USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 864 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 59 ASN : amide:sc= -2.7 K(o=-2.7,f=-6.9!) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0213 X(o=-2.7,f=-2.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -45:sc= 0.708 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 11 MET CE :methyl 143:sc= -0.111 (180deg=-2.23) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.0687 (180deg=-0.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -111:sc= 0.121 USER MOD Single : A 32 LYS NZ :NH3+ 138:sc= -0.893 (180deg=-2.86!) USER MOD Single : A 34 TYR OH : rot 0:sc= -0.734 USER MOD Single : A 42 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -90:sc= 0.758 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.358 USER MOD Single : A 66 THR OG1 : rot -50:sc= 0.843 USER MOD Single : A 67 ASN : amide:sc= -0.0451 K(o=-0.045,f=-0.84) USER MOD Single : A 78 SER OG : rot 180:sc= -1.03 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00694) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -137:sc= 1.32 USER MOD Single : A 97 TYR OH : rot -162:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.994 -0.016 4.285 1.00 75.51 N ATOM 2 CA MET A 1 0.222 -0.748 3.951 1.00 41.12 C ATOM 3 C MET A 1 0.002 -2.253 4.071 1.00 42.51 C ATOM 4 O MET A 1 0.376 -2.866 5.070 1.00 15.12 O ATOM 5 CB MET A 1 1.371 -0.314 4.864 1.00 74.13 C ATOM 6 CG MET A 1 2.728 -0.835 4.421 1.00 5.43 C ATOM 7 SD MET A 1 4.084 -0.158 5.399 1.00 50.53 S ATOM 8 CE MET A 1 4.461 1.328 4.471 1.00 23.42 C ATOM 0 H1 MET A 1 -0.820 1.005 4.196 1.00 75.51 H new ATOM 0 H2 MET A 1 -1.757 -0.295 3.635 1.00 75.51 H new ATOM 0 H3 MET A 1 -1.274 -0.236 5.262 1.00 75.51 H new ATOM 0 HA MET A 1 0.482 -0.519 2.918 1.00 41.12 H new ATOM 0 HB2 MET A 1 1.403 0.775 4.901 1.00 74.13 H new ATOM 0 HB3 MET A 1 1.170 -0.662 5.877 1.00 74.13 H new ATOM 0 HG2 MET A 1 2.738 -1.922 4.497 1.00 5.43 H new ATOM 0 HG3 MET A 1 2.883 -0.587 3.371 1.00 5.43 H new ATOM 0 HE1 MET A 1 5.283 1.859 4.952 1.00 23.42 H new ATOM 0 HE2 MET A 1 4.748 1.059 3.455 1.00 23.42 H new ATOM 0 HE3 MET A 1 3.582 1.971 4.441 1.00 23.42 H new ATOM 18 N ALA A 2 -0.606 -2.841 3.046 1.00 13.22 N ATOM 19 CA ALA A 2 -0.874 -4.274 3.037 1.00 51.51 C ATOM 20 C ALA A 2 -0.386 -4.915 1.742 1.00 15.22 C ATOM 21 O ALA A 2 -1.057 -4.845 0.713 1.00 53.21 O ATOM 22 CB ALA A 2 -2.361 -4.534 3.230 1.00 43.11 C ATOM 0 H ALA A 2 -0.922 -2.347 2.211 1.00 13.22 H new ATOM 0 HA ALA A 2 -0.327 -4.727 3.864 1.00 51.51 H new ATOM 0 HB1 ALA A 2 -2.547 -5.608 3.221 1.00 43.11 H new ATOM 0 HB2 ALA A 2 -2.682 -4.118 4.185 1.00 43.11 H new ATOM 0 HB3 ALA A 2 -2.921 -4.062 2.422 1.00 43.11 H new ATOM 28 N ALA A 3 0.785 -5.539 1.801 1.00 4.21 N ATOM 29 CA ALA A 3 1.362 -6.193 0.633 1.00 32.42 C ATOM 30 C ALA A 3 1.722 -7.643 0.939 1.00 70.44 C ATOM 31 O ALA A 3 2.304 -7.944 1.981 1.00 4.44 O ATOM 32 CB ALA A 3 2.589 -5.433 0.154 1.00 41.53 C ATOM 0 H ALA A 3 1.353 -5.606 2.645 1.00 4.21 H new ATOM 0 HA ALA A 3 0.615 -6.190 -0.160 1.00 32.42 H new ATOM 0 HB1 ALA A 3 3.009 -5.933 -0.719 1.00 41.53 H new ATOM 0 HB2 ALA A 3 2.305 -4.415 -0.113 1.00 41.53 H new ATOM 0 HB3 ALA A 3 3.333 -5.405 0.950 1.00 41.53 H new ATOM 38 N THR A 4 1.371 -8.541 0.023 1.00 62.12 N ATOM 39 CA THR A 4 1.656 -9.960 0.195 1.00 33.01 C ATOM 40 C THR A 4 1.200 -10.450 1.565 1.00 53.22 C ATOM 41 O THR A 4 1.829 -11.321 2.165 1.00 3.00 O ATOM 42 CB THR A 4 3.158 -10.256 0.031 1.00 45.40 C ATOM 43 OG1 THR A 4 3.870 -9.841 1.202 1.00 21.24 O ATOM 44 CG2 THR A 4 3.720 -9.542 -1.189 1.00 43.41 C ATOM 0 H THR A 4 0.889 -8.310 -0.846 1.00 62.12 H new ATOM 0 HA THR A 4 1.103 -10.489 -0.581 1.00 33.01 H new ATOM 0 HB THR A 4 3.281 -11.330 -0.107 1.00 45.40 H new ATOM 0 HG1 THR A 4 3.561 -8.952 1.475 1.00 21.24 H new ATOM 0 HG21 THR A 4 4.782 -9.766 -1.284 1.00 43.41 H new ATOM 0 HG22 THR A 4 3.196 -9.881 -2.083 1.00 43.41 H new ATOM 0 HG23 THR A 4 3.585 -8.466 -1.075 1.00 43.41 H new ATOM 52 N VAL A 5 0.100 -9.885 2.054 1.00 25.04 N ATOM 53 CA VAL A 5 -0.441 -10.266 3.353 1.00 12.13 C ATOM 54 C VAL A 5 -1.857 -9.730 3.537 1.00 24.20 C ATOM 55 O VAL A 5 -2.116 -8.546 3.320 1.00 72.02 O ATOM 56 CB VAL A 5 0.444 -9.751 4.504 1.00 42.24 C ATOM 57 CG1 VAL A 5 0.536 -8.233 4.469 1.00 52.14 C ATOM 58 CG2 VAL A 5 -0.092 -10.230 5.844 1.00 53.00 C ATOM 0 H VAL A 5 -0.433 -9.162 1.570 1.00 25.04 H new ATOM 0 HA VAL A 5 -0.461 -11.355 3.380 1.00 12.13 H new ATOM 0 HB VAL A 5 1.448 -10.155 4.375 1.00 42.24 H new ATOM 0 HG11 VAL A 5 1.165 -7.888 5.289 1.00 52.14 H new ATOM 0 HG12 VAL A 5 0.970 -7.917 3.521 1.00 52.14 H new ATOM 0 HG13 VAL A 5 -0.461 -7.806 4.572 1.00 52.14 H new ATOM 0 HG21 VAL A 5 0.546 -9.857 6.645 1.00 53.00 H new ATOM 0 HG22 VAL A 5 -1.107 -9.857 5.984 1.00 53.00 H new ATOM 0 HG23 VAL A 5 -0.100 -11.320 5.864 1.00 53.00 H new ATOM 68 N CYS A 6 -2.768 -10.609 3.939 1.00 52.04 N ATOM 69 CA CYS A 6 -4.159 -10.225 4.152 1.00 51.43 C ATOM 70 C CYS A 6 -4.558 -10.416 5.611 1.00 15.22 C ATOM 71 O CYS A 6 -4.515 -11.528 6.138 1.00 23.02 O ATOM 72 CB CYS A 6 -5.081 -11.043 3.247 1.00 64.54 C ATOM 73 SG CYS A 6 -6.156 -10.045 2.191 1.00 40.35 S ATOM 0 H CYS A 6 -2.569 -11.592 4.124 1.00 52.04 H new ATOM 0 HA CYS A 6 -4.261 -9.169 3.901 1.00 51.43 H new ATOM 0 HB2 CYS A 6 -4.472 -11.692 2.617 1.00 64.54 H new ATOM 0 HB3 CYS A 6 -5.700 -11.691 3.868 1.00 64.54 H new ATOM 0 HG CYS A 6 -6.895 -10.827 1.462 1.00 40.35 H new ATOM 79 N THR A 7 -4.947 -9.323 6.261 1.00 2.02 N ATOM 80 CA THR A 7 -5.351 -9.369 7.661 1.00 72.24 C ATOM 81 C THR A 7 -6.867 -9.463 7.792 1.00 10.51 C ATOM 82 O THR A 7 -7.605 -8.921 6.969 1.00 52.22 O ATOM 83 CB THR A 7 -4.856 -8.130 8.430 1.00 62.03 C ATOM 84 OG1 THR A 7 -4.101 -7.281 7.558 1.00 70.54 O ATOM 85 CG2 THR A 7 -3.997 -8.538 9.617 1.00 1.23 C ATOM 0 H THR A 7 -4.991 -8.395 5.840 1.00 2.02 H new ATOM 0 HA THR A 7 -4.895 -10.260 8.093 1.00 72.24 H new ATOM 0 HB THR A 7 -5.726 -7.588 8.800 1.00 62.03 H new ATOM 0 HG1 THR A 7 -3.791 -6.495 8.054 1.00 70.54 H new ATOM 0 HG21 THR A 7 -3.659 -7.646 10.145 1.00 1.23 H new ATOM 0 HG22 THR A 7 -4.583 -9.160 10.294 1.00 1.23 H new ATOM 0 HG23 THR A 7 -3.133 -9.101 9.264 1.00 1.23 H new ATOM 93 N ILE A 8 -7.325 -10.152 8.832 1.00 43.41 N ATOM 94 CA ILE A 8 -8.753 -10.314 9.071 1.00 13.43 C ATOM 95 C ILE A 8 -9.120 -9.916 10.497 1.00 54.01 C ATOM 96 O ILE A 8 -8.311 -9.333 11.217 1.00 10.43 O ATOM 97 CB ILE A 8 -9.205 -11.765 8.823 1.00 41.24 C ATOM 98 CG1 ILE A 8 -7.998 -12.650 8.504 1.00 12.00 C ATOM 99 CG2 ILE A 8 -10.220 -11.817 7.691 1.00 34.00 C ATOM 100 CD1 ILE A 8 -7.450 -12.445 7.109 1.00 4.44 C ATOM 0 H ILE A 8 -6.727 -10.607 9.522 1.00 43.41 H new ATOM 0 HA ILE A 8 -9.267 -9.657 8.369 1.00 13.43 H new ATOM 0 HB ILE A 8 -9.680 -12.142 9.729 1.00 41.24 H new ATOM 0 HG12 ILE A 8 -7.209 -12.449 9.229 1.00 12.00 H new ATOM 0 HG13 ILE A 8 -8.282 -13.695 8.624 1.00 12.00 H new ATOM 0 HG21 ILE A 8 -10.530 -12.849 7.527 1.00 34.00 H new ATOM 0 HG22 ILE A 8 -11.089 -11.214 7.954 1.00 34.00 H new ATOM 0 HG23 ILE A 8 -9.769 -11.425 6.779 1.00 34.00 H new ATOM 0 HD11 ILE A 8 -6.596 -13.105 6.953 1.00 4.44 H new ATOM 0 HD12 ILE A 8 -8.224 -12.674 6.377 1.00 4.44 H new ATOM 0 HD13 ILE A 8 -7.134 -11.409 6.991 1.00 4.44 H new ATOM 112 N ALA A 9 -10.346 -10.238 10.898 1.00 1.42 N ATOM 113 CA ALA A 9 -10.819 -9.918 12.239 1.00 12.31 C ATOM 114 C ALA A 9 -9.762 -10.247 13.288 1.00 41.34 C ATOM 115 O ALA A 9 -9.531 -9.470 14.215 1.00 61.42 O ATOM 116 CB ALA A 9 -12.110 -10.666 12.536 1.00 72.33 C ATOM 0 H ALA A 9 -11.029 -10.720 10.313 1.00 1.42 H new ATOM 0 HA ALA A 9 -11.014 -8.846 12.282 1.00 12.31 H new ATOM 0 HB1 ALA A 9 -12.452 -10.417 13.541 1.00 72.33 H new ATOM 0 HB2 ALA A 9 -12.872 -10.378 11.812 1.00 72.33 H new ATOM 0 HB3 ALA A 9 -11.932 -11.739 12.468 1.00 72.33 H new ATOM 122 N ASP A 10 -9.123 -11.402 13.135 1.00 54.51 N ATOM 123 CA ASP A 10 -8.090 -11.833 14.069 1.00 62.13 C ATOM 124 C ASP A 10 -7.236 -12.941 13.460 1.00 30.22 C ATOM 125 O ASP A 10 -7.154 -14.043 14.002 1.00 71.11 O ATOM 126 CB ASP A 10 -8.722 -12.318 15.374 1.00 33.11 C ATOM 127 CG ASP A 10 -7.746 -12.297 16.533 1.00 24.05 C ATOM 128 OD1 ASP A 10 -7.404 -11.191 17.001 1.00 12.30 O ATOM 129 OD2 ASP A 10 -7.322 -13.387 16.973 1.00 41.23 O ATOM 0 H ASP A 10 -9.302 -12.056 12.373 1.00 54.51 H new ATOM 0 HA ASP A 10 -7.448 -10.979 14.282 1.00 62.13 H new ATOM 0 HB2 ASP A 10 -9.580 -11.690 15.614 1.00 33.11 H new ATOM 0 HB3 ASP A 10 -9.097 -13.332 15.237 1.00 33.11 H new ATOM 134 N MET A 11 -6.603 -12.641 12.331 1.00 50.11 N ATOM 135 CA MET A 11 -5.755 -13.612 11.649 1.00 73.10 C ATOM 136 C MET A 11 -4.920 -12.938 10.565 1.00 72.21 C ATOM 137 O MET A 11 -5.227 -11.828 10.130 1.00 55.14 O ATOM 138 CB MET A 11 -6.609 -14.723 11.035 1.00 63.43 C ATOM 139 CG MET A 11 -5.805 -15.940 10.606 1.00 63.05 C ATOM 140 SD MET A 11 -6.849 -17.304 10.056 1.00 45.43 S ATOM 141 CE MET A 11 -7.701 -16.543 8.676 1.00 4.21 C ATOM 0 H MET A 11 -6.661 -11.734 11.869 1.00 50.11 H new ATOM 0 HA MET A 11 -5.079 -14.048 12.385 1.00 73.10 H new ATOM 0 HB2 MET A 11 -7.363 -15.032 11.759 1.00 63.43 H new ATOM 0 HB3 MET A 11 -7.141 -14.326 10.170 1.00 63.43 H new ATOM 0 HG2 MET A 11 -5.128 -15.658 9.800 1.00 63.05 H new ATOM 0 HG3 MET A 11 -5.186 -16.274 11.439 1.00 63.05 H new ATOM 0 HE1 MET A 11 -7.834 -17.277 7.881 1.00 4.21 H new ATOM 0 HE2 MET A 11 -8.676 -16.183 9.004 1.00 4.21 H new ATOM 0 HE3 MET A 11 -7.112 -15.706 8.302 1.00 4.21 H new ATOM 151 N THR A 12 -3.861 -13.616 10.132 1.00 35.24 N ATOM 152 CA THR A 12 -2.981 -13.082 9.101 1.00 74.54 C ATOM 153 C THR A 12 -2.735 -14.111 8.002 1.00 11.53 C ATOM 154 O THR A 12 -1.946 -15.040 8.174 1.00 50.15 O ATOM 155 CB THR A 12 -1.628 -12.643 9.689 1.00 3.43 C ATOM 156 OG1 THR A 12 -1.839 -11.793 10.823 1.00 71.24 O ATOM 157 CG2 THR A 12 -0.797 -11.909 8.647 1.00 31.02 C ATOM 0 H THR A 12 -3.593 -14.536 10.480 1.00 35.24 H new ATOM 0 HA THR A 12 -3.483 -12.213 8.676 1.00 74.54 H new ATOM 0 HB THR A 12 -1.086 -13.536 10.000 1.00 3.43 H new ATOM 0 HG1 THR A 12 -0.973 -11.519 11.192 1.00 71.24 H new ATOM 0 HG21 THR A 12 0.154 -11.609 9.086 1.00 31.02 H new ATOM 0 HG22 THR A 12 -0.613 -12.568 7.798 1.00 31.02 H new ATOM 0 HG23 THR A 12 -1.336 -11.024 8.309 1.00 31.02 H new ATOM 165 N VAL A 13 -3.415 -13.938 6.873 1.00 2.31 N ATOM 166 CA VAL A 13 -3.268 -14.850 5.745 1.00 11.02 C ATOM 167 C VAL A 13 -2.146 -14.400 4.817 1.00 40.34 C ATOM 168 O VAL A 13 -1.970 -13.206 4.572 1.00 71.00 O ATOM 169 CB VAL A 13 -4.575 -14.959 4.938 1.00 52.12 C ATOM 170 CG1 VAL A 13 -4.414 -15.945 3.791 1.00 42.44 C ATOM 171 CG2 VAL A 13 -5.728 -15.366 5.843 1.00 22.12 C ATOM 0 H VAL A 13 -4.073 -13.175 6.715 1.00 2.31 H new ATOM 0 HA VAL A 13 -3.022 -15.828 6.158 1.00 11.02 H new ATOM 0 HB VAL A 13 -4.803 -13.980 4.515 1.00 52.12 H new ATOM 0 HG11 VAL A 13 -5.348 -16.009 3.232 1.00 42.44 H new ATOM 0 HG12 VAL A 13 -3.617 -15.606 3.129 1.00 42.44 H new ATOM 0 HG13 VAL A 13 -4.162 -16.928 4.189 1.00 42.44 H new ATOM 0 HG21 VAL A 13 -6.643 -15.438 5.256 1.00 22.12 H new ATOM 0 HG22 VAL A 13 -5.511 -16.333 6.297 1.00 22.12 H new ATOM 0 HG23 VAL A 13 -5.857 -14.619 6.626 1.00 22.12 H new ATOM 181 N ASP A 14 -1.390 -15.363 4.302 1.00 44.23 N ATOM 182 CA ASP A 14 -0.284 -15.066 3.398 1.00 74.13 C ATOM 183 C ASP A 14 -0.582 -15.573 1.990 1.00 35.02 C ATOM 184 O ASP A 14 -0.876 -16.752 1.794 1.00 41.12 O ATOM 185 CB ASP A 14 1.010 -15.695 3.916 1.00 33.24 C ATOM 186 CG ASP A 14 2.127 -14.681 4.065 1.00 20.45 C ATOM 187 OD1 ASP A 14 2.229 -13.781 3.207 1.00 50.14 O ATOM 188 OD2 ASP A 14 2.900 -14.789 5.041 1.00 62.14 O ATOM 0 H ASP A 14 -1.522 -16.356 4.495 1.00 44.23 H new ATOM 0 HA ASP A 14 -0.162 -13.984 3.357 1.00 74.13 H new ATOM 0 HB2 ASP A 14 0.821 -16.167 4.880 1.00 33.24 H new ATOM 0 HB3 ASP A 14 1.327 -16.483 3.232 1.00 33.24 H new ATOM 193 N MET A 15 -0.506 -14.674 1.014 1.00 11.04 N ATOM 194 CA MET A 15 -0.768 -15.031 -0.375 1.00 42.22 C ATOM 195 C MET A 15 0.478 -15.619 -1.029 1.00 44.14 C ATOM 196 O MET A 15 0.406 -16.208 -2.108 1.00 42.31 O ATOM 197 CB MET A 15 -1.239 -13.804 -1.159 1.00 20.40 C ATOM 198 CG MET A 15 -0.138 -12.789 -1.419 1.00 63.51 C ATOM 199 SD MET A 15 0.215 -12.582 -3.175 1.00 63.21 S ATOM 200 CE MET A 15 -1.099 -11.463 -3.655 1.00 24.33 C ATOM 0 H MET A 15 -0.265 -13.694 1.160 1.00 11.04 H new ATOM 