USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 810 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 111 MET CE :methyl -129:sc= -7.05! (180deg=-12.5!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -7.03! C(o=-14!,f=-15!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 12 THR OG1 : rot -130:sc= -3.45! USER MOD Single : A 14 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.042) USER MOD Single : A 20 THR OG1 : rot -110:sc= -0.951 USER MOD Single : A 23 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.061) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -77:sc= -2.79 USER MOD Single : A 33 GLN : amide:sc= -2.05 X(o=-2.1,f=-2) USER MOD Single : A 37 ASN : amide:sc= -0.628 K(o=-0.63,f=-4.1!) USER MOD Single : A 41 MET CE :methyl 154:sc= -0.818 (180deg=-1.69) USER MOD Single : A 42 THR OG1 : rot 21:sc= -0.577! USER MOD Single : A 51 SER OG : rot 178:sc= -0.267 USER MOD Single : A 52 HIS : no HE2:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 55 ASN : amide:sc= -7.9! C(o=-7.9!,f=-23!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -29:sc= 1.41 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.353 (180deg=-1.51!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.439 USER MOD Single : A 66 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.34) USER MOD Single : A 69 SER OG : rot 161:sc= 0.22 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.0331 USER MOD Single : A 89 CYS SG : rot -28:sc= 0.299 USER MOD Single : A 91 GLN : amide:sc= 0.0531 K(o=0.053,f=-0.91) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 102 LYS NZ :NH3+ -165:sc= -0.0117 (180deg=-0.156) USER MOD Single : A 105 MET CE :methyl -157:sc= -3.16! (180deg=-4.94!) USER MOD Single : A 107 HIS : no HD1:sc= -8.94! C(o=-8.9!,f=-10!) USER MOD Single : A 110 HIS : no HE2:sc=-0.00219 X(o=-0.0022,f=-0.22) USER MOD Single : A 116 SER OG : rot 110:sc= -2.04! USER MOD Single : A 118 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.18) USER MOD Single : A 122 TYR OH : rot 165:sc= -1.59! USER MOD Single : A 124 HIS : no HD1:sc= -4.28 K(o=-4.3,f=-6.5) USER MOD Single : A 133 MET CE :methyl 139:sc= -6.41! (180deg=-14!) USER MOD Single : A 135 SER OG : rot 113:sc= 0.492 USER MOD Single : A 138 THR OG1 : rot 88:sc= 1.09 USER MOD Single : A 139 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.3!) USER MOD Single : A 141 MET CE :methyl -165:sc= -3.29 (180deg=-4.09) USER MOD Single : A 142 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 5.865 4.215 -15.679 1.00 1.94 N ATOM 2 CA SER A 3 6.200 5.255 -14.670 1.00 1.63 C ATOM 3 C SER A 3 5.727 4.846 -13.279 1.00 1.31 C ATOM 4 O SER A 3 5.328 3.702 -13.057 1.00 1.66 O ATOM 5 CB SER A 3 5.539 6.570 -15.086 1.00 1.81 C ATOM 6 OG SER A 3 6.374 7.677 -14.793 1.00 2.13 O ATOM 0 HA SER A 3 7.282 5.375 -14.627 1.00 1.63 H new ATOM 0 HB2 SER A 3 5.320 6.549 -16.154 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.587 6.682 -14.567 1.00 1.81 H new ATOM 0 HG SER A 3 5.929 8.505 -15.070 1.00 2.13 H new ATOM 12 N VAL A 4 5.776 5.788 -12.343 1.00 1.30 N ATOM 13 CA VAL A 4 5.351 5.525 -10.974 1.00 1.06 C ATOM 14 C VAL A 4 3.859 5.792 -10.808 1.00 0.93 C ATOM 15 O VAL A 4 3.415 6.940 -10.848 1.00 1.44 O ATOM 16 CB VAL A 4 6.138 6.384 -9.964 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.905 7.867 -10.216 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.763 