 68.968 8.343 44.534 1.00 13.43 H new ATOM 0 HD2 HIS A 134 68.488 8.116 41.293 1.00 4.21 H new ATOM 0 HE1 HIS A 134 68.673 12.350 41.358 1.00 51.32 H new ATOM 0 HE2 HIS A 134 68.830 10.285 39.890 1.00 50.23 H new ATOM 1577 N HIS A 135 67.098 5.484 45.200 1.00 74.03 N ATOM 1578 CA HIS A 135 66.752 4.523 46.269 1.00 54.44 C ATOM 1579 C HIS A 135 65.239 4.204 46.255 1.00 24.14 C ATOM 1580 O HIS A 135 64.453 4.956 46.875 1.00 37.67 O ATOM 1581 CB HIS A 135 67.183 5.013 47.666 1.00 15.44 C ATOM 1582 CG HIS A 135 68.665 5.138 47.841 1.00 64.04 C ATOM 1583 ND1 HIS A 135 69.355 6.309 47.625 1.00 53.44 N ATOM 1584 CD2 HIS A 135 69.592 4.231 48.229 1.00 24.22 C ATOM 1585 CE1 HIS A 135 70.632 6.119 47.869 1.00 65.52 C ATOM 1586 NE2 HIS A 135 70.808 4.868 48.241 1.00 72.33 N ATOM 1587 OXT HIS A 135 64.847 3.203 45.614 1.00 37.67 O ATOM 0 H HIS A 135 67.541 5.049 44.390 1.00 74.03 H new ATOM 0 HA HIS A 135 67.309 3.610 46.060 1.00 54.44 H new ATOM 0 HB2 HIS A 135 66.723 5.982 47.857 1.00 15.44 H new ATOM 0 HB3 HIS A 135 66.796 4.323 48.416 1.00 15.44 H new ATOM 0 HD2 HIS A 135 69.409 3.197 48.482 1.00 24.22 H new ATOM 0 HE1 HIS A 135 71.408 6.865 47.779 1.00 65.52 H new ATOM 0 HE2 HIS A 135 71.700 4.443 48.496 1.00 72.33 H new TER 1596 HIS A 135