0 HA MET A 15 -1.554 -15.786 -0.388 1.00 42.22 H new ATOM 0 HB2 MET A 15 -1.654 -14.130 -2.113 1.00 20.40 H new ATOM 0 HB3 MET A 15 -2.046 -13.320 -0.609 1.00 20.40 H new ATOM 0 HG2 MET A 15 -0.428 -11.828 -0.995 1.00 63.51 H new ATOM 0 HG3 MET A 15 0.770 -13.104 -0.904 1.00 63.51 H new ATOM 0 HE1 MET A 15 -1.016 -11.239 -4.719 1.00 24.33 H new ATOM 0 HE2 MET A 15 -2.064 -11.929 -3.457 1.00 24.33 H new ATOM 0 HE3 MET A 15 -1.017 -10.539 -3.082 1.00 24.33 H new ATOM 210 N VAL A 16 1.621 -15.455 -0.370 1.00 31.32 N ATOM 211 CA VAL A 16 2.883 -15.971 -0.887 1.00 52.21 C ATOM 212 C VAL A 16 3.342 -17.192 -0.099 1.00 32.40 C ATOM 213 O VAL A 16 4.037 -18.060 -0.628 1.00 40.20 O ATOM 214 CB VAL A 16 3.988 -14.899 -0.841 1.00 51.13 C ATOM 215 CG1 VAL A 16 3.769 -13.859 -1.929 1.00 53.14 C ATOM 216 CG2 VAL A 16 4.038 -14.244 0.531 1.00 20.30 C ATOM 0 H VAL A 16 1.699 -14.969 0.523 1.00 31.32 H new ATOM 0 HA VAL A 16 2.707 -16.257 -1.924 1.00 52.21 H new ATOM 0 HB VAL A 16 4.947 -15.383 -1.022 1.00 51.13 H new ATOM 0 HG11 VAL A 16 4.559 -13.110 -1.881 1.00 53.14 H new ATOM 0 HG12 VAL A 16 3.788 -14.344 -2.905 1.00 53.14 H new ATOM 0 HG13 VAL A 16 2.803 -13.377 -1.782 1.00 53.14 H new ATOM 0 HG21 VAL A 16 4.824 -13.489 0.545 1.00 20.30 H new ATOM 0 HG22 VAL A 16 3.079 -13.773 0.744 1.00 20.30 H new ATOM 0 HG23 VAL A 16 4.247 -15.000 1.288 1.00 20.30 H new ATOM 226 N ARG A 17 2.948 -17.254 1.169 1.00 70.02 N ATOM 227 CA ARG A 17 3.320 -18.369 2.031 1.00 74.41 C ATOM 228 C ARG A 17 2.147 -19.329 2.215 1.00 42.34 C ATOM 229 O ARG A 17 2.330 -20.480 2.611 1.00 44.21 O ATOM 230 CB ARG A 17 3.789 -17.855 3.393 1.00 44.32 C ATOM 231 CG ARG A 17 4.859 -16.779 3.301 1.00 25.12 C ATOM 232 CD ARG A 17 5.475 -16.488 4.661 1.00 31.51 C ATOM 233 NE ARG A 17 6.418 -15.375 4.608 1.00 3.12 N ATOM 234 CZ ARG A 17 7.666 -15.489 4.167 1.00 71.14 C ATOM 235 NH1 ARG A 17 8.118 -16.661 3.741 1.00 15.14 N ATOM 236 NH2 ARG A 17 8.464 -14.430 4.149 1.00 4.51 N ATOM 0 H ARG A 17 2.371 -16.545 1.622 1.00 70.02 H new ATOM 0 HA ARG A 17 4.138 -18.908 1.552 1.00 74.41 H new ATOM 0 HB2 ARG A 17 2.932 -17.458 3.937 1.00 44.32 H new ATOM 0 HB3 ARG A 17 4.176 -18.692 3.974 1.00 44.32 H new ATOM 0 HG2 ARG A 17 5.638 -17.097 2.608 1.00 25.12 H new ATOM 0 HG3 ARG A 17 4.424 -15.866 2.894 1.00 25.12 H new ATOM 0 HD2 ARG A 17 4.684 -16.259 5.376 1.00 31.51 H new ATOM 0 HD3 ARG A 17 5.986 -17.379 5.026 1.00 31.51 H new ATOM 0 HE ARG A 17 6.101 -14.459 4.927 1.00 3.12 H new ATOM 0 HH11 ARG A 17 7.507 -17.478 3.751 1.00 15.14 H new ATOM 0 HH12 ARG A 17 9.077 -16.746 3.403 1.00 15.14 H new ATOM 0 HH21 ARG A 17 8.120 -13.527 4.474 1.00 4.51 H new ATOM 0 HH22 ARG A 17 9.422 -14.519 3.810 1.00 4.51 H new ATOM 250 N ARG A 18 0.943 -18.846 1.924 1.00 24.14 N ATOM 251 CA ARG A 18 -0.259 -19.660 2.059 1.00 2.22 C ATOM 252 C ARG A 18 -0.396 -20.195 3.482 1.00 55.25 C ATOM 253 O ARG A 18 -0.588 -21.393 3.690 1.00 21.35 O ATOM 254 CB ARG A 18 -0.227 -20.823 1.066 1.00 20.02 C ATOM 255 CG ARG A 18 -0.483 -20.403 -0.372 1.00 65.21 C ATOM 256 CD ARG A 18 0.813 -20.061 -1.091 1.00 61.42 C ATOM 257 NE ARG A 18 1.706 -21.213 -1.188 1.00 74.22 N ATOM 258 CZ ARG A 18 2.861 -21.194 -1.843 1.00 25.34 C ATOM 259 NH1 ARG A 18 3.263 -20.088 -2.454 1.00 72.40 N ATOM 260 NH2 ARG A 18 3.619 -22.283 -1.886 1.00 33.02 N ATOM 0 H ARG A 18 0.774 -17.896 1.594 1.00 24.14 H new ATOM 0 HA ARG A 18 -1.121 -19.030 1.842 1.00 2.22 H new ATOM 0 HB2 ARG A 18 0.745 -21.313 1.125 1.00 20.02 H new ATOM 0 HB3 ARG A 18 -0.974 -21.560 1.359 1.00 20.02 H new ATOM 0 HG2 ARG A 18 -0.993 -21.207 -0.902 1.00 65.21 H new ATOM 0 HG3 ARG A 18 -1.148 -19.539 -0.387 1.00 65.21 H new ATOM 0 HD2 ARG A 18 0.586 -19.693 -2.092 1.00 61.42 H new ATOM 0 HD3 ARG A 18 1.319 -19.254 -0.562 1.00 61.42 H new ATOM 0 HE ARG A 18 1.427 -22.079 -0.727 1.00 74.22 H new ATOM 0 HH11 ARG A 18 2.685 -19.249 -2.422 1.00 72.40 H new ATOM 0 HH12 ARG A 18 4.151 -20.077 -2.956 1.00 72.40 H new ATOM 0 HH21 ARG A 18 3.314 -23.135 -1.416 1.00 33.02 H new ATOM 0 HH22 ARG A 18 4.506 -22.267 -2.389 1.00 33.02 H new ATOM 274 N THR A 19 -0.297 -19.298 4.458 1.00 52.10 N ATOM 275 CA THR A 19 -0.409 -19.679 5.860 1.00 22.22 C ATOM 276 C THR A 19 -1.460 -18.839 6.577 1.00 45.34 C ATOM 277 O THR A 19 -1.987 -17.877 6.017 1.00 33.41 O ATOM 278 CB THR A 19 0.938 -19.529 6.592 1.00 63.50 C ATOM 279 OG1 THR A 19 1.188 -18.149 6.881 1.00 63.35 O ATOM 280 CG2 THR A 19 2.076 -20.091 5.752 1.00 34.44 C ATOM 0 H THR A 19 -0.139 -18.302 4.303 1.00 52.10 H new ATOM 0 HA THR A 19 -0.711 -20.726 5.879 1.00 22.22 H new ATOM 0 HB THR A 19 0.884 -20.091 7.525 1.00 63.50 H new ATOM 0 HG1 THR A 19 2.045 -18.063 7.348 1.00 63.35 H new ATOM 0 HG21 THR A 19 3.017 -19.974 6.289 1.00 34.44 H new ATOM 0 HG22 THR A 19 1.898 -21.149 5.559 1.00 34.44 H new ATOM 0 HG23 THR A 19 2.129 -19.553 4.805 1.00 34.44 H new ATOM 288 N VAL A 20 -1.759 -19.206 7.818 1.00 30.54 N ATOM 289 CA VAL A 20 -2.746 -18.485 8.612 1.00 10.35 C ATOM 290 C VAL A 20 -2.281 -18.327 10.056 1.00 51.32 C ATOM 291 O VAL A 20 -2.099 -19.312 10.771 1.00 21.31 O ATOM 292 CB VAL A 20 -4.110 -19.201 8.599 1.00 25.04 C ATOM 293 CG1 VAL A 20 -4.937 -18.753 7.404 1.00 0.34 C ATOM 294 CG2 VAL A 20 -3.918 -20.710 8.590 1.00 61.13 C ATOM 0 H VAL A 20 -1.332 -19.999 8.296 1.00 30.54 H new ATOM 0 HA VAL A 20 -2.857 -17.500 8.159 1.00 10.35 H new ATOM 0 HB VAL A 20 -4.652 -18.932 9.506 1.00 25.04 H new ATOM 0 HG11 VAL A 20 -5.897 -19.269 7.412 1.00 0.34 H new ATOM 0 HG12 VAL A 20 -5.103 -17.677 7.459 1.00 0.34 H new ATOM 0 HG13 VAL A 20 -4.404 -18.991 6.483 1.00 0.34 H new ATOM 0 HG21 VAL A 20 -4.891 -21.201 8.581 1.00 61.13 H new ATOM 0 HG22 VAL A 20 -3.357 -21.000 7.702 1.00 61.13 H new ATOM 0 HG23 VAL A 20 -3.368 -21.012 9.481 1.00 61.13 H new ATOM 304 N ILE A 21 -2.091 -17.081 10.477 1.00 34.04 N ATOM 305 CA ILE A 21 -1.649 -16.794 11.836 1.00 32.03 C ATOM 306 C ILE A 21 -2.733 -16.066 12.625 1.00 63.31 C ATOM 307 O ILE A 21 -3.005 -14.890 12.385 1.00 74.14 O ATOM 308 CB ILE A 21 -0.366 -15.943 11.843 1.00 41.53 C ATOM 309 CG1 ILE A 21 0.816 -16.757 11.313 1.00 74.53 C ATOM 310 CG2 ILE A 21 -0.077 -15.431 13.246 1.00 24.21 C ATOM 311 CD1 ILE A 21 0.862 -16.843 9.803 1.00 32.32 C ATOM 0 H ILE A 21 -2.236 -16.255 9.897 1.00 34.04 H new ATOM 0 HA ILE A 21 -1.441 -17.754 12.309 1.00 32.03 H new ATOM 0 HB ILE A 21 -0.514 -15.085 11.188 1.00 41.53 H new ATOM 0 HG12 ILE A 21 1.744 -16.311 11.672 1.00 74.53 H new ATOM 0 HG13 ILE A 21 0.766 -17.765 11.725 1.00 74.53 H new ATOM 0 HG21 ILE A 21 0.833 -14.831 13.234 1.00 24.21 H new ATOM 0 HG22 ILE A 21 -0.911 -14.818 13.589 1.00 24.21 H new ATOM 0 HG23 ILE A 21 0.054 -16.276 13.922 1.00 24.21 H new ATOM 0 HD11 ILE A 21 1.725 -17.435 9.498 1.00 32.32 H new ATOM 0 HD12 ILE A 21 -0.049 -17.316 9.438 1.00 32.32 H new ATOM 0 HD13 ILE A 21 0.943 -15.840 9.384 1.00 32.32 H new ATOM 323 N ARG A 22 -3.346 -16.773 13.568 1.00 30.43 N ATOM 324 CA ARG A 22 -4.400 -16.195 14.393 1.00 4.33 C ATOM 325 C ARG A 22 -3.841 -15.713 15.729 1.00 12.40 C ATOM 326 O ARG A 22 -3.226 -16.480 16.469 1.00 33.04 O ATOM 327 CB ARG A 22 -5.510 -17.219 14.633 1.00 71.34 C ATOM 328 CG ARG A 22 -6.379 -17.472 13.412 1.00 53.24 C ATOM 329 CD ARG A 22 -7.517 -18.431 13.726 1.00 2.22 C ATOM 330 NE ARG A 22 -7.617 -19.503 12.740 1.00 73.02 N ATOM 331 CZ ARG A 22 -8.251 -20.649 12.962 1.00 15.10 C ATOM 332 NH1 ARG A 22 -8.839 -20.870 14.130 1.00 4.21 N ATOM 333 NH2 ARG A 22 -8.300 -21.577 12.014 1.00 3.54 N ATOM 0 H ARG A 22 -3.131 -17.747 13.780 1.00 30.43 H new ATOM 0 HA ARG A 22 -4.815 -15.339 13.861 1.00 4.33 H new ATOM 0 HB2 ARG A 22 -5.062 -18.160 14.951 1.00 71.34 H new ATOM 0 HB3 ARG A 22 -6.141 -16.873 15.452 1.00 71.34 H new ATOM 0 HG2 ARG A 22 -6.787 -16.527 13.052 1.00 53.24 H new ATOM 0 HG3 ARG A 22 -5.768 -17.882 12.608 1.00 53.24 H new ATOM 0 HD2 ARG A 22 -7.365 -18.862 14.716 1.00 2.22 H new ATOM 0 HD3 ARG A 22 -8.457 -17.880 13.759 1.00 2.22 H new ATOM 0 HE ARG A 22 -7.176 -19.364 11.831 1.00 73.02 H new ATOM 0 HH11 ARG A 22 -8.805 -20.159 14.861 1.00 4.21 H new ATOM 0 HH12 ARG A 22 -9.325 -21.751 14.298 1.00 4.21 H new ATOM 0 HH21 ARG A 22 -7.850 -21.411 11.114 1.00 3.54 H new ATOM 0 HH22 ARG A 22 -8.787 -22.456 12.186 1.00 3.54 H new ATOM 347 N SER A 23 -4.059 -14.436 16.030 1.00 73.42 N ATOM 348 CA SER A 23 -3.574 -13.851 17.274 1.00 53.41 C ATOM 349 C SER A 23 -2.055 -13.953 17.367 1.00 61.33 C ATOM 350 O SER A 23 -1.479 -13.850 18.449 1.00 34.51 O ATOM 351 CB SER A 23 -4.218 -14.546 18.475 1.00 71.11 C ATOM 352 OG SER A 23 -4.352 -13.655 19.569 1.00 73.14 O ATOM 0 H SER A 23 -4.568 -13.788 15.429 1.00 73.42 H new ATOM 0 HA SER A 23 -3.851 -12.797 17.282 1.00 53.41 H new ATOM 0 HB2 SER A 23 -5.198 -14.931 18.194 1.00 71.11 H new ATOM 0 HB3 SER A 23 -3.612 -15.402 18.771 1.00 71.11 H new ATOM 0 HG SER A 23 -4.767 -14.123 20.323 1.00 73.14 H new ATOM 358 N GLY A 24 -1.411 -14.157 16.221 1.00 23.35 N ATOM 359 CA GLY A 24 0.036 -14.271 16.194 1.00 12.02 C ATOM 360 C GLY A 24 0.506 -15.710 16.278 1.00 10.41 C ATOM 361 O GLY A 24 1.707 -15.977 16.331 1.00 53.50 O ATOM 0 H GLY A 24 -1.865 -14.245 15.312 1.00 23.35 H new ATOM 0 HA2 GLY A 24 0.416 -13.821 15.277 1.00 12.02 H new ATOM 0 HA3 GLY A 24 0.458 -13.705 17.025 1.00 12.02 H new ATOM 365 N LYS A 25 -0.442 -16.640 16.292 1.00 32.40 N ATOM 366 CA LYS A 25 -0.120 -18.060 16.371 1.00 70.23 C ATOM 367 C LYS A 25 -0.593 -18.795 15.121 1.00 63.44 C ATOM 368 O LYS A 25 -1.785 -18.819 14.815 1.00 51.42 O ATOM 369 CB LYS A 25 -0.761 -18.682 17.614 1.00 51.43 C ATOM 370 CG LYS A 25 -1.186 -17.660 18.654 1.00 3.23 C ATOM 371 CD LYS A 25 0.003 -16.874 19.182 1.00 21.53 C ATOM 372 CE LYS A 25 -0.103 -16.644 20.682 1.00 63.20 C ATOM 373 NZ LYS A 25 -0.047 -17.922 21.445 1.00 74.04 N ATOM 0 H LYS A 25 -1.441 -16.436 16.250 1.00 32.40 H new ATOM 0 HA LYS A 25 0.963 -18.158 16.441 1.00 70.23 H new ATOM 0 HB2 LYS A 25 -1.632 -19.264 17.311 1.00 51.43 H new ATOM 0 HB3 LYS A 25 -0.055 -19.378 18.067 1.00 51.43 H new ATOM 0 HG2 LYS A 25 -1.911 -16.974 18.216 1.00 3.23 H new ATOM 0 HG3 LYS A 25 -1.685 -18.166 19.481 1.00 3.23 H new ATOM 0 HD2 LYS A 25 0.924 -17.412 18.960 1.00 21.53 H new ATOM 0 HD3 LYS A 25 0.063 -15.914 18.669 1.00 21.53 H new ATOM 0 HE2 LYS A 25 0.707 -15.991 21.007 1.00 63.20 H new ATOM 0 HE3 LYS A 25 -1.037 -16.129 20.905 1.00 63.20 H new ATOM 0 HZ1 LYS A 25 0.330 -17.742 22.397 1.00 74.04 H new ATOM 0 HZ2 LYS A 25 -1.004 -18.323 21.522 1.00 74.04 H new ATOM 0 HZ3 LYS A 25 0.572 -18.595 20.949 1.00 74.04 H new ATOM 387 N LYS A 26 0.349 -19.397 14.402 1.00 42.43 N ATOM 388 CA LYS A 26 0.030 -20.136 13.186 1.00 14.40 C ATOM 389 C LYS A 26 -0.736 -21.414 13.512 1.00 61.12 C ATOM 390 O LYS A 26 -0.325 -22.192 14.373 1.00 22.12 O ATOM 391 CB LYS A 26 1.310 -20.476 12.420 1.00 21.33 C ATOM 392 CG LYS A 26 1.083 -21.400 11.236 1.00 21.44 C ATOM 393 CD LYS A 26 2.376 -21.672 10.485 1.00 13.21 C ATOM 394 CE LYS A 26 2.909 -20.412 9.820 1.00 73.22 C ATOM 395 NZ LYS A 26 4.159 -20.675 9.055 1.00 24.35 N ATOM 0 H LYS A 26 1.341 -19.387 14.641 1.00 42.43 H new ATOM 0 HA LYS A 26 -0.602 -19.504 12.562 1.00 14.40 H new ATOM 0 HB2 LYS A 26 1.768 -19.552 12.067 1.00 21.33 H new ATOM 0 HB3 LYS A 26 2.019 -20.943 13.103 1.00 21.33 H new ATOM 0 HG2 LYS A 26 0.658 -22.342 11.584 1.00 21.44 H new ATOM 0 HG3 LYS A 26 0.355 -20.953 10.559 1.00 21.44 H new ATOM 0 HD2 LYS A 26 3.123 -22.065 11.175 1.00 13.21 H new ATOM 0 HD3 LYS A 26 2.205 -22.439 9.730 1.00 13.21 H new ATOM 0 HE2 LYS A 26 2.151 -20.007 9.149 1.00 73.22 H new ATOM 0 HE3 LYS A 26 3.101 -19.654 10.579 1.00 73.22 H new ATOM 0 HZ1 LYS A 26 4.490 -19.792 8.617 1.00 24.35 H new ATOM 0 HZ2 LYS A 26 4.890 -21.038 9.699 1.00 24.35 H new ATOM 0 HZ3 LYS A 26 3.971 -21.380 8.314 1.00 24.35 H new ATOM 409 N ILE A 27 -1.849 -21.625 12.817 1.00 21.15 N ATOM 410 CA ILE A 27 -2.669 -22.811 13.032 1.00 53.41 C ATOM 411 C ILE A 27 -2.114 -24.009 12.269 1.00 52.41 C ATOM 412 O ILE A 27 -1.606 -23.868 11.156 1.00 23.32 O ATOM 413 CB ILE A 27 -4.128 -22.572 12.599 1.00 1.32 C ATOM 414 CG1 ILE A 27 -4.732 -21.407 13.386 1.00 42.52 C ATOM 415 CG2 ILE A 27 -4.953 -23.835 12.796 1.00 5.13 C ATOM 416 CD1 ILE A 27 -4.862 -21.681 14.868 1.00 74.14 C ATOM 0 H ILE A 27 -2.203 -20.991 12.101 1.00 21.15 H new ATOM 0 HA ILE A 27 -2.645 -23.022 14.101 1.00 53.41 H new ATOM 0 HB ILE A 27 -4.140 -22.315 