6.012 -8.536 1.00 2.29 C ATOM 0 H VAL A 4 6.105 6.739 -12.508 1.00 1.30 H new ATOM 0 HA VAL A 4 5.554 4.473 -10.772 1.00 1.06 H new ATOM 0 HB VAL A 4 7.200 6.182 -10.101 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.470 8.452 -9.491 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.234 8.121 -11.224 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.843 8.091 -10.114 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.329 6.629 -7.839 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.696 6.179 -8.385 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.995 4.961 -8.361 1.00 2.29 H new ATOM 22 N LEU A 5 3.088 4.725 -10.630 1.00 0.94 N ATOM 23 CA LEU A 5 1.645 4.850 -10.466 1.00 1.34 C ATOM 24 C LEU A 5 1.158 4.076 -9.247 1.00 1.09 C ATOM 25 O LEU A 5 1.646 2.986 -8.948 1.00 1.34 O ATOM 26 CB LEU A 5 0.925 4.350 -11.720 1.00 2.05 C ATOM 27 CG LEU A 5 0.787 5.382 -12.841 1.00 2.97 C ATOM 28 CD1 LEU A 5 1.993 5.329 -13.766 1.00 3.92 C ATOM 29 CD2 LEU A 5 -0.498 5.149 -13.623 1.00 3.33 C ATOM 0 H LEU A 5 3.437 3.767 -10.596 1.00 0.94 H new ATOM 0 HA LEU A 5 1.416 5.905 -10.315 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.462 3.484 -12.108 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.070 4.008 -11.437 1.00 2.05 H new ATOM 0 HG LEU A 5 0.742 6.375 -12.393 1.00 2.97 H new ATOM 0 HD11 LEU A 5 1.878 6.070 -14.557 1.00 3.92 H new ATOM 0 HD12 LEU A 5 2.898 5.544 -13.197 1.00 3.92 H new ATOM 0 HD13 LEU A 5 2.069 4.335 -14.208 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -0.581 5.892 -14.417 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.482 4.151 -14.060 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.353 5.238 -12.953 1.00 3.33 H new ATOM 35 N VAL A 6 0.182 4.648 -8.550 1.00 0.88 N ATOM 36 CA VAL A 6 -0.390 4.019 -7.368 1.00 0.75 C ATOM 37 C VAL A 6 -1.881 4.328 -7.273 1.00 0.75 C ATOM 38 O VAL A 6 -2.290 5.484 -7.379 1.00 1.03 O ATOM 39 CB VAL A 6 0.316 4.489 -6.079 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.257 6.001 -5.955 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.297 3.822 -4.855 1.00 1.02 C ATOM 0 H VAL A 6 -0.230 5.551 -8.786 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.245 2.943 -7.466 1.00 0.75 H new ATOM 0 HB VAL A 6 1.364 4.194 -6.137 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.761 6.311 -5.039 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.752 6.456 -6.813 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.784 6.323 -5.923 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.216 4.168 -3.957 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.354 4.080 -4.791 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.192 2.740 -4.939 1.00 1.02 H new ATOM 45 N ASP A 7 -2.692 3.292 -7.090 1.00 0.72 N ATOM 46 CA ASP A 7 -4.136 3.470 -7.002 1.00 0.83 C ATOM 47 C ASP A 7 -4.687 2.971 -5.670 1.00 0.75 C ATOM 48 O ASP A 7 -4.616 1.782 -5.363 1.00 0.99 O ATOM 49 CB ASP A 7 -4.829 2.740 -8.154 1.00 1.02 C ATOM 50 CG ASP A 7 -4.972 3.612 -9.387 1.00 1.78 C ATOM 51 OD1 ASP A 7 -5.811 4.537 -9.366 1.00 2.52 O ATOM 52 OD2 ASP A 7 -4.247 3.368 -10.374 1.00 2.33 O ATOM 0 H ASP A 7 -2.377 2.326 -7.000 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.340 4.539 -7.071 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.260 1.846 -8.409 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.816 2.409 -7.830 