11.540 1.00 1.32 H new ATOM 0 HG12 ILE A 27 -4.113 -20.522 13.242 1.00 42.52 H new ATOM 0 HG13 ILE A 27 -5.717 -21.177 12.980 1.00 42.52 H new ATOM 0 HG21 ILE A 27 -5.981 -23.650 12.486 1.00 5.13 H new ATOM 0 HG22 ILE A 27 -4.532 -24.642 12.196 1.00 5.13 H new ATOM 0 HG23 ILE A 27 -4.937 -24.119 13.848 1.00 5.13 H new ATOM 0 HD11 ILE A 27 -5.297 -20.812 15.362 1.00 74.14 H new ATOM 0 HD12 ILE A 27 -5.506 -22.547 15.023 1.00 74.14 H new ATOM 0 HD13 ILE A 27 -3.877 -21.882 15.289 1.00 74.14 H new ATOM 428 N HIS A 28 -2.217 -25.188 12.874 1.00 43.21 N ATOM 429 CA HIS A 28 -1.727 -26.412 12.250 1.00 31.14 C ATOM 430 C HIS A 28 -2.832 -27.092 11.447 1.00 22.35 C ATOM 431 O HIS A 28 -4.008 -27.024 11.808 1.00 23.10 O ATOM 432 CB HIS A 28 -1.189 -27.371 13.313 1.00 42.30 C ATOM 433 CG HIS A 28 -0.108 -28.277 12.810 1.00 43.23 C ATOM 434 ND1 HIS A 28 -0.364 -29.479 12.185 1.00 64.02 N ATOM 435 CD2 HIS A 28 1.240 -28.150 12.840 1.00 14.34 C ATOM 436 CE1 HIS A 28 0.779 -30.053 11.854 1.00 25.15 C ATOM 437 NE2 HIS A 28 1.768 -29.266 12.241 1.00 73.52 N ATOM 0 H HIS A 28 -2.635 -25.322 13.795 1.00 43.21 H new ATOM 0 HA HIS A 28 -0.919 -26.145 11.569 1.00 31.14 H new ATOM 0 HB2 HIS A 28 -0.805 -26.791 14.152 1.00 42.30 H new ATOM 0 HB3 HIS A 28 -2.011 -27.977 13.694 1.00 42.30 H new ATOM 0 HD2 HIS A 28 1.796 -27.324 13.258 1.00 14.34 H new ATOM 0 HE1 HIS A 28 0.887 -31.003 11.353 1.00 25.15 H new ATOM 0 HE2 HIS A 28 2.762 -29.457 12.115 1.00 73.52 H new ATOM 445 N LEU A 29 -2.447 -27.747 10.358 1.00 62.13 N ATOM 446 CA LEU A 29 -3.405 -28.439 9.503 1.00 62.53 C ATOM 447 C LEU A 29 -2.723 -29.549 8.708 1.00 32.14 C ATOM 448 O LEU A 29 -1.514 -29.753 8.818 1.00 63.43 O ATOM 449 CB LEU A 29 -4.074 -27.450 8.547 1.00 1.22 C ATOM 450 CG LEU A 29 -3.185 -26.326 8.014 1.00 65.11 C ATOM 451 CD1 LEU A 29 -1.972 -26.900 7.297 1.00 52.52 C ATOM 452 CD2 LEU A 29 -3.975 -25.416 7.085 1.00 3.10 C ATOM 0 H LEU A 29 -1.478 -27.814 10.046 1.00 62.13 H new ATOM 0 HA LEU A 29 -4.165 -28.888 10.142 1.00 62.53 H new ATOM 0 HB2 LEU A 29 -4.469 -28.007 7.698 1.00 1.22 H new ATOM 0 HB3 LEU A 29 -4.926 -27.001 9.058 1.00 1.22 H new ATOM 0 HG LEU A 29 -2.835 -25.733 8.859 1.00 65.11 H new ATOM 0 HD11 LEU A 29 -1.351 -26.086 6.924 1.00 52.52 H new ATOM 0 HD12 LEU A 29 -1.394 -27.509 7.991 1.00 52.52 H new ATOM 0 HD13 LEU A 29 -2.302 -27.517 6.461 1.00 52.52 H new ATOM 0 HD21 LEU A 29 -3.326 -24.622 6.715 1.00 3.10 H new ATOM 0 HD22 LEU A 29 -4.354 -25.996 6.244 1.00 3.10 H new ATOM 0 HD23 LEU A 29 -4.811 -24.977 7.630 1.00 3.10 H new ATOM 464 N THR A 30 -3.507 -30.263 7.906 1.00 31.13 N ATOM 465 CA THR A 30 -2.980 -31.351 7.093 1.00 63.05 C ATOM 466 C THR A 30 -2.956 -30.972 5.616 1.00 35.02 C ATOM 467 O THR A 30 -3.301 -29.850 5.248 1.00 41.12 O ATOM 468 CB THR A 30 -3.809 -32.637 7.268 1.00 55.12 C ATOM 469 OG1 THR A 30 -3.108 -33.753 6.708 1.00 0.30 O ATOM 470 CG2 THR A 30 -5.169 -32.499 6.599 1.00 1.13 C ATOM 0 H THR A 30 -4.510 -30.107 7.803 1.00 31.13 H new ATOM 0 HA THR A 30 -1.962 -31.536 7.435 1.00 63.05 H new ATOM 0 HB THR A 30 -3.961 -32.802 8.335 1.00 55.12 H new ATOM 0 HG1 THR A 30 -3.579 -34.067 5.908 1.00 0.30 H new ATOM 0 HG21 THR A 30 -5.737 -33.419 6.736 1.00 1.13 H new ATOM 0 HG22 THR A 30 -5.712 -31.667 7.048 1.00 1.13 H new ATOM 0 HG23 THR A 30 -5.033 -32.311 5.534 1.00 1.13 H new ATOM 478 N GLY A 31 -2.548 -31.916 4.774 1.00 73.33 N ATOM 479 CA GLY A 31 -2.489 -31.661 3.346 1.00 25.53 C ATOM 480 C GLY A 31 -3.828 -31.241 2.776 1.00 54.32 C ATOM 481 O GLY A 31 -3.932 -30.211 2.109 1.00 14.10 O ATOM 0 H GLY A 31 -2.257 -32.853 5.055 1.00 73.33 H new ATOM 0 HA2 GLY A 31 -1.753 -30.881 3.150 1.00 25.53 H new ATOM 0 HA3 GLY A 31 -2.145 -32.560 2.834 1.00 25.53 H new ATOM 485 N LYS A 32 -4.858 -32.040 3.036 1.00 4.32 N ATOM 486 CA LYS A 32 -6.198 -31.746 2.544 1.00 34.01 C ATOM 487 C LYS A 32 -6.679 -30.390 3.051 1.00 51.01 C ATOM 488 O LYS A 32 -7.091 -29.535 2.267 1.00 24.42 O ATOM 489 CB LYS A 32 -7.175 -32.841 2.980 1.00 50.30 C ATOM 490 CG LYS A 32 -8.585 -32.643 2.451 1.00 32.34 C ATOM 491 CD LYS A 32 -8.803 -33.396 1.150 1.00 74.51 C ATOM 492 CE LYS A 32 -8.899 -34.896 1.383 1.00 35.43 C ATOM 493 NZ LYS A 32 -10.129 -35.263 2.139 1.00 55.44 N ATOM 0 H LYS A 32 -4.789 -32.897 3.585 1.00 4.32 H new ATOM 0 HA LYS A 32 -6.159 -31.714 1.455 1.00 34.01 H new ATOM 0 HB2 LYS A 32 -6.801 -33.807 2.640 1.00 50.30 H new ATOM 0 HB3 LYS A 32 -7.206 -32.876 4.069 1.00 50.30 H new ATOM 0 HG2 LYS A 32 -9.305 -32.984 3.195 1.00 32.34 H new ATOM 0 HG3 LYS A 32 -8.769 -31.580 2.293 1.00 32.34 H new ATOM 0 HD2 LYS A 32 -9.716 -33.042 0.672 1.00 74.51 H new ATOM 0 HD3 LYS A 32 -7.982 -33.185 0.464 1.00 74.51 H new ATOM 0 HE2 LYS A 32 -8.895 -35.413 0.424 1.00 35.43 H new ATOM 0 HE3 LYS A 32 -8.021 -35.235 1.932 1.00 35.43 H new ATOM 0 HZ1 LYS A 32 -10.551 -36.117 1.722 1.00 55.44 H new ATOM 0 HZ2 LYS A 32 -9.884 -35.447 3.133 1.00 55.44 H new ATOM 0 HZ3 LYS A 32 -10.813 -34.481 2.091 1.00 55.44 H new ATOM 507 N GLU A 33 -6.622 -30.200 4.365 1.00 33.45 N ATOM 508 CA GLU A 33 -7.052 -28.947 4.975 1.00 23.31 C ATOM 509 C GLU A 33 -6.297 -27.764 4.376 1.00 61.11 C ATOM 510 O GLU A 33 -6.874 -26.703 4.136 1.00 62.23 O ATOM 511 CB GLU A 33 -6.835 -28.991 6.489 1.00 11.52 C ATOM 512 CG GLU A 33 -7.870 -29.821 7.229 1.00 73.43 C ATOM 513 CD GLU A 33 -7.467 -30.117 8.660 1.00 23.31 C ATOM 514 OE1 GLU A 33 -6.453 -29.550 9.119 1.00 31.12 O ATOM 515 OE2 GLU A 33 -8.163 -30.915 9.321 1.00 75.53 O ATOM 0 H GLU A 33 -6.282 -30.897 5.028 1.00 33.45 H new ATOM 0 HA GLU A 33 -8.115 -28.818 4.771 1.00 23.31 H new ATOM 0 HB2 GLU A 33 -5.844 -29.395 6.694 1.00 11.52 H new ATOM 0 HB3 GLU A 33 -6.851 -27.973 6.879 1.00 11.52 H new ATOM 0 HG2 GLU A 33 -8.823 -29.293 7.226 1.00 73.43 H new ATOM 0 HG3 GLU A 33 -8.024 -30.760 6.698 1.00 73.43 H new ATOM 522 N TYR A 34 -5.004 -27.954 4.138 1.00 71.21 N ATOM 523 CA TYR A 34 -4.169 -26.903 3.570 1.00 42.32 C ATOM 524 C TYR A 34 -4.533 -26.646 2.111 1.00 72.02 C ATOM 525 O TYR A 34 -4.404 -25.527 1.614 1.00 65.23 O ATOM 526 CB TYR A 34 -2.691 -27.282 3.679 1.00 41.41 C ATOM 527 CG TYR A 34 -1.763 -26.304 2.994 1.00 1.10 C ATOM 528 CD1 TYR A 34 -1.482 -26.416 1.638 1.00 5.21 C ATOM 529 CD2 TYR A 34 -1.168 -25.267 3.703 1.00 34.21 C ATOM 530 CE1 TYR A 34 -0.634 -25.525 1.009 1.00 63.13 C ATOM 531 CE2 TYR A 34 -0.320 -24.371 3.082 1.00 54.05 C ATOM 532 CZ TYR A 34 -0.056 -24.504 1.734 1.00 22.44 C ATOM 533 OH TYR A 34 0.788 -23.614 1.111 1.00 61.33 O ATOM 0 H TYR A 34 -4.512 -28.826 4.330 1.00 71.21 H new ATOM 0 HA TYR A 34 -4.346 -25.988 4.136 1.00 42.32 H new ATOM 0 HB2 TYR A 34 -2.419 -27.351 4.732 1.00 41.41 H new ATOM 0 HB3 TYR A 34 -2.546 -28.272 3.246 1.00 41.41 H new ATOM 0 HD1 TYR A 34 -1.934 -27.213 1.066 1.00 5.21 H new ATOM 0 HD2 TYR A 34 -1.372 -25.160 4.758 1.00 34.21 H new ATOM 0 HE1 TYR A 34 -0.425 -25.628 -0.046 1.00 63.13 H new ATOM 0 HE2 TYR A 34 0.134 -23.571 3.648 1.00 54.05 H new ATOM 0 HH TYR A 34 0.868 -23.848 0.163 1.00 61.33 H new ATOM 543 N VAL A 35 -4.991 -27.691 1.429 1.00 22.52 N ATOM 544 CA VAL A 35 -5.376 -27.581 0.027 1.00 14.14 C ATOM 545 C VAL A 35 -6.653 -26.762 -0.128 1.00 43.35 C ATOM 546 O VAL A 35 -6.767 -25.937 -1.036 1.00 51.30 O ATOM 547 CB VAL A 35 -5.589 -28.968 -0.607 1.00 71.03 C ATOM 548 CG1 VAL A 35 -6.413 -28.852 -1.881 1.00 32.25 C ATOM 549 CG2 VAL A 35 -4.251 -29.636 -0.887 1.00 74.12 C ATOM 0 H VAL A 35 -5.105 -28.624 1.825 1.00 22.52 H new ATOM 0 HA VAL A 35 -4.558 -27.077 -0.488 1.00 14.14 H new ATOM 0 HB VAL A 35 -6.140 -29.590 0.098 1.00 71.03 H new ATOM 0 HG11 VAL A 35 -6.553 -29.842 -2.315 1.00 32.25 H new ATOM 0 HG12 VAL A 35 -7.385 -28.417 -1.647 1.00 32.25 H new ATOM 0 HG13 VAL A 35 -5.892 -28.214 -2.594 1.00 32.25 H new ATOM 0 HG21 VAL A 35 -4.420 -30.615 -1.335 1.00 74.12 H new ATOM 0 HG22 VAL A 35 -3.672 -29.018 -1.573 1.00 74.12 H new ATOM 0 HG23 VAL A 35 -3.701 -29.754 0.047 1.00 74.12 H new ATOM 559 N LEU A 36 -7.610 -26.994 0.762 1.00 14.13 N ATOM 560 CA LEU A 36 -8.880 -26.277 0.725 1.00 53.32 C ATOM 561 C LEU A 36 -8.718 -24.854 1.251 1.00 70.20 C ATOM 562 O LEU A 36 -9.429 -23.940 0.830 1.00 22.44 O ATOM 563 CB LEU A 36 -9.933 -27.020 1.549 1.00 70.44 C ATOM 564 CG LEU A 36 -10.654 -28.167 0.839 1.00 52.45 C ATOM 565 CD1 LEU A 36 -9.673 -29.270 0.474 1.00 72.10 C ATOM 566 CD2 LEU A 36 -11.775 -28.713 1.711 1.00 62.51 C ATOM 0 H LEU A 36 -7.531 -27.673 1.519 1.00 14.13 H new ATOM 0 HA LEU A 36 -9.209 -26.226 -0.313 1.00 53.32 H new ATOM 0 HB2 LEU A 36 -9.452 -27.418 2.443 1.00 70.44 H new ATOM 0 HB3 LEU A 36 -10.680 -26.299 1.883 1.00 70.44 H new ATOM 0 HG LEU A 36 -11.092 -27.781 -0.081 1.00 52.45 H new ATOM 0 HD11 LEU A 36 -10.204 -30.077 -0.030 1.00 72.10 H new ATOM 0 HD12 LEU A 36 -8.906 -28.870 -0.190 1.00 72.10 H new ATOM 0 HD13 LEU A 36 -9.204 -29.654 1.380 1.00 72.10 H new ATOM 0 HD21 LEU A 36 -12.277 -29.528 1.190 1.00 62.51 H new ATOM 0 HD22 LEU A 36 -11.360 -29.083 2.648 1.00 62.51 H new ATOM 0 HD23 LEU A 36 -12.493 -27.920 1.920 1.00 62.51 H new ATOM 578 N LEU A 37 -7.777 -24.673 2.171 1.00 34.23 N ATOM 579 CA LEU A 37 -7.519 -23.361 2.754 1.00 54.11 C ATOM 580 C LEU A 37 -6.689 -22.499 1.808 1.00 21.13 C ATOM 581 O LEU A 37 -7.073 -21.378 1.476 1.00 33.34 O ATOM 582 CB LEU A 37 -6.797 -23.509 4.094 1.00 32.12 C ATOM 583 CG LEU A 37 -7.672 -23.404 5.344 1.00 75.25 C ATOM 584 CD1 LEU A 37 -8.151 -21.974 5.542 1.00 62.33 C ATOM 585 CD2 LEU A 37 -8.856 -24.356 5.247 1.00 50.11 C ATOM 0 H LEU A 37 -7.180 -25.418 2.529 1.00 34.23 H new ATOM 0 HA LEU A 37 -8.478 -22.869 2.918 1.00 54.11 H new ATOM 0 HB2 LEU A 37 -6.294 -24.476 4.108 1.00 32.12 H new ATOM 0 HB3 LEU A 37 -6.022 -22.745 4.152 1.00 32.12 H new ATOM 0 HG LEU A 37 -7.072 -23.688 6.209 1.00 75.25 H new ATOM 0 HD11 LEU A 37 -8.772 -21.919 6.436 1.00 62.33 H new ATOM 0 HD12 LEU A 37 -7.291 -21.315 5.657 1.00 62.33 H new ATOM 0 HD13 LEU A 37 -8.734 -21.662 4.675 1.00 62.33 H new ATOM 0 HD21 LEU A 37 -9.468 -24.268 6.145 1.00 50.11 H new ATOM 0 HD22 LEU A 37 -9.456 -24.103 4.373 1.00 50.11 H new ATOM 0 HD23 LEU A 37 -8.493 -25.380 5.154 1.00 50.11 H new ATOM 597 N GLU A 38 -5.550 -23.032 1.377 1.00 43.40 N ATOM 598 CA GLU A 38 -4.666 -22.311 0.468 1.00 12.31 C ATOM 599 C GLU A 38 -5.434 -21.806 -0.750 1.00 44.24 C ATOM 600 O GLU A 38 -5.143 -20.733 -1.281 1.00 4.11 O ATOM 601 CB GLU A 38 -3.513 -23.212 0.021 1.00 50.51 C ATOM 602 CG GLU A 38 -3.933 -24.298 -0.955 1.00 24.11 C ATOM 603 CD GLU A 38 -3.716 -23.898 -2.401 1.00 63.55 C ATOM 604 OE1 GLU A 38 -3.610 -22.684 -2.671 1.00 41.42 O ATOM 605 OE2 GLU A 38 -3.652 -24.800 -3.263 1.00 52.44 O ATOM 0 H GLU A 38 -5.218 -23.959 1.642 1.00 43.40 H new ATOM 0 HA GLU A 38 -4.260 -21.452 1.002 1.00 12.31 H new ATOM 0 HB2 GLU A 38 -2.741 -22.597 -0.442 1.00 50.51 H new ATOM 0 HB3 GLU A 38 -3.065 -23.678 0.899 1.00 50.51 H new ATOM 0 HG2 GLU A 38 -3.370 -25.207 -0.745 1.00 24.11 H new ATOM 0 HG3 GLU A 38 -4.986 -24.532 -0.801 1.00 24.11 H new ATOM 612 N LEU A 39 -6.415 -22.587 -1.189 1.00 43.53 N ATOM 613 CA LEU A 39 -7.225 -22.220 -2.346 1.00 22.02 C ATOM 614 C LEU A 39 -8.290 -21.198 -1.963 1.00 12.15 C ATOM 615 O LEU A 39 -8.552 -20.250 -2.704 1.00 43.12 O ATOM 616 CB LEU A 39 -7.886 -23.463 -2.944 1.00 51.35 C ATOM 617 CG LEU A 39 -7.846 -23.576 -4.469 1.00 14.31 C ATOM 618 CD1 LEU A 39 -8.614 -22.429 -5.109 1.00 62.52 C ATOM 619 CD2 LEU A 39 -6.408 -23.600 -4.965 1.00 1.53 C ATOM 0 H LEU A 39 -6.669 -23.478 -0.762 1.00 43.53 H new ATOM 0 HA LEU A 39 -6.568 -21.771 -3.091 1.00 22.02 H new ATOM 0 HB2 LEU A 39 -7.405 -24.345 -2.521 1.00 51.35 H new ATOM 0 HB3 LEU A 39 -8.928 -23.485 -2.625 1.00 51.35 H new ATOM 0 HG LEU A 39 -8.324 -24.512 -4.758 1.00 14.31 H new ATOM 0 HD11 LEU A 39 -8.575 -22.526 -6.194 1.00 62.52 H new ATOM 0 HD12 LEU A 39 -9.653 -22.458 -4.779 1.00 62.52 H new ATOM 0 HD13 LEU A 39 -8.165 -21.481 -4.813 1.00 62.52 H new ATOM 0 HD21 LEU A 39 -6.399 -23.681 -6.052 1.00 1.53 H new ATOM 0 HD22 LEU A 39 -5.904 -22.681 -4.665 1.00 1.53 H new ATOM 0 HD23 LEU A 39 -5.889 -24.456 -4.533 1.00 1.53 H new ATOM 631 N LEU A 40 -8.901 -21.395 -0.799 1.00 64.43 N ATOM 632 CA LEU A 40 -9.937 -20.489 -0.315 1.00 64.54 C ATOM 633 C LEU A 40 -9.380 -19.084 -0.115 1.00 11.54 C ATOM 634 O LEU A 40 -9.989 -18.098 -0.532 1.00 51.33 O ATOM 635 CB LEU A 40 -10.524 -21.010 0.997 1.00 13.05 C ATOM 636 CG LEU A 40 -11.805 -20.326 1.477 1.00 31.32 C ATOM 637 CD1 LEU A 40 -12.854 -20.324 0.376 1.00 62.21 C ATOM 638 CD2 LEU A 40 -12.341 -21.013 2.725 1.00 1.11 C ATOM 0 H LEU A 40 -8.697 -22.174 -0.173 1.00 64.43 H new ATOM 0 HA LEU A 40 -10.726 -20.443 -1.065 1.00 64.54 H new ATOM 0 HB2 LEU A 40 -10.725 -22.075 0.884 1.00 13.05 H new ATOM 0 HB3 LEU A 40 -9.768 -20.909 1.776 1.00 13.05 H new ATOM 0 HG LEU A 40 -11.569 -19.292 1.728 1.00 31.32 H new ATOM 0 HD11 LEU A 40 -13.758 -19.833 0.736 1.00 62.21 H new ATOM 0 HD12 LEU A 40 -12.470 -19.787 -0.491 1.00 62.21 H new ATOM 0 HD13 LEU A 40 -13.086 -21.351 0.093 1.00 62.21 H new ATOM 0 HD21 LEU A 40 -13.253 -20.513 3.052 1.00 1.11 H new ATOM 0 HD22 LEU A 40 -12.560 -22.057 2.500 1.00 1.11 H new ATOM 0 HD23 LEU A 40 -11.594 -20.962 3.518 1.00 1.11 H new ATOM 650 N LEU A 41 -8.219 -18.998 0.525 1.00 31.42 N ATOM 651 CA LEU A 41 -7.578 -17.713 0.780 1.00 52.25 C ATOM 652 C LEU A 41 -7.013 -17.122 -0.508 1.00 54.42 C ATOM 653 O LEU A 41 -7.125 -15.920 -0.751 1.00 63.42 O ATOM 654 CB LEU A 41 -6.462 -17.873 1.813 1.00 10.32 C ATOM 655 CG LEU A 41 -5.379 -18.899 1.478 1.00 1.31 C ATOM 656 CD1 LEU A 41 -4.188 -18.221 0.818 1.00 70.51 C ATOM 657 CD2 LEU A 41 -4.944 -19.644 2.732 1.00 42.43 C ATOM 0 H LEU A 41 -7.702 -19.804 0.877 1.00 31.42 H new ATOM 0 HA LEU A 41 -8.332 -17.030 1.172 1.00 52.25 H new ATOM 0 HB2 LEU A 41 -5.984 -16.904 1.955 1.00 10.32 H new ATOM 0 HB3 LEU A 41 -6.913 -18.149 2.766 1.00 10.32 H new ATOM 0 HG LEU A 41 -5.794 -19.622 0.776 1.00 1.31 H new ATOM 0 HD11 LEU A 41 -3.427 -18.966 0.587 1.00 70.51 H new ATOM 0 HD12 LEU A 41 -4.511 -17.734 -0.102 1.00 70.51 H new ATOM 0 HD13 LEU A 41 -3.772 -17.476 1.496 1.00 70.51 H new ATOM 0 HD21 LEU A 41 -4.173 -20.370 2.475 1.00 42.43 H new ATOM 0 HD22 LEU A 41 -4.547 -18.934 3.457 1.00 42.43 H new ATOM 0 HD23 LEU A 41 -5.801 -20.162 3.163 1.00 42.43 H new ATOM 669 N GLN A 42 -6.410 -17.974 -1.330 1.00 23.33 N ATOM 670 CA GLN A 42 -5.829 -17.536 -2.593 1.00 52.24 C ATOM 671 C GLN A 42 -6.861 -16.796 -3.439 1.00 21.32 C ATOM 672 O GLN A 42 -6.557 -15.772 -4.051 1.00 33.13 O ATOM 673 CB GLN A 42 -5.280 -18.734 -3.370 1.00 34.02 C ATOM 674 CG GLN A 42 -4.767 -18.378 -4.755 1.00 45.54 C ATOM 675 CD GLN A 42 -3.844 -19.436 -5.326 1.00 24.32 C ATOM 676 OE1 GLN A 42 -2.792 -19.124 -5.884 1.00 44.32 O ATOM 677 NE2 GLN A 42 -4.233 -20.698 -5.188 1.00 73.21 N ATOM 0 H GLN A 42 -6.311 -18.972 -1.144 1.00 23.33 H new ATOM 0 HA GLN A 42 -5.011 -16.852 -2.369 1.00 52.24 H new ATOM 0 HB2 GLN A 42 -4.471 -19.188 -2.798 1.00 34.02 H new ATOM 0 HB3 GLN A 42 -6.064 -19.485 -3.464 1.00 34.02 H new ATOM 0 HG2 GLN A 42 -5.614 -18.239 -5.427 1.00 45.54 H new ATOM 0 HG3 GLN A 42 -4.238 -17.426 -4.709 1.00 45.54 H new ATOM 0 HE21 GLN A 42 -5.113 -20.912 -4.718 1.00 73.21 H new ATOM 0 HE22 GLN A 42 -3.652 -21.453 -5.551 1.00 73.21 H new ATOM 686 N ARG A 43 -8.081 -17.322 -3.468 1.00 71.35 N ATOM 687 CA ARG A 43 -9.157 -16.713 -4.240 1.00 53.23 C ATOM 688 C ARG A 43 -10.110 -15.943 -3.331 1.00 34.24 C ATOM 689 O ARG A 43 -11.265 -15.702 -3.684 1.00 33.42 O ATOM 690 CB ARG A 43 -9.928 -17.784 -5.015 1.00 43.50 C ATOM 691 CG ARG A 43 -9.463 -17.948 -6.453 1.00 0.12 C ATOM 692 CD ARG A 43 -7.987 -18.309 -6.523 1.00 54.35 C ATOM 693 NE ARG A 43 -7.486 -18.297 -7.895 1.00 72.22 N ATOM 694 CZ ARG A 43 -7.810 -19.210 -8.804 1.00 34.32 C ATOM 695 NH1 ARG A 43 -8.631 -20.202 -8.488 1.00 34.31 N ATOM 696 NH2 ARG A 43 -7.313 -19.132 -10.032 1.00 14.04 N ATOM 0 H ARG A 43 -8.349 -18.168 -2.966 1.00 71.35 H new ATOM 0 HA ARG A 43 -8.711 -16.013 -4.947 1.00 53.23 H new ATOM 0 HB2 ARG A 43 -9.827 -18.738 -4.498 1.00 43.50 H new ATOM 0 HB3 ARG A 43 -10.988 -17.531 -5.011 1.00 43.50 H new ATOM 0 HG2 ARG A 43 -10.052 -18.724 -6.941 1.00 0.12 H new ATOM 0 HG3 ARG A 43 -9.639 -17.023 -7.001 1.00 0.12 H new ATOM 0 HD2 ARG A 43 -7.413 -17.605 -5.921 1.00 54.35 H new ATOM 0 HD3 ARG A 43 -7.834 -19.298 -6.090 1.00 54.35 H new ATOM 0 HE ARG A 43 -6.853 -17.546 -8.170 1.00 72.22 H new ATOM 0 HH11 ARG A 43 -9.015 -20.265 -7.545 1.00 34.31 H new ATOM 0 HH12 ARG A 43 -8.878 -20.902 -9.188 1.00 34.31 H new ATOM 0 HH21 ARG A 43 -6.681 -18.370 -10.279 1.00 14.04 H new ATOM 0 HH22 ARG A 43 -7.563 -19.834 -10.729 1.00 14.04 H new ATOM 710 N THR A 44 -9.619 -15.560 -2.156 1.00 52.42 N ATOM 711 CA THR A 44 -10.427 -14.819 -1.195 1.00 24.30 C ATOM 712 C THR A 44 -11.099 -13.619 -1.851 1.00 11.21 C ATOM 713 O THR A 44 -10.500 -12.935 -2.680 1.00 25.24 O ATOM 714 CB THR A 44 -9.578 -14.332 -0.006 1.00 2.42 C ATOM 715 OG1 THR A 44 -10.418 -13.710 0.973 1.00 4.03 O ATOM 716 CG2 THR A 44 -8.514 -13.347 -0.468 1.00 13.22 C ATOM 0 H THR A 44 -8.666 -15.751 -1.847 1.00 52.42 H new ATOM 0 HA THR A 44 -11.192 -15.504 -0.829 1.00 24.30 H new ATOM 0 HB THR A 44 -9.083 -15.196 0.437 1.00 2.42 H new ATOM 0 HG1 THR A 44 -9.871 -13.405 1.727 1.00 4.03 H new ATOM 0 HG21 THR A 44 -7.927 -13.017 0.389 1.00 13.22 H new ATOM 0 HG22 THR A 44 -7.859 -13.832 -1.191 1.00 13.22 H new ATOM 0 HG23 THR A 44 -8.993 -12.485 -0.933 1.00 13.22 H new ATOM 724 N GLY A 45 -12.349 -13.367 -1.474 1.00 10.02 N ATOM 725 CA GLY A 45 -13.082 -12.247 -2.035 1.00 71.54 C ATOM 726 C GLY A 45 -14.049 -12.674 -3.122 1.00 32.22 C ATOM 727 O GLY A 45 -15.031 -11.984 -3.393 1.00 34.25 O ATOM 0 H GLY A 45 -12.867 -13.919 -0.790 1.00 10.02 H new ATOM 0 HA2 GLY A 45 -13.632 -11.742 -1.241 1.00 71.54 H new ATOM 0 HA3 GLY A 45 -12.377 -11.523 -2.444 1.00 71.54 H new ATOM 731 N GLU A 46 -13.770 -13.814 -3.746 1.00 41.15 N ATOM 732 CA GLU A 46 -14.622 -14.329 -4.811 1.00 72.44 C ATOM 733 C GLU A 46 -15.002 -15.784 -4.549 1.00 2.14 C ATOM 734 O GLU A 46 -14.233 -16.541 -3.956 1.00 4.41 O ATOM 735 CB GLU A 46 -13.915 -14.212 -6.163 1.00 41.31 C ATOM 736 CG GLU A 46 -12.513 -14.798 -6.170 1.00 32.03 C ATOM 737 CD GLU A 46 -11.935 -14.911 -7.567 1.00 4.22 C ATOM 738 OE1 GLU A 46 -12.606 -15.495 -8.442 1.00 53.14 O ATOM 739 OE2 GLU A 46 -10.809 -14.414 -7.784 1.00 73.30 O ATOM 0 H GLU A 46 -12.961 -14.398 -3.533 1.00 41.15 H new ATOM 0 HA GLU A 46 -15.533 -13.731 -4.832 1.00 72.44 H new ATOM 0 HB2 GLU A 46 -14.514 -14.716 -6.921 1.00 41.31 H new ATOM 0 HB3 GLU A 46 -13.862 -13.161 -6.446 1.00 41.31 H new ATOM 0 HG2 GLU A 46 -11.860 -14.174 -5.560 1.00 32.03 H new ATOM 0 HG3 GLU A 46 -12.534 -15.785 -5.708 1.00 32.03 H new ATOM 746 N VAL A 47 -16.194 -16.168 -4.994 1.00 11.25 N ATOM 747 CA VAL A 47 -16.677 -17.531 -4.808 1.00 22.04 C ATOM 748 C VAL A 47 -16.074 -18.473 -5.843 1.00 74.45 C ATOM 749 O VAL A 47 -16.220 -18.264 -7.049 1.00 32.34 O ATOM 750 CB VAL A 47 -18.213 -17.600 -4.899 1.00 2.21 C ATOM 751 CG1 VAL A 47 -18.712 -18.975 -4.481 1.00 3.42 C ATOM 752 CG2 VAL A 47 -18.846 -16.512 -4.045 1.00 51.53 C ATOM 0 H VAL A 47 -16.843 -15.554 -5.486 1.00 11.25 H new ATOM 0 HA VAL A 47 -16.366 -17.844 -3.811 1.00 22.04 H new ATOM 0 HB VAL A 47 -18.506 -17.434 -5.936 1.00 2.21 H new ATOM 0 HG11 VAL A 47 -19.799 -19.004 -4.552 1.00 3.42 H new ATOM 0 HG12 VAL A 47 -18.285 -19.732 -5.138 1.00 3.42 H new ATOM 0 HG13 VAL A 47 -18.410 -19.175 -3.453 1.00 3.42 H new ATOM 0 HG21 VAL A 47 -19.932 -16.575 -4.121 1.00 51.53 H new ATOM 0 HG22 VAL A 47 -18.547 -16.645 -3.005 1.00 51.53 H new ATOM 0 HG23 VAL A 47 -18.514 -15.535 -4.396 1.00 51.53 H new ATOM 762 N LEU A 48 -15.397 -19.512 -5.367 1.00 32.20 N ATOM 763 CA LEU A 48 -14.772 -20.489 -6.252 1.00 30.01 C ATOM 764 C LEU A 48 -15.494 -21.830 -6.179 1.00 74.42 C ATOM 765 O LEU A 48 -16.198 -22.133 -5.215 1.00 51.03 O ATOM 766 CB LEU A 48 -13.298 -20.670 -5.884 1.00 53.11 C ATOM 767 CG LEU A 48 -12.962 -20.582 -4.395 1.00 35.31 C ATOM 768 CD1 LEU A 48 -11.754 -21.445 -4.069 1.00 24.44 C ATOM 769 CD2 LEU A 48 -12.714 -19.137 -3.989 1.00 25.15 C ATOM 0 H LEU A 48 -15.267 -19.700 -4.373 1.00 32.20 H new ATOM 0 HA LEU A 48 -14.842 -20.115 -7.273 1.00 30.01 H new ATOM 0 HB2 LEU A 48 -12.969 -21.641 -6.253 1.00 53.11 H new ATOM 0 HB3 LEU A 48 -12.717 -19.914 -6.412 1.00 53.11 H new ATOM 0 HG LEU A 48 -13.813 -20.956 -3.827 1.00 35.31 H new ATOM 0 HD11 LEU A 48 -11.530 -21.370 -3.005 1.00 24.44 H new ATOM 0 HD12 LEU A 48 -11.970 -22.483 -4.322 1.00 24.44 H new ATOM 0 HD13 LEU A 48 -10.895 -21.102 -4.646 1.00 24.44 H new ATOM 0 HD21 LEU A 48 -12.476 -19.093 -2.926 1.00 25.15 H new ATOM 0 HD22 LEU A 48 -11.880 -18.736 -4.564 1.00 25.15 H new ATOM 0 HD23 LEU A 48 -13.608 -18.545 -4.185 1.00 25.15 H new ATOM 781 N PRO A 49 -15.316 -22.656 -7.221 1.00 72.02 N ATOM 782 CA PRO A 49 -15.941 -23.980 -7.298 1.00 24.11 C ATOM 783 C PRO A 49 -15.345 -24.961 -6.293 1.00 54.24 C ATOM 784 O PRO A 49 -14.318 -24.683 -5.675 1.00 64.31 O ATOM 785 CB PRO A 49 -15.640 -24.432 -8.729 1.00 44.11 C ATOM 786 CG PRO A 49 -14.408 -23.686 -9.111 1.00 1.33 C ATOM 787 CD PRO A 49 -14.491 -22.361 -8.404 1.00 41.35 C ATOM 0 HA PRO A 49 -17.005 -23.943 -7.063 1.00 24.11 H new ATOM 0 HB2 PRO A 49 -15.482 -25.509 -8.779 1.00 44.11 H new ATOM 0 HB3 PRO A 49 -16.467 -24.200 -9.400 1.00 44.11 H new ATOM 0 HG2 PRO A 49 -13.513 -24.232 -8.813 1.00 1.33 H new ATOM 0 HG3 PRO A 49 -14.353 -23.549 -10.191 1.00 1.33 H new ATOM 0 HD2 PRO A 49 -13.504 -21.993 -8.124 1.00 41.35 H new ATOM 0 HD3 PRO A 49 -14.949 -21.598 -9.033 1.00 41.35 H new ATOM 795 N ARG A 50 -15.997 -26.108 -6.136 1.00 73.21 N ATOM 796 CA ARG A 50 -15.532 -27.130 -5.206 1.00 12.23 C ATOM 797 C ARG A 50 -14.847 -28.272 -5.950 1.00 74.14 C ATOM 798 O ARG A 50 -14.016 -28.983 -5.387 1.00 23.41 O ATOM 799 CB ARG A 50 -16.703 -27.672 -4.384 1.00 22.05 C ATOM 800 CG ARG A 50 -16.316 -28.804 -3.446 1.00 2.23 C ATOM 801 CD ARG A 50 -16.597 -30.163 -4.067 1.00 45.03 C ATOM 802 NE ARG A 50 -18.017 -30.355 -4.346 1.00 13.52 N ATOM 803 CZ ARG A 50 -18.934 -30.532 -3.401 1.00 21.41 C ATOM 804 NH1 ARG A 50 -18.580 -30.543 -2.123 1.00 53.41 N ATOM 805 NH2 ARG A 50 -20.207 -30.700 -3.733 1.00 75.05 N ATOM 0 H ARG A 50 -16.849 -26.353 -6.641 1.00 73.21 H new ATOM 0 HA ARG A 50 -14.807 -26.671 -4.534 1.00 12.23 H new ATOM 0 HB2 ARG A 50 -17.133 -26.858 -3.800 1.00 22.05 H new ATOM 0 HB3 ARG A 50 -17.480 -28.023 -5.062 1.00 22.05 H new ATOM 0 HG2 ARG A 50 -15.257 -28.728 -3.199 1.00 2.23 H new ATOM 0 HG3 ARG A 50 -16.869 -28.709 -2.511 1.00 2.23 H new ATOM 0 HD2 ARG A 50 -16.029 -30.263 -4.992 1.00 45.03 H new ATOM 0 HD3 ARG A 50 -16.251 -30.947 -3.394 1.00 45.03 H new ATOM 0 HE ARG A 50 -18.322 -30.353 -5.319 1.00 13.52 H new ATOM 0 HH11 ARG A 50 -17.602 -30.415 -1.864 1.00 53.41 H new ATOM 0 HH12 ARG A 50 -19.286 -30.679 -1.399 1.00 53.41 H new ATOM 0 HH21 ARG A 50 -20.483 -30.693 -4.715 1.00 75.05 H new ATOM 0 HH22 ARG A 50 -20.910 -30.836 -3.006 1.00 75.05 H new ATOM 819 N SER A 51 -15.204 -28.442 -7.220 1.00 3.14 N ATOM 820 CA SER A 51 -14.627 -29.500 -8.040 1.00 71.34 C ATOM 821 C SER A 51 -13.131 -29.278 -8.242 1.00 12.41 C ATOM 822 O SER A 51 -12.338 -30.218 -8.183 1.00 71.24 O ATOM 823 CB SER A 51 -15.332 -29.564 -9.397 1.00 21.22 C ATOM 824 OG SER A 51 -15.066 -30.792 -10.052 1.00 41.04 O ATOM 0 H SER A 51 -15.890 -27.861 -7.702 1.00 3.14 H new ATOM 0 HA SER A 51 -14.769 -30.447 -7.519 1.00 71.34 H new ATOM 0 HB2 SER A 51 -16.407 -29.448 -9.258 1.00 21.22 H new ATOM 0 HB3 SER A 51 -15.000 -28.735 -10.022 1.00 21.22 H new ATOM 0 HG SER A 51 -15.529 -30.809 -10.916 1.00 41.04 H new ATOM 830 N LEU A 52 -12.753 -28.027 -8.479 1.00 43.45 N ATOM 831 CA LEU A 52 -11.352 -27.678 -8.690 1.00 21.01 C ATOM 832 C LEU A 52 -10.520 -27.997 -7.452 1.00 45.41 C ATOM 833 O LEU A 52 -9.467 -28.628 -7.546 1.00 22.52 O ATOM 834 CB LEU A 52 -11.222 -26.194 -9.038 1.00 21.11 C ATOM 835 CG LEU A 52 -9.796 -25.658 -9.168 1.00 1.55 C ATOM 836 CD1 LEU A 52 -9.014 -26.463 -10.193 1.00 42.14 C ATOM 837 CD2 LEU A 52 -9.813 -24.183 -9.545 1.00 30.35 C ATOM 0 H LEU A 52 -13.397 -27.237 -8.530 1.00 43.45 H new ATOM 0 HA LEU A 52 -10.976 -28.274 -9.522 1.00 21.01 H new ATOM 0 HB2 LEU A 52 -11.743 -26.015 -9.978 1.00 21.11 H new ATOM 0 HB3 LEU A 52 -11.738 -25.615 -8.272 1.00 21.11 H new ATOM 0 HG LEU A 52 -9.301 -25.760 -8.202 1.00 1.55 H new ATOM 0 HD11 LEU A 52 -8.002 -26.067 -10.272 1.00 42.14 H new ATOM 0 HD12 LEU A 52 -8.972 -27.507 -9.881 1.00 42.14 H new ATOM 0 HD13 LEU A 52 -9.507 -26.394 -11.163 1.00 42.14 H new ATOM 0 HD21 LEU A 52 -8.790 -23.818 -9.633 1.00 30.35 H new ATOM 0 HD22 LEU A 52 -10.327 -24.057 -10.498 1.00 30.35 H new ATOM 0 HD23 LEU A 52 -10.335 -23.616 -8.774 1.00 30.35 H new ATOM 849 N ILE A 53 -10.999 -27.557 -6.294 1.00 34.04 N ATOM 850 CA ILE A 53 -10.301 -27.798 -5.037 1.00 72.51 C ATOM 851 C ILE A 53 -10.059 -29.288 -4.820 1.00 73.41 C ATOM 852 O ILE A 53 -8.964 -29.701 -4.440 1.00 3.01 O ATOM 853 CB ILE A 53 -11.089 -27.238 -3.838 1.00 50.25 C ATOM 854 CG1 ILE A 53 -11.357 -25.744 -4.030 1.00 51.44 C ATOM 855 CG2 ILE A 53 -10.329 -27.483 -2.544 1.00 21.04 C ATOM 856 CD1 ILE A 53 -12.431 -25.200 -3.114 1.00 4.30 C ATOM 0 H ILE A 53 -11.868 -27.031 -6.200 1.00 34.04 H new ATOM 0 HA ILE A 53 -9.343 -27.282 -5.104 1.00 72.51 H new ATOM 0 HB ILE A 53 -12.047 -27.755 -3.777 1.00 50.25 H new ATOM 0 HG12 ILE A 53 -10.432 -25.193 -3.860 1.00 51.44 H new ATOM 0 HG13 ILE A 53 -11.649 -25.566 -5.065 1.00 51.44 H new ATOM 0 HG21 ILE A 53 -10.899 -27.082 -1.706 1.00 21.04 H new ATOM 0 HG22 ILE A 53 -10.184 -28.554 -2.404 1.00 21.04 H new ATOM 0 HG23 ILE A 53 -9.359 -26.989 -2.593 1.00 21.04 H new ATOM 0 HD11 ILE A 53 -12.568 -24.136 -3.305 1.00 4.30 H new ATOM 0 HD12 ILE A 53 -13.368 -25.725 -3.300 1.00 4.30 H new ATOM 0 HD13 ILE A 53 -12.132 -25.346 -2.076 1.00 4.30 H new ATOM 868 N SER A 54 -11.090 -30.092 -5.066 1.00 45.51 N ATOM 869 CA SER A 54 -10.990 -31.536 -4.896 1.00 30.32 C ATOM 870 C SER A 54 -9.871 -32.109 -5.760 1.00 72.53 C ATOM 871 O SER A 54 -9.246 -33.108 -5.404 1.00 72.30 O ATOM 872 CB SER A 54 -12.319 -32.206 -5.252 1.00 1.34 C ATOM 873 OG SER A 54 -12.308 -33.579 -4.903 1.00 24.14 O ATOM 0 H SER A 54 -12.003 -29.767 -5.383 1.00 45.51 H new ATOM 0 HA SER A 54 -10.758 -31.739 -3.850 1.00 30.32 H new ATOM 0 HB2 SER A 54 -13.134 -31.702 -4.733 1.00 1.34 H new ATOM 0 HB3 SER A 54 -12.508 -32.101 -6.320 1.00 1.34 H new ATOM 0 HG SER A 54 -11.970 -34.106 -5.657 1.00 24.14 H new ATOM 879 N SER A 55 -9.625 -31.469 -6.899 1.00 23.42 N ATOM 880 CA SER A 55 -8.584 -31.917 -7.817 1.00 52.44 C ATOM 881 C SER A 55 -7.198 -31.629 -7.249 1.00 62.32 C ATOM 882 O SER A 55 -6.235 -32.341 -7.540 1.00 11.25 O ATOM 883 CB SER A 55 -8.744 -31.230 -9.175 1.00 63.23 C ATOM 884 OG SER A 55 -7.486 -30.843 -9.702 1.00 13.44 O ATOM 0 H SER A 55 -10.132 -30.639 -7.208 1.00 23.42 H new ATOM 0 HA SER A 55 -8.687 -32.994 -7.947 1.00 52.44 H new ATOM 0 HB2 SER A 55 -9.241 -31.905 -9.871 1.00 63.23 H new ATOM 0 HB3 SER A 55 -9.383 -30.353 -9.070 1.00 63.23 H new ATOM 0 HG SER A 55 -7.615 -30.408 -10.571 1.00 13.44 H new ATOM 890 N LEU A 56 -7.104 -30.582 -6.438 1.00 5.41 N ATOM 891 CA LEU A 56 -5.835 -30.198 -5.827 1.00 72.35 C ATOM 892 C LEU A 56 -5.402 -31.222 -4.783 1.00 15.35 C ATOM 893 O LEU A 56 -4.263 -31.205 -4.316 1.00 52.22 O ATOM 894 CB LEU A 56 -5.953 -28.815 -5.185 1.00 33.10 C ATOM 895 CG LEU A 56 -5.442 -27.641 -6.021 1.00 14.02 C ATOM 896 CD1 LEU A 56 -6.600 -26.766 -6.476 1.00 72.32 C ATOM 897 CD2 LEU A 56 -4.432 -26.823 -5.230 1.00 14.34 C ATOM 0 H LEU A 56 -7.891 -29.983 -6.188 1.00 5.41 H new ATOM 0 HA LEU A 56 -5.078 -30.164 -6.611 1.00 72.35 H new ATOM 0 HB2 LEU A 56 -7.001 -28.636 -4.946 1.00 33.10 H new ATOM 0 HB3 LEU A 56 -5.408 -28.827 -4.241 1.00 33.10 H new ATOM 0 HG LEU A 56 -4.945 -28.039 -6.906 1.00 14.02 H new ATOM 0 HD11 LEU A 56 -6.217 -25.936 -7.070 1.00 72.32 H new ATOM 0 HD12 LEU A 56 -7.287 -27.358 -7.080 1.00 72.32 H new ATOM 0 HD13 LEU A 56 -7.126 -26.377 -5.604 1.00 72.32 H new ATOM 0 HD21 LEU A 56 -4.079 -25.992 -5.840 1.00 14.34 H new ATOM 0 HD22 LEU A 56 -4.905 -26.435 -4.328 1.00 14.34 H new ATOM 0 HD23 LEU A 56 -3.588 -27.455 -4.955 1.00 14.34 H new ATOM 909 N VAL A 57 -6.319 -32.114 -4.420 1.00 50.32 N ATOM 910 CA VAL A 57 -6.032 -33.147 -3.433 1.00 25.31 C ATOM 911 C VAL A 57 -6.313 -34.537 -3.994 1.00 45.30 C ATOM 912 O VAL A 57 -5.391 -35.273 -4.347 1.00 1.50 O ATOM 913 CB VAL A 57 -6.862 -32.946 -2.151 1.00 43.33 C ATOM 914 CG1 VAL A 57 -6.008 -32.329 -1.053 1.00 73.15 C ATOM 915 CG2 VAL A 57 -8.082 -32.083 -2.437 1.00 63.34 C ATOM 0 H VAL A 57 -7.267 -32.141 -4.795 1.00 50.32 H new ATOM 0 HA VAL A 57 -4.973 -33.064 -3.188 1.00 25.31 H new ATOM 0 HB VAL A 57 -7.207 -33.920 -1.805 1.00 43.33 H new ATOM 0 HG11 VAL A 57 -6.611 -32.194 -0.155 1.00 73.15 H new ATOM 0 HG12 VAL A 57 -5.169 -32.988 -0.831 1.00 73.15 H new ATOM 0 HG13 VAL A 57 -5.631 -31.362 -1.385 1.00 73.15 H new ATOM 0 HG21 VAL A 57 -8.657 -31.951 -1.521 1.00 63.34 H new ATOM 0 HG22 VAL A 57 -7.760 -31.109 -2.807 1.00 63.34 H new ATOM 0 HG23 VAL A 57 -8.704 -32.569 -3.189 1.00 63.34 H new ATOM 925 N TRP A 58 -7.591 -34.889 -4.074 1.00 5.21 N ATOM 926 CA TRP A 58 -7.993 -36.191 -4.593 1.00 54.11 C ATOM 927 C TRP A 58 -8.110 -36.158 -6.113 1.00 21.40 C ATOM 928 O TRP A 58 -7.248 -36.676 -6.822 1.00 3.23 O ATOM 929 CB TRP A 58 -9.326 -36.619 -3.976 1.00 41.11 C ATOM 930 CG TRP A 58 -9.784 -37.972 -4.431 1.00 1.51 C ATOM 931 CD1 TRP A 58 -11.008 -38.292 -4.945 1.00 63.33 C ATOM 932 CD2 TRP A 58 -9.024 -39.185 -4.410 1.00 75.13 C ATOM 933 NE1 TRP A 58 -11.055 -39.632 -5.246 1.00 22.34 N ATOM 934 CE2 TRP A 58 -9.850 -40.202 -4.928 1.00 35.24 C ATOM 935 CE3 TRP A 58 -7.727 -39.511 -4.007 1.00 62.24 C ATOM 936 CZ2 TRP A 58 -9.419 -41.520 -5.050 1.00 35.40 C ATOM 937 CZ3 TRP A 58 -7.301 -40.820 -4.129 1.00 63.12 C ATOM 938 CH2 TRP A 58 -8.144 -41.812 -4.648 1.00 13.54 C ATOM 0 H TRP A 58 -8.366 -34.292 -3.786 1.00 5.21 H new ATOM 0 HA TRP A 58 -7.225 -36.916 -4.322 1.00 54.11 H new ATOM 0 HB2 TRP A 58 -9.231 -36.622 -2.890 1.00 41.11 H new ATOM 0 HB3 TRP A 58 -10.088 -35.882 -4.228 1.00 41.11 H new ATOM 0 HD1 TRP A 58 -11.819 -37.595 -5.093 1.00 63.33 H new ATOM 0 HE1 TRP A 58 -11.857 -40.123 -5.642 1.00 22.34 H new ATOM 0 HE3 TRP A 58 -7.069 -38.754 -3.607 1.00 62.24 H new ATOM 0 HZ2 TRP A 58 -10.068 -42.286 -5.448 1.00 35.40 H new ATOM 0 HZ3 TRP A 58 -6.301 -41.083 -3.819 1.00 63.12 H new ATOM 0 HH2 TRP A 58 -7.781 -42.826 -4.732 1.00 13.54 H new ATOM 949 N ASN A 59 -9.182 -35.547 -6.607 1.00 63.12 N ATOM 950 CA ASN A 59 -9.410 -35.448 -8.044 1.00 54.01 C ATOM 951 C ASN A 59 -10.651 -34.611 -8.341 1.00 44.40 C ATOM 952 O ASN A 59 -11.253 -34.033 -7.437 1.00 4.54 O ATOM 953 CB ASN A 59 -9.565 -36.843 -8.654 1.00 43.54 C ATOM 954 CG ASN A 59 -10.679 -37.639 -8.002 1.00 45.14 C ATOM 955 OD1 ASN A 59 -11.646 -37.073 -7.494 1.00 52.50 O ATOM 956 ND2 ASN A 59 -10.546 -38.960 -8.014 1.00 70.23 N ATOM 0 H ASN A 59 -9.906 -35.113 -6.034 1.00 63.12 H new ATOM 0 HA ASN A 59 -8.546 -34.957 -8.491 1.00 54.01 H new ATOM 0 HB2 ASN A 59 -9.766 -36.750 -9.721 1.00 43.54 H new ATOM 0 HB3 ASN A 59 -8.626 -37.387 -8.553 1.00 43.54 H new ATOM 0 HD21 ASN A 59 -11.263 -39.549 -7.590 1.00 70.23 H new ATOM 0 HD22 ASN A 59 -9.727 -39.386 -8.447 1.00 70.23 H new ATOM 963 N MET A 60 -11.027 -34.551 -9.614 1.00 43.03 N ATOM 964 CA MET A 60 -12.196 -33.786 -10.030 1.00 55.12 C ATOM 965 C MET A 60 -13.263 -34.702 -10.622 1.00 50.10 C ATOM 966 O MET A 60 -13.396 -34.809 -11.840 1.00 64.13 O ATOM 967 CB MET A 60 -11.798 -32.720 -11.053 1.00 71.21 C ATOM 968 CG MET A 60 -10.921 -33.252 -12.175 1.00 31.32 C ATOM 969 SD MET A 60 -11.012 -32.242 -13.666 1.00 24.52 S ATOM 970 CE MET A 60 -10.101 -33.264 -14.822 1.00 53.51 C ATOM 0 H MET A 60 -10.539 -35.023 -10.375 1.00 43.03 H new ATOM 0 HA MET A 60 -12.611 -33.296 -9.149 1.00 55.12 H new ATOM 0 HB2 MET A 60 -12.701 -32.286 -11.483 1.00 71.21 H new ATOM 0 HB3 MET A 60 -11.270 -31.916 -10.541 1.00 71.21 H new ATOM 0 HG2 MET A 60 -9.887 -33.296 -11.833 1.00 31.32 H new ATOM 0 HG3 MET A 60 -11.221 -34.272 -12.413 1.00 31.32 H new ATOM 0 HE1 MET A 60 -10.069 -32.773 -15.795 1.00 53.51 H new ATOM 0 HE2 MET A 60 -9.085 -33.410 -14.456 1.00 53.51 H new ATOM 0 HE3 MET A 60 -10.594 -34.231 -14.920 1.00 53.51 H new ATOM 980 N ASN A 61 -14.021 -35.361 -9.751 1.00 44.30 N ATOM 981 CA ASN A 61 -15.075 -36.268 -10.188 1.00 61.43 C ATOM 982 C ASN A 61 -16.019 -35.575 -11.165 1.00 54.34 C ATOM 983 O ASN A 61 -16.037 -34.348 -11.263 1.00 14.52 O ATOM 984 CB ASN A 61 -15.861 -36.788 -8.983 1.00 75.13 C ATOM 985 CG ASN A 61 -15.332 -38.115 -8.476 1.00 24.33 C ATOM 986 OD1 ASN A 61 -16.096 -39.049 -8.232 1.00 22.12 O ATOM 987 ND2 ASN A 61 -14.016 -38.204 -8.314 1.00 75.31 N ATOM 0 H ASN A 61 -13.924 -35.283 -8.739 1.00 44.30 H new ATOM 0 HA ASN A 61 -14.607 -37.110 -10.699 1.00 61.43 H new ATOM 0 HB2 ASN A 61 -15.818 -36.052 -8.180 1.00 75.13 H new ATOM 0 HB3 ASN A 61 -16.910 -36.899 -9.258 1.00 75.13 H new ATOM 0 HD21 ASN A 61 -13.601 -39.072 -7.975 1.00 75.31 H new ATOM 0 HD22 ASN A 61 -13.420 -37.404 -8.529 1.00 75.31 H new ATOM 994 N PHE A 62 -16.803 -36.369 -11.887 1.00 14.12 N ATOM 995 CA PHE A 62 -17.751 -35.832 -12.857 1.00 4.12 C ATOM 996 C PHE A 62 -18.706 -34.844 -12.194 1.00 74.12 C ATOM 997 O PHE A 62 -19.220 -33.932 -12.842 1.00 14.24 O ATOM 998 CB PHE A 62 -18.543 -36.966 -13.509 1.00 73.43 C ATOM 999 CG PHE A 62 -19.108 -36.607 -14.854 1.00 21.11 C ATOM 1000 CD1 PHE A 62 -20.311 -35.927 -14.956 1.00 2.25 C ATOM 1001 CD2 PHE A 62 -18.436 -36.949 -16.016 1.00 43.01 C ATOM 1002 CE1 PHE A 62 -20.833 -35.596 -16.192 1.00 2.34 C ATOM 1003 CE2 PHE A 62 -18.953 -36.620 -17.255 1.00 63.12 C ATOM 1004 CZ PHE A 62 -20.152 -35.942 -17.343 1.00 14.42 C ATOM 0 H PHE A 62 -16.801 -37.387 -11.819 1.00 14.12 H new ATOM 0 HA PHE A 62 -17.187 -35.304 -13.626 1.00 4.12 H new ATOM 0 HB2 PHE A 62 -17.895 -37.836 -13.617 1.00 73.43 H new ATOM 0 HB3 PHE A 62 -19.359 -37.256 -12.847 1.00 73.43 H new ATOM 0 HD1 PHE A 62 -20.847 -35.653 -14.059 1.00 2.25 H new ATOM 0 HD2 PHE A 62 -17.497 -37.479 -15.953 1.00 43.01 H new ATOM 0 HE1 PHE A 62 -21.772 -35.067 -16.258 1.00 2.34 H new ATOM 0 HE2 PHE A 62 -18.419 -36.893 -18.153 1.00 63.12 H new ATOM 0 HZ PHE A 62 -20.557 -35.682 -18.310 1.00 14.42 H new ATOM 1014 N ASP A 63 -18.940 -35.034 -10.900 1.00 41.43 N ATOM 1015 CA ASP A 63 -19.833 -34.160 -10.149 1.00 13.24 C ATOM 1016 C ASP A 63 -19.194 -33.734 -8.830 1.00 55.24 C ATOM 1017 O ASP A 63 -18.751 -32.595 -8.684 1.00 24.13 O ATOM 1018 CB ASP A 63 -21.164 -34.864 -9.880 1.00 71.45 C ATOM 1019 CG ASP A 63 -22.056 -34.903 -11.106 1.00 23.40 C ATOM 1020 OD1 ASP A 63 -22.048 -33.921 -11.876 1.00 40.32 O ATOM 1021 OD2 ASP A 63 -22.762 -35.916 -11.294 1.00 70.23 O ATOM 0 H ASP A 63 -18.524 -35.785 -10.350 1.00 41.43 H new ATOM 0 HA ASP A 63 -20.017 -33.268 -10.748 1.00 13.24 H new ATOM 0 HB2 ASP A 63 -20.971 -35.882 -9.542 1.00 71.45 H new ATOM 0 HB3 ASP A 63 -21.685 -34.353 -9.071 1.00 71.45 H new ATOM 1026 N SER A 64 -19.153 -34.656 -7.874 1.00 3.43 N ATOM 1027 CA SER A 64 -18.573 -34.374 -6.566 1.00 22.13 C ATOM 1028 C SER A 64 -18.062 -35.654 -5.911 1.00 45.13 C ATOM 1029 O SER A 64 -18.284 -36.754 -6.417 1.00 22.33 O ATOM 1030 CB SER A 64 -19.607 -33.702 -5.660 1.00 24.41 C ATOM 1031 OG SER A 64 -20.482 -32.877 -6.409 1.00 61.52 O ATOM 0 H SER A 64 -19.514 -35.604 -7.980 1.00 3.43 H new ATOM 0 HA SER A 64 -17.730 -33.697 -6.708 1.00 22.13 H new ATOM 0 HB2 SER A 64 -20.182 -34.463 -5.133 1.00 24.41 H new ATOM 0 HB3 SER A 64 -19.098 -33.105 -4.903 1.00 24.41 H new ATOM 0 HG SER A 64 -21.134 -32.460 -5.807 1.00 61.52 H new ATOM 1037 N ASP A 65 -17.376 -35.501 -4.784 1.00 4.00 N ATOM 1038 CA ASP A 65 -16.833 -36.644 -4.058 1.00 42.52 C ATOM 1039 C ASP A 65 -17.336 -36.662 -2.618 1.00 51.53 C ATOM 1040 O ASP A 65 -16.665 -36.174 -1.708 1.00 13.31 O ATOM 1041 CB ASP A 65 -15.304 -36.607 -4.077 1.00 1.02 C ATOM 1042 CG ASP A 65 -14.689 -37.977 -3.864 1.00 55.44 C ATOM 1043 OD1 ASP A 65 -14.848 -38.841 -4.751 1.00 65.31 O ATOM 1044 OD2 ASP A 65 -14.051 -38.184 -2.811 1.00 32.01 O ATOM 0 H ASP A 65 -17.182 -34.597 -4.353 1.00 4.00 H new ATOM 0 HA ASP A 65 -17.173 -37.553 -4.554 1.00 42.52 H new ATOM 0 HB2 ASP A 65 -14.965 -36.204 -5.031 1.00 1.02 H new ATOM 0 HB3 ASP A 65 -14.950 -35.928 -3.301 1.00 1.02 H new ATOM 1049 N THR A 66 -18.523 -37.227 -2.418 1.00 42.44 N ATOM 1050 CA THR A 66 -19.117 -37.306 -1.090 1.00 74.32 C ATOM 1051 C THR A 66 -18.917 -36.007 -0.319 1.00 42.31 C ATOM 1052 O THR A 66 -18.732 -36.018 0.897 1.00 64.00 O ATOM 1053 CB THR A 66 -18.521 -38.470 -0.276 1.00 62.15 C ATOM 1054 OG1 THR A 66 -19.223 -38.612 0.963 1.00 11.23 O ATOM 1055 CG2 THR A 66 -17.042 -38.238 -0.004 1.00 13.20 C ATOM 0 H THR A 66 -19.091 -37.636 -3.159 1.00 42.44 H new ATOM 0 HA THR A 66 -20.184 -37.480 -1.232 1.00 74.32 H new ATOM 0 HB THR A 66 -18.628 -39.384 -0.859 1.00 62.15 H new ATOM 0 HG1 THR A 66 -19.276 -37.742 1.410 1.00 11.23 H new ATOM 0 HG21 THR A 66 -16.643 -39.073 0.572 1.00 13.20 H new ATOM 0 HG22 THR A 66 -16.506 -38.161 -0.950 1.00 13.20 H new ATOM 0 HG23 THR A 66 -16.916 -37.314 0.561 1.00 13.20 H new ATOM 1063 N ASN A 67 -18.956 -34.887 -1.035 1.00 23.43 N ATOM 1064 CA ASN A 67 -18.778 -33.578 -0.417 1.00 31.55 C ATOM 1065 C ASN A 67 -17.607 -33.593 0.561 1.00 33.15 C ATOM 1066 O ASN A 67 -17.681 -33.011 1.644 1.00 71.31 O ATOM 1067 CB ASN A 67 -20.058 -33.156 0.308 1.00 5.05 C ATOM 1068 CG ASN A 67 -21.280 -33.227 -0.587 1.00 4.23 C ATOM 1069 OD1 ASN A 67 -21.737 -34.312 -0.947 1.00 2.40 O ATOM 1070 ND2 ASN A 67 -21.814 -32.067 -0.950 1.00 75.03 N ATOM 0 H ASN A 67 -19.109 -34.860 -2.043 1.00 23.43 H new ATOM 0 HA ASN A 67 -18.560 -32.857 -1.205 1.00 31.55 H new ATOM 0 HB2 ASN A 67 -20.209 -33.798 1.176 1.00 5.05 H new ATOM 0 HB3 ASN A 67 -19.943 -32.138 0.680 1.00 5.05 H new ATOM 0 HD21 ASN A 67 -22.637 -32.051 -1.552 1.00 75.03 H new ATOM 0 HD22 ASN A 67 -21.401 -31.192 -0.627 1.00 75.03 H new ATOM 1077 N VAL A 68 -16.526 -34.262 0.172 1.00 14.12 N ATOM 1078 CA VAL A 68 -15.339 -34.351 1.013 1.00 23.31 C ATOM 1079 C VAL A 68 -14.719 -32.976 1.237 1.00 61.53 C ATOM 1080 O VAL A 68 -14.051 -32.742 2.244 1.00 65.30 O ATOM 1081 CB VAL A 68 -14.281 -35.284 0.394 1.00 73.35 C ATOM 1082 CG1 VAL A 68 -13.775 -34.718 -0.924 1.00 53.42 C ATOM 1083 CG2 VAL A 68 -13.132 -35.505 1.365 1.00 64.31 C ATOM 0 H VAL A 68 -16.448 -34.750 -0.720 1.00 14.12 H new ATOM 0 HA VAL A 68 -15.660 -34.762 1.970 1.00 23.31 H new ATOM 0 HB VAL A 68 -14.746 -36.249 0.192 1.00 73.35 H new ATOM 0 HG11 VAL A 68 -13.028 -35.391 -1.346 1.00 53.42 H new ATOM 0 HG12 VAL A 68 -14.608 -34.617 -1.620 1.00 53.42 H new ATOM 0 HG13 VAL A 68 -13.326 -33.740 -0.751 1.00 53.42 H new ATOM 0 HG21 VAL A 68 -12.394 -36.166 0.911 1.00 64.31 H new ATOM 0 HG22 VAL A 68 -12.666 -34.548 1.601 1.00 64.31 H new ATOM 0 HG23 VAL A 68 -13.511 -35.959 2.281 1.00 64.31 H new ATOM 1093 N ILE A 69 -14.946 -32.071 0.291 1.00 4.44 N ATOM 1094 CA ILE A 69 -14.411 -30.718 0.386 1.00 24.12 C ATOM 1095 C ILE A 69 -15.125 -29.919 1.471 1.00 23.33 C ATOM 1096 O ILE A 69 -14.495 -29.413 2.400 1.00 22.42 O ATOM 1097 CB ILE A 69 -14.535 -29.968 -0.953 1.00 71.33 C ATOM 1098 CG1 ILE A 69 -13.845 -30.755 -2.069 1.00 63.22 C ATOM 1099 CG2 ILE A 69 -13.941 -28.573 -0.836 1.00 41.42 C ATOM 1100 CD1 ILE A 69 -12.370 -30.985 -1.823 1.00 71.41 C ATOM 0 H ILE A 69 -15.496 -32.250 -0.549 1.00 4.44 H new ATOM 0 HA ILE A 69 -13.356 -30.814 0.643 1.00 24.12 H new ATOM 0 HB ILE A 69 -15.592 -29.872 -1.202 1.00 71.33 H new ATOM 0 HG12 ILE A 69 -14.341 -31.719 -2.183 1.00 63.22 H new ATOM 0 HG13 ILE A 69 -13.969 -30.220 -3.010 1.00 63.22 H new ATOM 0 HG21 ILE A 69 -14.036 -28.056 -1.791 1.00 41.42 H new ATOM 0 HG22 ILE A 69 -14.473 -28.014 -0.066 1.00 41.42 H new ATOM 0 HG23 ILE A 69 -12.887 -28.648 -0.567 1.00 41.42 H new ATOM 0 HD11 ILE A 69 -11.946 -31.549 -2.654 1.00 71.41 H new ATOM 0 HD12 ILE A 69 -11.861 -30.025 -1.739 1.00 71.41 H new ATOM 0 HD13 ILE A 69 -12.239 -31.547 -0.899 1.00 71.41 H new ATOM 1112 N ASP A 70 -16.443 -29.812 1.348 1.00 40.41 N ATOM 1113 CA ASP A 70 -17.244 -29.077 2.320 1.00 54.22 C ATOM 1114 C ASP A 70 -17.053 -29.645 3.723 1.00 74.35 C ATOM 1115 O ASP A 70 -17.115 -28.917 4.713 1.00 51.42 O ATOM 1116 CB ASP A 70 -18.723 -29.125 1.934 1.00 55.34 C ATOM 1117 CG ASP A 70 -19.626 -28.596 3.031 1.00 21.23 C ATOM 1118 OD1 ASP A 70 -19.252 -27.594 3.677 1.00 64.44 O ATOM 1119 OD2 ASP A 70 -20.707 -29.184 3.244 1.00 2.24 O ATOM 0 H ASP A 70 -16.980 -30.225 0.585 1.00 40.41 H new ATOM 0 HA ASP A 70 -16.910 -28.040 2.319 1.00 54.22 H new ATOM 0 HB2 ASP A 70 -18.878 -28.541 1.027 1.00 55.34 H new ATOM 0 HB3 ASP A 70 -19.002 -30.153 1.702 1.00 55.34 H new ATOM 1124 N VAL A 71 -16.822 -30.952 3.800 1.00 72.15 N ATOM 1125 CA VAL A 71 -16.622 -31.619 5.081 1.00 52.14 C ATOM 1126 C VAL A 71 -15.231 -31.336 5.636 1.00 21.11 C ATOM 1127 O VAL A 71 -15.038 -31.269 6.850 1.00 62.44 O ATOM 1128 CB VAL A 71 -16.814 -33.142 4.956 1.00 24.14 C ATOM 1129 CG1 VAL A 71 -16.541 -33.825 6.288 1.00 63.11 C ATOM 1130 CG2 VAL A 71 -18.215 -33.464 4.460 1.00 12.12 C ATOM 0 H VAL A 71 -16.769 -31.570 2.990 1.00 72.15 H new ATOM 0 HA VAL A 71 -17.371 -31.221 5.766 1.00 52.14 H new ATOM 0 HB VAL A 71 -16.099 -33.522 4.226 1.00 24.14 H new ATOM 0 HG11 VAL A 71 -16.681 -34.901 6.181 1.00 63.11 H new ATOM 0 HG12 VAL A 71 -15.516 -33.622 6.598 1.00 63.11 H new ATOM 0 HG13 VAL A 71 -17.230 -33.442 7.041 1.00 63.11 H new ATOM 0 HG21 VAL A 71 -18.332 -34.545 4.378 1.00 12.12 H new ATOM 0 HG22 VAL A 71 -18.949 -33.072 5.164 1.00 12.12 H new ATOM 0 HG23 VAL A 71 -18.369 -33.007 3.483 1.00 12.12 H new ATOM 1140 N ALA A 72 -14.264 -31.170 4.739 1.00 33.23 N ATOM 1141 CA ALA A 72 -12.891 -30.892 5.139 1.00 4.25 C ATOM 1142 C ALA A 72 -12.772 -29.508 5.769 1.00 62.00 C ATOM 1143 O ALA A 72 -12.037 -29.317 6.738 1.00 12.32 O ATOM 1144 CB ALA A 72 -11.958 -31.011 3.943 1.00 21.53 C ATOM 0 H ALA A 72 -14.407 -31.223 3.730 1.00 33.23 H new ATOM 0 HA ALA A 72 -12.601 -31.630 5.887 1.00 4.25 H new ATOM 0 HB1 ALA A 72 -10.936 -30.801 4.257 1.00 21.53 H new ATOM 0 HB2 ALA A 72 -12.013 -32.022 3.538 1.00 21.53 H new ATOM 0 HB3 ALA A 72 -12.256 -30.296 3.176 1.00 21.53 H new ATOM 1150 N VAL A 73 -13.499 -28.545 5.211 1.00 2.14 N ATOM 1151 CA VAL A 73 -13.475 -27.178 5.719 1.00 71.24 C ATOM 1152 C VAL A 73 -14.308 -27.049 6.989 1.00 1.00 C ATOM 1153 O VAL A 73 -13.959 -26.296 7.898 1.00 22.24 O ATOM 1154 CB VAL A 73 -14.001 -26.181 4.669 1.00 12.24 C ATOM 1155 CG1 VAL A 73 -15.430 -26.523 4.277 1.00 73.04 C ATOM 1156 CG2 VAL A 73 -13.911 -24.757 5.196 1.00 2.33 C ATOM 0 H VAL A 73 -14.111 -28.686 4.408 1.00 2.14 H new ATOM 0 HA VAL A 73 -12.435 -26.942 5.945 1.00 71.24 H new ATOM 0 HB VAL A 73 -13.377 -26.255 3.778 1.00 12.24 H new ATOM 0 HG11 VAL A 73 -15.785 -25.808 3.535 1.00 73.04 H new ATOM 0 HG12 VAL A 73 -15.461 -27.528 3.857 1.00 73.04 H new ATOM 0 HG13 VAL A 73 -16.070 -26.478 5.158 1.00 73.04 H new ATOM 0 HG21 VAL A 73 -14.287 -24.065 4.442 1.00 2.33 H new ATOM 0 HG22 VAL A 73 -14.510 -24.666 6.102 1.00 2.33 H new ATOM 0 HG23 VAL A 73 -12.872 -24.518 5.422 1.00 2.33 H new ATOM 1166 N ARG A 74 -15.411 -27.789 7.045 1.00 43.32 N ATOM 1167 CA ARG A 74 -16.294 -27.756 8.204 1.00 74.51 C ATOM 1168 C ARG A 74 -15.685 -28.524 9.374 1.00 51.24 C ATOM 1169 O ARG A 74 -15.791 -28.105 10.526 1.00 11.24 O ATOM 1170 CB ARG A 74 -17.659 -28.348 7.848 1.00 75.02 C ATOM 1171 CG ARG A 74 -18.471 -27.480 6.901 1.00 52.44 C ATOM 1172 CD ARG A 74 -19.153 -26.338 7.638 1.00 52.11 C ATOM 1173 NE ARG A 74 -20.355 -26.780 8.340 1.00 72.13 N ATOM 1174 CZ ARG A 74 -21.248 -25.948 8.865 1.00 63.12 C ATOM 1175 NH1 ARG A 74 -21.074 -24.637 8.767 1.00 35.24 N ATOM 1176 NH2 ARG A 74 -22.316 -26.427 9.489 1.00 75.05 N ATOM 0 H ARG A 74 -15.714 -28.418 6.301 1.00 43.32 H new ATOM 0 HA ARG A 74 -16.422 -26.715 8.502 1.00 74.51 H new ATOM 0 HB2 ARG A 74 -17.513 -29.328 7.394 1.00 75.02 H new ATOM 0 HB3 ARG A 74 -18.229 -28.503 8.764 1.00 75.02 H new ATOM 0 HG2 ARG A 74 -17.819 -27.076 6.126 1.00 52.44 H new ATOM 0 HG3 ARG A 74 -19.222 -28.091 6.400 1.00 52.44 H new ATOM 0 HD2 ARG A 74 -18.456 -25.900 8.353 1.00 52.11 H new ATOM 0 HD3 ARG A 74 -19.416 -25.554 6.928 1.00 52.11 H new ATOM 0 HE ARG A 74 -20.518 -27.783 8.432 1.00 72.13 H new ATOM 0 HH11 ARG A 74 -20.254 -24.266 8.288 1.00 35.24 H new ATOM 0 HH12 ARG A 74 -21.761 -24.000 9.171 1.00 35.24 H new ATOM 0 HH21 ARG A 74 -22.452 -27.435 9.566 1.00 75.05 H new ATOM 0 HH22 ARG A 74 -23.001 -25.787 9.892 1.00 75.05 H new ATOM 1190 N ARG A 75 -15.048 -29.649 9.068 1.00 23.44 N ATOM 1191 CA ARG A 75 -14.423 -30.476 10.094 1.00 11.02 C ATOM 1192 C ARG A 75 -13.211 -29.772 10.696 1.00 1.44 C ATOM 1193 O ARG A 75 -12.990 -29.819 11.907 1.00 10.23 O ATOM 1194 CB ARG A 75 -14.003 -31.825 9.507 1.00 51.43 C ATOM 1195 CG ARG A 75 -12.782 -31.743 8.606 1.00 44.51 C ATOM 1196 CD ARG A 75 -12.444 -33.096 8.001 1.00 63.12 C ATOM 1197 NE ARG A 75 -12.058 -34.070 9.019 1.00 53.13 N ATOM 1198 CZ ARG A 75 -12.048 -35.382 8.814 1.00 64.34 C ATOM 1199 NH1 ARG A 75 -12.399 -35.875 7.634 1.00 61.11 N ATOM 1200 NH2 ARG A 75 -11.684 -36.205 9.790 1.00 55.44 N ATOM 0 H ARG A 75 -14.951 -30.009 8.119 1.00 23.44 H new ATOM 0 HA ARG A 75 -15.154 -30.644 10.885 1.00 11.02 H new ATOM 0 HB2 ARG A 75 -13.796 -32.518 10.322 1.00 51.43 H new ATOM 0 HB3 ARG A 75 -14.836 -32.240 8.939 1.00 51.43 H new ATOM 0 HG2 ARG A 75 -12.964 -31.022 7.809 1.00 44.51 H new ATOM 0 HG3 ARG A 75 -11.930 -31.376 9.179 1.00 44.51 H new ATOM 0 HD2 ARG A 75 -13.305 -33.471 7.448 1.00 63.12 H new ATOM 0 HD3 ARG A 75 -11.631 -32.980 7.284 1.00 63.12 H new ATOM 0 HE ARG A 75 -11.781 -33.723 9.937 1.00 53.13 H new ATOM 0 HH11 ARG A 75 -12.678 -35.246 6.881 1.00 61.11 H new ATOM 0 HH12 ARG A 75 -12.390 -36.883 7.479 1.00 61.11 H new ATOM 0 HH21 ARG A 75 -11.412 -35.830 10.699 1.00 55.44 H new ATOM 0 HH22 ARG A 75 -11.677 -37.213 9.631 1.00 55.44 H new ATOM 1214 N LEU A 76 -12.428 -29.120 9.844 1.00 51.32 N ATOM 1215 CA LEU A 76 -11.237 -28.405 10.291 1.00 33.51 C ATOM 1216 C LEU A 76 -11.615 -27.126 11.031 1.00 34.31 C ATOM 1217 O LEU A 76 -10.937 -26.720 11.974 1.00 1.44 O ATOM 1218 CB LEU A 76 -10.340 -28.072 9.098 1.00 54.22 C ATOM 1219 CG LEU A 76 -10.587 -26.718 8.430 1.00 31.35 C ATOM 1220 CD1 LEU A 76 -9.864 -25.612 9.183 1.00 21.32 C ATOM 1221 CD2 LEU A 76 -10.145 -26.753 6.975 1.00 44.21 C ATOM 0 H LEU A 76 -12.596 -29.071 8.839 1.00 51.32 H new ATOM 0 HA LEU A 76 -10.692 -29.052 10.978 1.00 33.51 H new ATOM 0 HB2 LEU A 76 -9.302 -28.108 9.428 1.00 54.22 H new ATOM 0 HB3 LEU A 76 -10.463 -28.853 8.347 1.00 54.22 H new ATOM 0 HG LEU A 76 -11.656 -26.509 8.459 1.00 31.35 H new ATOM 0 HD11 LEU A 76 -10.051 -24.656 8.694 1.00 21.32 H new ATOM 0 HD12 LEU A 76 -10.229 -25.572 10.209 1.00 21.32 H new ATOM 0 HD13 LEU A 76 -8.793 -25.814 9.187 1.00 21.32 H new ATOM 0 HD21 LEU A 76 -10.328 -25.782 6.516 1.00 44.21 H new ATOM 0 HD22 LEU A 76 -9.081 -26.984 6.923 1.00 44.21 H new ATOM 0 HD23 LEU A 76 -10.709 -27.519 6.442 1.00 44.21 H new ATOM 1233 N ARG A 77 -12.703 -26.498 10.598 1.00 54.10 N ATOM 1234 CA ARG A 77 -13.172 -25.266 11.220 1.00 54.40 C ATOM 1235 C ARG A 77 -13.580 -25.509 12.670 1.00 21.41 C ATOM 1236 O ARG A 77 -13.222 -24.742 13.563 1.00 12.43 O ATOM 1237 CB ARG A 77 -14.354 -24.692 10.437 1.00 54.44 C ATOM 1238 CG ARG A 77 -14.822 -23.337 10.945 1.00 62.44 C ATOM 1239 CD ARG A 77 -15.956 -23.480 11.947 1.00 12.22 C ATOM 1240 NE ARG A 77 -17.114 -24.158 11.371 1.00 53.53 N ATOM 1241 CZ ARG A 77 -18.257 -24.343 12.022 1.00 22.25 C ATOM 1242 NH1 ARG A 77 -18.394 -23.904 13.266 1.00 44.31 N ATOM 1243 NH2 ARG A 77 -19.266 -24.969 11.430 1.00 22.21 N ATOM 0 H ARG A 77 -13.276 -26.822 9.819 1.00 54.10 H new ATOM 0 HA ARG A 77 -12.352 -24.548 11.207 1.00 54.40 H new ATOM 0 HB2 ARG A 77 -14.073 -24.600 9.388 1.00 54.44 H new ATOM 0 HB3 ARG A 77 -15.186 -25.395 10.484 1.00 54.44 H new ATOM 0 HG2 ARG A 77 -13.987 -22.814 11.411 1.00 62.44 H new ATOM 0 HG3 ARG A 77 -15.152 -22.726 10.105 1.00 62.44 H new ATOM 0 HD2 ARG A 77 -15.604 -24.038 12.815 1.00 12.22 H new ATOM 0 HD3 ARG A 77 -16.253 -22.493 12.301 1.00 12.22 H new ATOM 0 HE ARG A 77 -17.041 -24.509 10.416 1.00 53.53 H new ATOM 0 HH11 ARG A 77 -17.621 -23.423 13.725 1.00 44.31 H new ATOM 0 HH12 ARG A 77 -19.273 -24.047 13.764 1.00 44.31 H new ATOM 0 HH21 ARG A 77 -19.165 -25.309 10.474 1.00 22.21 H new ATOM 0 HH22 ARG A 77 -20.143 -25.110 11.931 1.00 22.21 H new ATOM 1257 N SER A 78 -14.330 -26.583 12.896 1.00 15.21 N ATOM 1258 CA SER A 78 -14.790 -26.926 14.237 1.00 54.53 C ATOM 1259 C SER A 78 -13.697 -27.649 15.018 1.00 53.42 C ATOM 1260 O SER A 78 -13.899 -28.052 16.163 1.00 12.14 O ATOM 1261 CB SER A 78 -16.043 -27.801 14.161 1.00 41.10 C ATOM 1262 OG SER A 78 -16.752 -27.783 15.388 1.00 73.35 O ATOM 0 H SER A 78 -14.632 -27.231 12.168 1.00 15.21 H new ATOM 0 HA SER A 78 -15.033 -26.000 14.759 1.00 54.53 H new ATOM 0 HB2 SER A 78 -16.690 -27.447 13.358 1.00 41.10 H new ATOM 0 HB3 SER A 78 -15.761 -28.825 13.915 1.00 41.10 H new ATOM 0 HG SER A 78 -17.549 -28.348 15.314 1.00 73.35 H new ATOM 1268 N LYS A 79 -12.538 -27.809 14.389 1.00 23.33 N ATOM 1269 CA LYS A 79 -11.410 -28.482 15.023 1.00 32.22 C ATOM 1270 C LYS A 79 -10.612 -27.511 15.887 1.00 14.41 C ATOM 1271 O LYS A 79 -10.144 -27.868 16.968 