1.00 1.02 H new ATOM 57 N LEU A 8 -5.251 3.890 -4.891 1.00 0.63 N ATOM 58 CA LEU A 8 -5.835 3.548 -3.600 1.00 0.74 C ATOM 59 C LEU A 8 -7.343 3.763 -3.630 1.00 0.59 C ATOM 60 O LEU A 8 -7.822 4.781 -4.127 1.00 0.79 O ATOM 61 CB LEU A 8 -5.199 4.377 -2.479 1.00 1.20 C ATOM 62 CG LEU A 8 -5.635 5.843 -2.417 1.00 0.83 C ATOM 63 CD1 LEU A 8 -6.971 5.977 -1.698 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.571 6.679 -1.725 1.00 1.52 C ATOM 0 H LEU A 8 -5.315 4.879 -5.133 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.635 2.495 -3.400 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.433 3.906 -1.524 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.116 4.343 -2.595 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.759 6.210 -3.436 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -7.263 7.027 -1.665 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.730 5.406 -2.232 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.877 5.594 -0.682 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.893 7.720 -1.687 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.420 6.309 -0.711 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.635 6.609 -2.280 1.00 1.52 H new ATOM 70 N GLN A 9 -8.086 2.798 -3.103 1.00 0.65 N ATOM 71 CA GLN A 9 -9.542 2.893 -3.083 1.00 0.80 C ATOM 72 C GLN A 9 -10.109 2.419 -1.751 1.00 0.79 C ATOM 73 O GLN A 9 -9.564 1.515 -1.115 1.00 0.81 O ATOM 74 CB GLN A 9 -10.141 2.074 -4.228 1.00 1.03 C ATOM 75 CG GLN A 9 -9.580 0.665 -4.327 1.00 1.27 C ATOM 76 CD GLN A 9 -9.301 0.249 -5.757 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.134 0.433 -6.645 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.122 -0.318 -5.989 1.00 2.59 N ATOM 0 H GLN A 9 -7.709 1.947 -2.687 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.811 3.941 -3.212 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.222 2.017 -4.096 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.961 2.595 -5.169 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.659 0.603 -3.748 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.285 -0.035 -3.880 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.461 -0.452 -5.224 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -7.878 -0.620 -6.932 1.00 2.59 H new ATOM 85 N ILE A 10 -11.212 3.034 -1.338 1.00 0.83 N ATOM 86 CA ILE A 10 -11.860 2.676 -0.085 1.00 0.86 C ATOM 87 C ILE A 10 -12.999 1.691 -0.318 1.00 1.02 C ATOM 88 O ILE A 10 -13.558 1.618 -1.413 1.00 1.23 O ATOM 89 CB ILE A 10 -12.409 3.913 0.655 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.802 3.533 2.081 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.600 4.506 -0.088 1.00 1.28 C ATOM 92 CD1 ILE A 10 -13.106 4.723 2.959 1.00 1.19 C ATOM 0 H ILE A 10 -11.675 3.783 -1.854 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.095 2.209 0.536 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.627 4.671 0.693 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -13.677 2.883 2.048 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.994 2.957 2.531 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.970 5.377 0.453 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.292 4.805 -1.090 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.392 3.761 -0.160 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -13.378 4.379 3.957 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -12.226 