1.00 23.12 O ATOM 1272 CB LYS A 79 -10.499 -29.104 13.962 1.00 32.45 C ATOM 1273 CG LYS A 79 -10.485 -30.623 13.988 1.00 3.01 C ATOM 1274 CD LYS A 79 -9.723 -31.193 12.804 1.00 62.43 C ATOM 1275 CE LYS A 79 -8.461 -31.918 13.249 1.00 54.51 C ATOM 1276 NZ LYS A 79 -8.773 -33.195 13.948 1.00 63.23 N ATOM 0 H LYS A 79 -12.355 -27.482 13.440 1.00 23.33 H new ATOM 0 HA LYS A 79 -11.804 -29.271 15.664 1.00 32.22 H new ATOM 0 HB2 LYS A 79 -10.821 -28.769 12.976 1.00 32.45 H new ATOM 0 HB3 LYS A 79 -9.483 -28.737 14.107 1.00 32.45 H new ATOM 0 HG2 LYS A 79 -10.029 -30.968 14.916 1.00 3.01 H new ATOM 0 HG3 LYS A 79 -11.509 -30.998 13.978 1.00 3.01 H new ATOM 0 HD2 LYS A 79 -10.365 -31.882 12.255 1.00 62.43 H new ATOM 0 HD3 LYS A 79 -9.459 -30.388 12.118 1.00 62.43 H new ATOM 0 HE2 LYS A 79 -7.834 -32.123 12.381 1.00 54.51 H new ATOM 0 HE3 LYS A 79 -7.886 -31.272 13.912 1.00 54.51 H new ATOM 0 HZ1 LYS A 79 -7.890 -33.708 14.145 1.00 63.23 H new ATOM 0 HZ2 LYS A 79 -9.262 -32.990 14.843 1.00 63.23 H new ATOM 0 HZ3 LYS A 79 -9.386 -33.780 13.345 1.00 63.23 H new ATOM 1290 N ILE A 80 -10.463 -26.282 15.404 1.00 15.21 N ATOM 1291 CA ILE A 80 -9.725 -25.259 16.134 1.00 2.01 C ATOM 1292 C ILE A 80 -10.470 -23.928 16.121 1.00 23.42 C ATOM 1293 O ILE A 80 -10.564 -23.248 17.143 1.00 61.10 O ATOM 1294 CB ILE A 80 -8.317 -25.052 15.544 1.00 32.33 C ATOM 1295 CG1 ILE A 80 -7.602 -23.907 16.264 1.00 51.11 C ATOM 1296 CG2 ILE A 80 -8.404 -24.775 14.051 1.00 53.40 C ATOM 1297 CD1 ILE A 80 -7.461 -24.124 17.754 1.00 32.12 C ATOM 0 H ILE A 80 -10.844 -25.971 14.510 1.00 15.21 H new ATOM 0 HA ILE A 80 -9.632 -25.610 17.162 1.00 2.01 H new ATOM 0 HB ILE A 80 -7.739 -25.965 15.691 1.00 32.33 H new ATOM 0 HG12 ILE A 80 -6.611 -23.777 15.829 1.00 51.11 H new ATOM 0 HG13 ILE A 80 -8.150 -22.981 16.090 1.00 51.11 H new ATOM 0 HG21 ILE A 80 -7.401 -24.631 13.649 1.00 53.40 H new ATOM 0 HG22 ILE A 80 -8.878 -25.620 13.551 1.00 53.40 H new ATOM 0 HG23 ILE A 80 -8.996 -23.875 13.882 1.00 53.40 H new ATOM 0 HD11 ILE A 80 -6.945 -23.273 18.198 1.00 32.12 H new ATOM 0 HD12 ILE A 80 -8.450 -24.223 18.202 1.00 32.12 H new ATOM 0 HD13 ILE A 80 -6.887 -25.032 17.937 1.00 32.12 H new ATOM 1309 N ASP A 81 -10.999 -23.564 14.958 1.00 24.23 N ATOM 1310 CA ASP A 81 -11.738 -22.316 14.812 1.00 34.03 C ATOM 1311 C ASP A 81 -12.993 -22.323 15.680 1.00 73.53 C ATOM 1312 O ASP A 81 -13.521 -21.269 16.035 1.00 62.23 O ATOM 1313 CB ASP A 81 -12.117 -22.091 13.348 1.00 71.14 C ATOM 1314 CG ASP A 81 -12.089 -20.626 12.961 1.00 42.42 C ATOM 1315 OD1 ASP A 81 -13.086 -19.922 13.227 1.00 3.25 O ATOM 1316 OD2 ASP A 81 -11.070 -20.182 12.392 1.00 25.11 O ATOM 0 H ASP A 81 -10.930 -24.116 14.103 1.00 24.23 H new ATOM 0 HA ASP A 81 -11.094 -21.501 15.142 1.00 34.03 H new ATOM 0 HB2 ASP A 81 -11.430 -22.646 12.709 1.00 71.14 H new ATOM 0 HB3 ASP A 81 -13.114 -22.492 13.168 1.00 71.14 H new ATOM 1321 N ASP A 82 -13.466 -23.518 16.016 1.00 35.32 N ATOM 1322 CA ASP A 82 -14.660 -23.663 16.842 1.00 24.30 C ATOM 1323 C ASP A 82 -14.546 -22.827 18.113 1.00 61.02 C ATOM 1324 O ASP A 82 -15.549 -22.358 18.651 1.00 20.21 O ATOM 1325 CB ASP A 82 -14.881 -25.133 17.202 1.00 31.20 C ATOM 1326 CG ASP A 82 -16.325 -25.562 17.025 1.00 45.55 C ATOM 1327 OD1 ASP A 82 -16.972 -25.086 16.068 1.00 3.30 O ATOM 1328 OD2 ASP A 82 -16.807 -26.373 17.842 1.00 62.35 O ATOM 0 H ASP A 82 -13.042 -24.400 15.730 1.00 35.32 H new ATOM 0 HA ASP A 82 -15.515 -23.305 16.268 1.00 24.30 H new ATOM 0 HB2 ASP A 82 -14.241 -25.757 16.578 1.00 31.20 H new ATOM 0 HB3 ASP A 82 -14.580 -25.300 18.236 1.00 31.20 H new ATOM 1333 N ASP A 83 -13.319 -22.645 18.587 1.00 25.33 N ATOM 1334 CA ASP A 83 -13.073 -21.866 19.795 1.00 13.40 C ATOM 1335 C ASP A 83 -11.851 -20.969 19.624 1.00 12.31 C ATOM 1336 O ASP A 83 -10.973 -20.928 20.486 1.00 40.50 O ATOM 1337 CB ASP A 83 -12.877 -22.793 20.995 1.00 21.03 C ATOM 1338 CG ASP A 83 -13.080 -22.080 22.317 1.00 15.25 C ATOM 1339 OD1 ASP A 83 -14.131 -21.426 22.483 1.00 53.13 O ATOM 1340 OD2 ASP A 83 -12.189 -22.175 23.187 1.00 44.42 O ATOM 0 H ASP A 83 -12.478 -23.026 18.153 1.00 25.33 H new ATOM 0 HA ASP A 83 -13.943 -21.234 19.973 1.00 13.40 H new ATOM 0 HB2 ASP A 83 -13.576 -23.627 20.924 1.00 21.03 H new ATOM 0 HB3 ASP A 83 -11.873 -23.215 20.964 1.00 21.03 H new ATOM 1345 N PHE A 84 -11.801 -20.252 18.506 1.00 70.52 N ATOM 1346 CA PHE A 84 -10.686 -19.358 18.221 1.00 45.45 C ATOM 1347 C PHE A 84 -11.152 -18.144 17.422 1.00 13.01 C ATOM 1348 O PHE A 84 -10.747 -17.015 17.697 1.00 53.04 O ATOM 1349 CB PHE A 84 -9.593 -20.100 17.449 1.00 62.32 C ATOM 1350 CG PHE A 84 -8.379 -20.410 18.277 1.00 2.13 C ATOM 1351 CD1 PHE A 84 -8.403 -21.435 19.209 1.00 22.11 C ATOM 1352 CD2 PHE A 84 -7.214 -19.676 18.124 1.00 65.32 C ATOM 1353 CE1 PHE A 84 -7.287 -21.721 19.973 1.00 33.42 C ATOM 1354 CE2 PHE A 84 -6.095 -19.958 18.885 1.00 64.32 C ATOM 1355 CZ PHE A 84 -6.131 -20.983 19.810 1.00 15.00 C ATOM 0 H PHE A 84 -12.520 -20.273 17.783 1.00 70.52 H new ATOM 0 HA PHE A 84 -10.279 -19.012 19.171 1.00 45.45 H new ATOM 0 HB2 PHE A 84 -10.004 -21.031 17.058 1.00 62.32 H new ATOM 0 HB3 PHE A 84 -9.294 -19.499 16.591 1.00 62.32 H new ATOM 0 HD1 PHE A 84 -9.303 -22.017 19.340 1.00 22.11 H new ATOM 0 HD2 PHE A 84 -7.180 -18.874 17.402 1.00 65.32 H new ATOM 0 HE1 PHE A 84 -7.319 -22.521 20.697 1.00 33.42 H new ATOM 0 HE2 PHE A 84 -5.193 -19.377 18.756 1.00 64.32 H new ATOM 0 HZ PHE A 84 -5.257 -21.207 20.404 1.00 15.00 H new ATOM 1365 N GLU A 85 -12.006 -18.387 16.433 1.00 53.24 N ATOM 1366 CA GLU A 85 -12.527 -17.314 15.593 1.00 11.04 C ATOM 1367 C GLU A 85 -13.980 -17.579 15.210 1.00 32.44 C ATOM 1368 O GLU A 85 -14.469 -18.707 15.274 1.00 33.43 O ATOM 1369 CB GLU A 85 -11.675 -17.164 14.332 1.00 63.14 C ATOM 1370 CG GLU A 85 -10.533 -16.173 14.482 1.00 13.42 C ATOM 1371 CD GLU A 85 -10.084 -15.594 13.155 1.00 53.34 C ATOM 1372 OE1 GLU A 85 -9.600 -16.369 12.303 1.00 32.04 O ATOM 1373 OE2 GLU A 85 -10.217 -14.366 12.967 1.00 65.43 O ATOM 0 H GLU A 85 -12.352 -19.316 16.194 1.00 53.24 H new ATOM 0 HA GLU A 85 -12.484 -16.387 16.164 1.00 11.04 H new ATOM 0 HB2 GLU A 85 -11.266 -18.138 14.062 1.00 63.14 H new ATOM 0 HB3 GLU A 85 -12.314 -16.847 13.508 1.00 63.14 H new ATOM 0 HG2 GLU A 85 -10.845 -15.362 15.141 1.00 13.42 H new ATOM 0 HG3 GLU A 85 -9.689 -16.667 14.962 1.00 13.42 H new ATOM 1380 N PRO A 86 -14.688 -16.515 14.803 1.00 60.41 N ATOM 1381 CA PRO A 86 -16.095 -16.607 14.402 1.00 61.25 C ATOM 1382 C PRO A 86 -16.274 -17.354 13.084 1.00 34.13 C ATOM 1383 O PRO A 86 -15.302 -17.657 12.393 1.00 61.51 O ATOM 1384 CB PRO A 86 -16.516 -15.144 14.248 1.00 51.40 C ATOM 1385 CG PRO A 86 -15.251 -14.414 13.952 1.00 32.41 C ATOM 1386 CD PRO A 86 -14.169 -15.141 14.702 1.00 32.01 C ATOM 0 HA PRO A 86 -16.690 -17.162 15.127 1.00 61.25 H new ATOM 0 HB2 PRO A 86 -17.240 -15.023 13.442 1.00 51.40 H new ATOM 0 HB3 PRO A 86 -16.986 -14.769 15.158 1.00 51.40 H new ATOM 0 HG2 PRO A 86 -15.046 -14.406 12.881 1.00 32.41 H new ATOM 0 HG3 PRO A 86 -15.316 -13.374 14.272 1.00 32.41 H new ATOM 0 HD2 PRO A 86 -13.219 -15.109 14.169 1.00 32.01 H new ATOM 0 HD3 PRO A 86 -13.998 -14.703 15.685 1.00 32.01 H new ATOM 1394 N LYS A 87 -17.524 -17.648 12.742 1.00 71.03 N ATOM 1395 CA LYS A 87 -17.832 -18.358 11.506 1.00 33.21 C ATOM 1396 C LYS A 87 -17.546 -17.483 10.290 1.00 71.32 C ATOM 1397 O LYS A 87 -18.358 -16.635 9.918 1.00 43.32 O ATOM 1398 CB LYS A 87 -19.298 -18.797 11.498 1.00 34.22 C ATOM 1399 CG LYS A 87 -19.694 -19.619 12.713 1.00 42.21 C ATOM 1400 CD LYS A 87 -21.195 -19.587 12.943 1.00 14.41 C ATOM 1401 CE LYS A 87 -21.945 -20.306 11.833 1.00 72.53 C ATOM 1402 NZ LYS A 87 -21.908 -21.785 12.006 1.00 24.01 N ATOM 0 H LYS A 87 -18.340 -17.406 13.304 1.00 71.03 H new ATOM 0 HA LYS A 87 -17.194 -19.240 11.455 1.00 33.21 H new ATOM 0 HB2 LYS A 87 -19.933 -17.913 11.446 1.00 34.22 H new ATOM 0 HB3 LYS A 87 -19.489 -19.380 10.597 1.00 34.22 H new ATOM 0 HG2 LYS A 87 -19.368 -20.650 12.578 1.00 42.21 H new ATOM 0 HG3 LYS A 87 -19.182 -19.236 13.595 1.00 42.21 H new ATOM 0 HD2 LYS A 87 -21.427 -20.052 13.901 1.00 14.41 H new ATOM 0 HD3 LYS A 87 -21.533 -18.552 13.001 1.00 14.41 H new ATOM 0 HE2 LYS A 87 -22.981 -19.968 11.817 1.00 72.53 H new ATOM 0 HE3 LYS A 87 -21.509 -20.042 10.870 1.00 72.53 H new ATOM 0 HZ1 LYS A 87 -22.430 -22.239 11.229 1.00 24.01 H new ATOM 0 HZ2 LYS A 87 -20.920 -22.111 11.996 1.00 24.01 H new ATOM 0 HZ3 LYS A 87 -22.347 -22.039 12.914 1.00 24.01 H new ATOM 1416 N LEU A 88 -16.389 -17.696 9.673 1.00 2.12 N ATOM 1417 CA LEU A 88 -15.996 -16.927 8.497 1.00 32.50 C ATOM 1418 C LEU A 88 -16.311 -17.693 7.216 1.00 20.41 C ATOM 1419 O LEU A 88 -16.032 -17.220 6.114 1.00 72.20 O ATOM 1420 CB LEU A 88 -14.503 -16.598 8.554 1.00 55.22 C ATOM 1421 CG LEU A 88 -14.044 -15.772 9.756 1.00 23.41 C ATOM 1422 CD1 LEU A 88 -12.596 -15.338 9.584 1.00 74.54 C ATOM 1423 CD2 LEU A 88 -14.946 -14.562 9.949 1.00 61.15 C ATOM 0 H LEU A 88 -15.707 -18.395 9.967 1.00 2.12 H new ATOM 0 HA LEU A 88 -16.566 -15.998 8.493 1.00 32.50 H new ATOM 0 HB2 LEU A 88 -13.944 -17.534 8.547 1.00 55.22 H new ATOM 0 HB3 LEU A 88 -14.235 -16.060 7.645 1.00 55.22 H new ATOM 0 HG LEU A 88 -14.112 -16.396 10.647 1.00 23.41 H new ATOM 0 HD11 LEU A 88 -12.287 -14.751 10.449 1.00 74.54 H new ATOM 0 HD12 LEU A 88 -11.960 -16.219 9.497 1.00 74.54 H new ATOM 0 HD13 LEU A 88 -12.502 -14.732 8.683 1.00 74.54 H new ATOM 0 HD21 LEU A 88 -14.604 -13.986 10.809 1.00 61.15 H new ATOM 0 HD22 LEU A 88 -14.912 -13.937 9.057 1.00 61.15 H new ATOM 0 HD23 LEU A 88 -15.970 -14.895 10.120 1.00 61.15 H new ATOM 1435 N ILE A 89 -16.895 -18.877 7.369 1.00 22.21 N ATOM 1436 CA ILE A 89 -17.251 -19.707 6.224 1.00 4.45 C ATOM 1437 C ILE A 89 -18.570 -19.256 5.608 1.00 53.52 C ATOM 1438 O ILE A 89 -19.595 -19.188 6.288 1.00 62.03 O ATOM 1439 CB ILE A 89 -17.362 -21.191 6.618 1.00 23.40 C ATOM 1440 CG1 ILE A 89 -16.034 -21.690 7.193 1.00 52.04 C ATOM 1441 CG2 ILE A 89 -17.773 -22.029 5.416 1.00 4.40 C ATOM 1442 CD1 ILE A 89 -16.079 -23.129 7.656 1.00 63.33 C ATOM 0 H ILE A 89 -17.132 -19.283 8.274 1.00 22.21 H new ATOM 0 HA ILE A 89 -16.453 -19.593 5.491 1.00 4.45 H new ATOM 0 HB ILE A 89 -18.129 -21.291 7.386 1.00 23.40 H new ATOM 0 HG12 ILE A 89 -15.257 -21.585 6.436 1.00 52.04 H new ATOM 0 HG13 ILE A 89 -15.749 -21.055 8.032 1.00 52.04 H new ATOM 0 HG21 ILE A 89 -17.847 -23.076 5.711 1.00 4.40 H new ATOM 0 HG22 ILE A 89 -18.740 -21.686 5.047 1.00 4.40 H new ATOM 0 HG23 ILE A 89 -17.027 -21.926 4.628 1.00 4.40 H new ATOM 0 HD11 ILE A 89 -15.104 -23.415 8.051 1.00 63.33 H new ATOM 0 HD12 ILE A 89 -16.833 -23.237 8.436 1.00 63.33 H new ATOM 0 HD13 ILE A 89 -16.333 -23.774 6.815 1.00 63.33 H new ATOM 1454 N HIS A 90 -18.539 -18.949 4.315 1.00 62.13 N ATOM 1455 CA HIS A 90 -19.734 -18.507 3.605 1.00 44.44 C ATOM 1456 C HIS A 90 -19.844 -19.194 2.247 1.00 55.11 C ATOM 1457 O HIS A 90 -18.913 -19.157 1.442 1.00 21.42 O ATOM 1458 CB HIS A 90 -19.711 -16.989 3.421 1.00 45.04 C ATOM 1459 CG HIS A 90 -20.249 -16.235 4.597 1.00 2.33 C ATOM 1460 ND1 HIS A 90 -21.475 -15.604 4.590 1.00 41.11 N ATOM 1461 CD2 HIS A 90 -19.721 -16.014 5.824 1.00 41.41 C ATOM 1462 CE1 HIS A 90 -21.677 -15.026 5.760 1.00 12.25 C ATOM 1463 NE2 HIS A 90 -20.628 -15.260 6.528 1.00 43.24 N ATOM 0 H HIS A 90 -17.700 -18.998 3.738 1.00 62.13 H new ATOM 0 HA HIS A 90 -20.604 -18.780 4.202 1.00 44.44 H new ATOM 0 HB2 HIS A 90 -18.686 -16.670 3.233 1.00 45.04 H new ATOM 0 HB3 HIS A 90 -20.293 -16.730 2.537 1.00 45.04 H new ATOM 0 HD2 HIS A 90 -18.765 -16.365 6.182 1.00 41.41 H new ATOM 0 HE1 HIS A 90 -22.552 -14.458 6.041 1.00 12.25 H new ATOM 0 HE2 HIS A 90 -20.511 -14.934 7.487 1.00 43.24 H new ATOM 1471 N THR A 91 -20.990 -19.821 1.998 1.00 21.43 N ATOM 1472 CA THR A 91 -21.222 -20.519 0.740 1.00 42.43 C ATOM 1473 C THR A 91 -22.519 -20.056 0.086 1.00 44.55 C ATOM 1474 O THR A 91 -23.609 -20.318 0.592 1.00 15.12 O ATOM 1475 CB THR A 91 -21.280 -22.044 0.945 1.00 61.12 C ATOM 1476 OG1 THR A 91 -20.030 -22.517 1.459 1.00 31.13 O ATOM 1477 CG2 THR A 91 -21.597 -22.754 -0.363 1.00 33.25 C ATOM 0 H THR A 91 -21.772 -19.859 2.652 1.00 21.43 H new ATOM 0 HA THR A 91 -20.383 -20.280 0.087 1.00 42.43 H new ATOM 0 HB THR A 91 -22.073 -22.262 1.660 1.00 61.12 H new ATOM 0 HG1 THR A 91 -19.779 -23.345 0.998 1.00 31.13 H new ATOM 0 HG21 THR A 91 -21.633 -23.830 -0.193 1.00 33.25 H new ATOM 0 HG22 THR A 91 -22.562 -22.413 -0.737 1.00 33.25 H new ATOM 0 HG23 THR A 91 -20.823 -22.528 -1.097 1.00 33.25 H new ATOM 1485 N VAL A 92 -22.393 -19.366 -1.044 1.00 1.43 N ATOM 1486 CA VAL A 92 -23.556 -18.867 -1.769 1.00 23.34 C ATOM 1487 C VAL A 92 -24.307 -20.005 -2.450 1.00 73.13 C ATOM 1488 O VAL A 92 -23.706 -20.848 -3.116 1.00 74.34 O ATOM 1489 CB VAL A 92 -23.152 -17.826 -2.829 1.00 11.52 C ATOM 1490 CG1 VAL A 92 -24.386 -17.166 -3.426 1.00 4.40 C ATOM 1491 CG2 VAL A 92 -22.220 -16.786 -2.226 1.00 12.55 C ATOM 0 H VAL A 92 -21.497 -19.140 -1.477 1.00 1.43 H new ATOM 0 HA VAL A 92 -24.208 -18.393 -1.035 1.00 23.34 H new ATOM 0 HB VAL A 92 -22.619 -18.337 -3.631 1.00 11.52 H new ATOM 0 HG11 VAL A 92 -24.081 -16.433 -4.173 1.00 4.40 H new ATOM 0 HG12 VAL A 92 -25.013 -17.924 -3.896 1.00 4.40 H new ATOM 0 HG13 VAL A 92 -24.949 -16.667 -2.637 1.00 4.40 H new ATOM 0 HG21 VAL A 92 -21.945 -16.058 -2.989 1.00 12.55 H new ATOM 0 HG22 VAL A 92 -22.725 -16.277 -1.405 1.00 12.55 H new ATOM 0 HG23 VAL A 92 -21.322 -17.276 -1.851 1.00 12.55 H new ATOM 1501 N ARG A 93 -25.625 -20.022 -2.280 1.00 32.45 N ATOM 1502 CA ARG A 93 -26.460 -21.057 -2.878 1.00 24.31 C ATOM 1503 C ARG A 93 -26.511 -20.905 -4.395 1.00 41.42 C ATOM 1504 O ARG A 93 -27.417 -20.272 -4.935 1.00 73.14 O ATOM 1505 CB ARG A 93 -27.875 -20.998 -2.300 1.00 71.25 C ATOM 1506 CG ARG A 93 -27.965 -21.470 -0.859 1.00 21.45 C ATOM 1507 CD ARG A 93 -29.269 -21.033 -0.209 1.00 45.13 C ATOM 1508 NE ARG A 93 -29.291 -21.321 1.222 1.00 4.23 N ATOM 1509 CZ ARG A 93 -29.408 -22.545 1.724 1.00 32.10 C ATOM 1510 NH1 ARG A 93 -29.513 -23.590 0.914 1.00 13.33 N ATOM 1511 NH2 ARG A 93 -29.420 -22.726 3.038 1.00 32.54 N ATOM 0 H ARG A 93 -26.138 -19.331 -1.733 1.00 32.45 H new ATOM 0 HA ARG A 93 -26.019 -22.026 -2.642 1.00 24.31 H new ATOM 0 HB2 ARG A 93 -28.241 -19.973 -2.361 1.00 71.25 H new ATOM 0 HB3 ARG A 93 -28.535 -21.609 -2.915 1.00 71.25 H new ATOM 0 HG2 ARG A 93 -27.887 -22.557 -0.826 1.00 21.45 H new ATOM 0 HG3 ARG A 93 -27.123 -21.072 -0.292 1.00 21.45 H new ATOM 0 HD2 ARG A 93 -29.412 -19.964 -0.366 1.00 45.13 H new ATOM 0 HD3 ARG A 93 -30.103 -21.540 -0.694 1.00 45.13 H new ATOM 0 HE ARG A 93 -29.212 -20.539 1.872 1.00 4.23 H new ATOM 0 HH11 ARG A 93 -29.504 -23.455 -0.097 1.00 13.33 H new ATOM 0 HH12 ARG A 93 -29.603 -24.529 1.302 1.00 13.33 H new ATOM 0 HH21 ARG A 93 -29.339 -21.925 3.664 1.00 32.54 H new ATOM 0 HH22 ARG A 93 -29.510 -23.666 3.422 1.00 32.54 H new ATOM 1525 N GLY A 94 -25.530 -21.489 -5.077 1.00 53.43 N ATOM 1526 CA GLY A 94 -25.482 -21.405 -6.525 1.00 60.34 C ATOM 1527 C GLY A 94 -24.198 -20.776 -7.027 1.00 43.33 C ATOM 1528 O GLY A 94 -24.189 -20.105 -8.059 1.00 14.21 O ATOM 0 H GLY A 94 -24.768 -22.018 -4.653 1.00 53.43 H new ATOM 0 HA2 GLY A 94 -25.582 -22.405 -6.947 1.00 60.34 H new ATOM 0 HA3 GLY A 94 -26.332 -20.822 -6.880 1.00 60.34 H new ATOM 1532 N ALA A 95 -23.110 -20.991 -6.295 1.00 44.32 N ATOM 1533 CA ALA A 95 -21.814 -20.440 -6.672 1.00 40.53 C ATOM 1534 C ALA A 95 -20.694 -21.440 -6.408 1.00 1.10 C ATOM 1535 O ALA A 95 -20.125 -22.009 -7.338 1.00 64.41 O ATOM 1536 CB ALA A 95 -21.554 -19.142 -5.921 1.00 64.14 C ATOM 0 H ALA A 95 -23.100 -21.543 -5.437 1.00 44.32 H new ATOM 0 HA ALA A 95 -21.833 -20.231 -7.742 1.00 40.53 H new ATOM 0 HB1 ALA A 95 -20.583 -18.741 -6.212 1.00 64.14 H new ATOM 0 HB2 ALA A 95 -22.332 -18.419 -6.164 1.00 64.14 H new ATOM 0 HB3 ALA A 95 -21.560 -19.335 -4.848 1.00 64.14 H new ATOM 1542 N GLY A 96 -20.382 -21.649 -5.132 1.00 43.24 N ATOM 1543 CA GLY A 96 -19.330 -22.580 -4.769 1.00 61.30 C ATOM 1544 C GLY A 96 -18.932 -22.465 -3.311 1.00 23.10 C ATOM 1545 O GLY A 96 -19.590 -23.025 -2.434 1.00 55.23 O ATOM 0 H GLY A 96 -20.839 -21.190 -4.344 1.00 43.24 H new ATOM 0 HA2 GLY A 96 -19.664 -23.598 -4.972 1.00 61.30 H new ATOM 0 HA3 GLY A 96 -18.457 -22.400 -5.396 1.00 61.30 H new ATOM 1549 N TYR A 97 -17.850 -21.739 -3.050 1.00 73.15 N ATOM 1550 CA TYR A 97 -17.363 -21.556 -1.689 1.00 4.23 C ATOM 1551 C TYR A 97 -16.486 -20.311 -1.587 1.00 32.23 C ATOM 1552 O TYR A 97 -15.652 -20.052 -2.454 1.00 51.03 O ATOM 1553 CB TYR A 97 -16.575 -22.786 -1.237 1.00 24.52 C ATOM 1554 CG TYR A 97 -16.930 -23.256 0.156 1.00 55.32 C ATOM 1555 CD1 TYR A 97 -16.363 -22.661 1.276 1.00 31.33 C ATOM 1556 CD2 TYR A 97 -17.833 -24.294 0.351 1.00 0.32 C ATOM 1557 CE1 TYR A 97 -16.685 -23.087 2.551 1.00 44.13 C ATOM 1558 CE2 TYR A 97 -18.161 -24.725 1.622 1.00 55.22 C ATOM 1559 CZ TYR A 97 -17.585 -24.119 2.718 1.00 4.42 C ATOM 1560 OH TYR A 97 -17.908 -24.546 3.986 1.00 71.24 O ATOM 0 H TYR A 97 -17.294 -21.268 -3.764 1.00 73.15 H new ATOM 0 HA TYR A 97 -18.226 -21.425 -1.036 1.00 4.23 H new ATOM 0 HB2 TYR A 97 -16.752 -23.599 -1.941 1.00 24.52 H new ATOM 0 HB3 TYR A 97 -15.510 -22.558 -1.274 1.00 24.52 H new ATOM 0 HD1 TYR A 97 -15.659 -21.852 1.148 1.00 31.33 H new ATOM 0 HD2 TYR A 97 -18.286 -24.772 -0.505 1.00 0.32 H new ATOM 0 HE1 TYR A 97 -16.235 -22.615 3.411 1.00 44.13 H new ATOM 0 HE2 TYR A 97 -18.865 -25.533 1.756 1.00 55.22 H new ATOM 0 HH TYR A 97 -18.307 -25.440 3.938 1.00 71.24 H new ATOM 1570 N VAL A 98 -16.681 -19.544 -0.519 1.00 55.30 N ATOM 1571 CA VAL A 98 -15.909 -18.327 -0.301 1.00 2.24 C ATOM 1572 C VAL A 98 -15.719 -18.056 1.188 1.00 63.14 C ATOM 1573 O VAL A 98 -16.472 -18.559 2.023 1.00 61.15 O ATOM 1574 CB VAL A 98 -16.588 -17.107 -0.951 1.00 2.45 C ATOM 1575 CG1 VAL A 98 -17.835 -16.713 -0.174 1.00 2.42 C ATOM 1576 CG2 VAL A 98 -15.615 -15.941 -1.040 1.00 2.32 C ATOM 0 H VAL A 98 -17.367 -19.744 0.209 1.00 55.30 H new ATOM 0 HA VAL A 98 -14.936 -18.482 -0.766 1.00 2.24 H new ATOM 0 HB VAL A 98 -16.890 -17.377 -1.963 1.00 2.45 H new ATOM 0 HG11 VAL A 98 -18.301 -15.849 -0.648 1.00 2.42 H new ATOM 0 HG12 VAL A 98 -18.538 -17.546 -0.167 1.00 2.42 H new ATOM 0 HG13 VAL A 98 -17.561 -16.461 0.850 1.00 2.42 H new ATOM 0 HG21 VAL A 98 -16.111 -15.087 -1.502 1.00 2.32 H new ATOM 0 HG22 VAL A 98 -15.281 -15.669 -0.039 1.00 2.32 H new ATOM 0 HG23 VAL A 98 -14.755 -16.230 -1.643 1.00 2.32 H new ATOM 1586 N LEU A 99 -14.708 -17.258 1.514 1.00 71.13 N ATOM 1587 CA LEU A 99 -14.418 -16.919 2.903 1.00 53.04 C ATOM 1588 C LEU A 99 -14.370 -15.407 3.095 1.00 12.43 C ATOM 1589 O LEU A 99 -13.888 -14.677 2.230 1.00 55.32 O ATOM 1590 CB LEU A 99 -13.089 -17.542 3.334 1.00 75.02 C ATOM 1591 CG LEU A 99 -11.829 -16.764 2.955 1.00 40.05 C ATOM 1592 CD1 LEU A 99 -10.592 -17.445 3.518 1.00 5.14 C ATOM 1593 CD2 LEU A 99 -11.722 -16.626 1.443 1.00 60.01 C ATOM 0 H LEU A 99 -14.075 -16.834 0.836 1.00 71.13 H new ATOM 0 HA LEU A 99 -15.218 -17.321 3.524 1.00 53.04 H new ATOM 0 HB2 LEU A 99 -13.103 -17.666 4.417 1.00 75.02 H new ATOM 0 HB3 LEU A 99 -13.020 -18.539 2.900 1.00 75.02 H new ATOM 0 HG LEU A 99 -11.898 -15.766 3.387 1.00 40.05 H new ATOM 0 HD11 LEU A 99 -9.705 -16.877 3.238 1.00 5.14 H new ATOM 0 HD12 LEU A 99 -10.665 -17.492 4.605 1.00 5.14 H new ATOM 0 HD13 LEU A 99 -10.518 -18.455 3.116 1.00 5.14 H new ATOM 0 HD21 LEU A 99 -10.819 -16.069 1.191 1.00 60.01 H new ATOM 0 HD22 LEU A 99 -11.676 -17.616 0.990 1.00 60.01 H new ATOM 0 HD23 LEU A 99 -12.594 -16.093 1.064 1.00 60.01 H new ATOM 1605 N GLU A 100 -14.871 -14.944 4.237 1.00 60.33 N ATOM 1606 CA GLU A 100 -14.883 -13.519 4.543 1.00 53.33 C ATOM 1607 C GLU A 100 -15.374 -13.272 5.967 1.00 62.15 C ATOM 1608 O GLU A 100 -15.615 -14.213 6.723 1.00 61.52 O ATOM 1609 CB GLU A 100 -15.772 -12.769 3.548 1.00 11.44 C ATOM 1610 CG GLU A 100 -17.249 -13.098 3.684 1.00 72.04 C ATOM 1611 CD GLU A 100 -18.100 -12.402 2.639 1.00 71.42 C ATOM 1612 OE1 GLU A 100 -17.571 -11.513 1.940 1.00 1.31 O ATOM 1613 OE2 GLU A 100 -19.294 -12.747 2.520 1.00 73.11 O ATOM 0 H GLU A 100 -15.273 -15.535 4.964 1.00 60.33 H new ATOM 0 HA GLU A 100 -13.862 -13.147 4.460 1.00 53.33 H new ATOM 0 HB2 GLU A 100 -15.633 -11.697 3.686 1.00 11.44 H new ATOM 0 HB3 GLU A 100 -15.448 -13.005 2.534 1.00 11.44 H new ATOM 0 HG2 GLU A 100 -17.387 -14.176 3.600 1.00 72.04 H new ATOM 0 HG3 GLU A 100 -17.592 -12.809 4.678 1.00 72.04 H new ATOM 1620 N ILE A 101 -15.518 -12.001 6.324 1.00 11.43 N ATOM 1621 CA ILE A 101 -15.980 -11.630 7.656 1.00 21.12 C ATOM 1622 C ILE A 101 -17.309 -10.886 7.590 1.00 51.31 C ATOM 1623 O ILE A 101 -17.819 -10.601 6.506 1.00 12.23 O ATOM 1624 CB ILE A 101 -14.947 -10.750 8.385 1.00 35.25 C ATOM 1625 CG1 ILE A 101 -14.671 -9.478 7.582 1.00 15.51 C ATOM 1626 CG2 ILE A 101 -13.660 -11.526 8.617 1.00 23.45 C ATOM 1627 CD1 ILE A 101 -13.566 -9.635 6.562 1.00 42.11 C ATOM 0 H ILE A 101 -15.322 -11.211 5.710 1.00 11.43 H new ATOM 0 HA ILE A 101 -16.113 -12.557 8.213 1.00 21.12 H new ATOM 0 HB ILE A 101 -15.355 -10.464 9.354 1.00 35.25 H new ATOM 0 HG12 ILE A 101 -15.585 -9.175 7.072 1.00 15.51 H new ATOM 0 HG13 ILE A 101 -14.408 -8.674 8.269 1.00 15.51 H new ATOM 0 HG21 ILE A 101 -12.940 -10.891 9.133 1.00 23.45 H new ATOM 0 HG22 ILE A 101 -13.870 -12.405 9.226 1.00 23.45 H new ATOM 0 HG23 ILE A 101 -13.246 -11.839 7.658 1.00 23.45 H new ATOM 0 HD11 ILE A 101 -13.425 -8.694 6.030 1.00 42.11 H new ATOM 0 HD12 ILE A 101 -12.640 -9.908 7.068 1.00 42.11 H new ATOM 0 HD13 ILE A 101 -13.835 -10.417 5.851 1.00 42.11 H new ATOM 1639 N ARG A 102 -17.864 -10.572 8.756 1.00 52.00 N ATOM 1640 CA ARG A 102 -19.134 -9.860 8.831 1.00 51.34 C ATOM 1641 C ARG A 102 -18.928 -8.431 9.325 1.00 21.04 C ATOM 1642 O ARG A 102 -19.703 -7.533 8.998 1.00 62.23 O ATOM 1643 CB ARG A 102 -20.103 -10.597 9.757 1.00 1.21 C ATOM 1644 CG ARG A 102 -21.539 -10.600 9.259 1.00 62.14 C ATOM 1645 CD ARG A 102 -22.528 -10.702 10.409 1.00 23.42 C ATOM 1646 NE ARG A 102 -23.908 -10.781 9.939 1.00 32.31 N ATOM 1647 CZ ARG A 102 -24.961 -10.781 10.749 1.00 73.04 C ATOM 1648 NH1 ARG A 102 -24.792 -10.706 12.062 1.00 55.05 N ATOM 1649 NH2 ARG A 102 -26.187 -10.855 10.245 1.00 22.41 N ATOM 0 H ARG A 102 -17.454 -10.800 9.662 1.00 52.00 H new ATOM 0 HA ARG A 102 -19.560 -9.821 7.828 1.00 51.34 H new ATOM 0 HB2 ARG A 102 -19.766 -11.627 9.875 1.00 1.21 H new ATOM 0 HB3 ARG A 102 -20.071 -10.136 10.744 1.00 1.21 H new ATOM 0 HG2 ARG A 102 -21.731 -9.688 8.693 1.00 62.14 H new ATOM 0 HG3 ARG A 102 -21.686 -11.436 8.576 1.00 62.14 H new ATOM 0 HD2 ARG A 102 -22.298 -11.583 11.008 1.00 23.42 H new ATOM 0 HD3 ARG A 102 -22.416 -9.836 11.061 1.00 23.42 H new ATOM 0 HE ARG A 102 -24.073 -10.839 8.934 1.00 32.31 H new ATOM 0 HH11 ARG A 102 -23.852 -10.648 12.453 1.00 55.05 H new ATOM 0 HH12 ARG A 102 -25.602 -10.706 12.681 1.00 55.05 H new ATOM 0 HH21 ARG A 102 -26.321 -10.912 9.235 1.00 22.41 H new ATOM 0 HH22 ARG A 102 -26.995 -10.855 10.867 1.00 22.41 H new ATOM 1663 N GLU A 103 -17.878 -8.230 10.116 1.00 14.32 N ATOM 1664 CA GLU A 103 -17.572 -6.911 10.657 1.00 50.52 C ATOM 1665 C GLU A 103 -17.457 -5.878 9.539 1.00 2.11 C ATOM 1666 O GLU A 103 -17.726 -4.695 9.744 1.00 45.20 O ATOM 1667 CB GLU A 103 -16.272 -6.954 11.462 1.00 65.22 C ATOM 1668 CG GLU A 103 -15.024 -7.040 10.599 1.00 70.54 C ATOM 1669 CD GLU A 103 -13.747 -7.031 11.416 1.00 31.23 C ATOM 1670 OE1 GLU A 103 -13.808 -7.380 12.614 1.00 63.41 O ATOM 1671 OE2 GLU A 103 -12.688 -6.675 10.859 1.00 1.35 O ATOM 0 H GLU A 103 -17.226 -8.963 10.396 1.00 14.32 H new ATOM 0 HA GLU A 103 -18.389 -6.619 11.316 1.00 50.52 H new ATOM 0 HB2 GLU A 103 -16.211 -6.062 12.086 1.00 65.22 H new ATOM 0 HB3 GLU A 103 -16.299 -7.812 12.134 1.00 65.22 H new ATOM 0 HG2 GLU A 103 -15.062 -7.951 10.002 1.00 70.54 H new ATOM 0 HG3 GLU A 103 -15.011 -6.202 9.902 1.00 70.54 H new ATOM 1678 N GLU A 104 -17.055 -6.336 8.358 1.00 43.34 N ATOM 1679 CA GLU A 104 -16.902 -5.451 7.208 1.00 35.41 C ATOM 1680 C GLU A 104 -18.209 -4.724 6.905 1.00 50.24 C ATOM 1681 O GLU A 104 -19.283 -5.324 6.920 1.00 60.23 O ATOM 1682 CB GLU A 104 -16.452 -6.247 5.981 1.00 41.40 C ATOM 1683 CG GLU A 104 -15.999 -5.374 4.823 1.00 52.34 C ATOM 1684 CD GLU A 104 -14.780 -4.539 5.163 1.00 10.31 C ATOM 1685 OE1 GLU A 104 -13.738 -5.127 5.520 1.00 32.02 O ATOM 1686 OE2 GLU A 104 -14.868 -3.296 5.072 1.00 75.31 O ATOM 0 H GLU A 104 -16.830 -7.313 8.172 1.00 43.34 H new ATOM 0 HA GLU A 104 -16.141 -4.709 7.450 1.00 35.41 H new ATOM 0 HB2 GLU A 104 -15.635 -6.909 6.267 1.00 41.40 H new ATOM 0 HB3 GLU A 104 -17.274 -6.881 5.648 1.00 41.40 H new ATOM 0 HG2 GLU A 104 -15.774 -6.005 3.964 1.00 52.34 H new ATOM 0 HG3 GLU A 104 -16.816 -4.715 4.529 1.00 52.34 H new TER 1693 GLU A 104