5.362 3.023 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -13.935 5.288 2.532 1.00 1.19 H new ATOM 96 N ALA A 11 -13.335 0.935 0.718 1.00 0.97 N ATOM 97 CA ALA A 11 -14.403 -0.046 0.631 1.00 1.15 C ATOM 98 C ALA A 11 -15.215 -0.086 1.921 1.00 1.15 C ATOM 99 O ALA A 11 -15.390 -1.142 2.529 1.00 1.32 O ATOM 100 CB ALA A 11 -13.825 -1.418 0.315 1.00 1.30 C ATOM 0 H ALA A 11 -12.881 0.984 1.630 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.076 0.246 -0.176 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.633 -2.147 0.252 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.296 -1.379 -0.637 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.132 -1.711 1.104 1.00 1.30 H new ATOM 106 N THR A 12 -15.708 1.077 2.332 1.00 1.10 N ATOM 107 CA THR A 12 -16.501 1.181 3.550 1.00 1.29 C ATOM 108 C THR A 12 -17.811 1.918 3.287 1.00 1.72 C ATOM 109 O THR A 12 -18.150 2.216 2.141 1.00 2.07 O ATOM 110 CB THR A 12 -15.704 1.902 4.640 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.623 2.625 4.077 1.00 1.78 O ATOM 112 CG2 THR A 12 -15.137 0.964 5.682 1.00 1.29 C ATOM 0 H THR A 12 -15.572 1.960 1.840 1.00 1.10 H new ATOM 0 HA THR A 12 -16.737 0.172 3.889 1.00 1.29 H new ATOM 0 HB THR A 12 -16.415 2.571 5.124 1.00 1.15 H new ATOM 0 HG1 THR A 12 -13.798 2.410 4.561 1.00 1.78 H new ATOM 0 HG21 THR A 12 -14.584 1.538 6.425 1.00 1.29 H new ATOM 0 HG22 THR A 12 -15.951 0.427 6.170 1.00 1.29 H new ATOM 0 HG23 THR A 12 -14.467 0.250 5.203 1.00 1.29 H new ATOM 117 N GLU A 13 -18.538 2.212 4.357 1.00 2.10 N ATOM 118 CA GLU A 13 -19.808 2.919 4.252 1.00 2.62 C ATOM 119 C GLU A 13 -19.658 4.361 4.724 1.00 2.49 C ATOM 120 O GLU A 13 -20.029 5.298 4.018 1.00 2.85 O ATOM 121 CB GLU A 13 -20.883 2.208 5.077 1.00 3.24 C ATOM 122 CG GLU A 13 -21.290 0.858 4.511 1.00 3.89 C ATOM 123 CD GLU A 13 -20.768 -0.303 5.335 1.00 4.72 C ATOM 124 OE1 GLU A 13 -19.557 -0.598 5.246 1.00 5.17 O ATOM 125 OE2 GLU A 13 -21.568 -0.916 6.073 1.00 5.27 O ATOM 0 H GLU A 13 -18.269 1.971 5.311 1.00 2.10 H new ATOM 0 HA GLU A 13 -20.112 2.924 3.205 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.517 2.071 6.094 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -21.764 2.847 5.139 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -22.377 0.803 4.461 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -20.919 0.770 3.490 1.00 3.89 H new ATOM 132 N ASN A 14 -19.104 4.529 5.920 1.00 2.26 N ATOM 133 CA ASN A 14 -18.893 5.856 6.487 1.00 2.51 C ATOM 134 C ASN A 14 -17.499 5.970 7.078 1.00 1.99 C ATOM 135 O ASN A 14 -17.052 5.096 7.821 1.00 1.78 O ATOM 136 CB ASN A 14 -19.934 6.169 7.565 1.00 3.10 C ATOM 137 CG ASN A 14 -21.248 5.439 7.348 1.00 3.79 C ATOM 138 OD1 ASN A 14 -21.453 4.341 7.863 1.00 4.30 O ATOM 139 ND2 ASN A 14 -22.144 6.048 6.581 1.00 4.18 N ATOM 0 H ASN A 14 -18.793 3.762 6.516 1.00 2.26 H new ATOM 0 HA ASN A 14 -19.000 6.579 5.679 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.531 5.899 8.541 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.120 7.243 7.583 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -23.045 5.605 6.399 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -21.932 6.959 6.174 1.00 4.18 H new ATOM 144 N ILE A 15 -16.814 7.053 6.740 1.00 2.45 N ATOM 145 CA ILE A 15 -15.466 7.286 7.229 1.00 2.24 C ATOM 146 C ILE A 15 -15.284 8.741 7.657 1.00 1.60 C ATOM 147 O ILE A 15 -15.949 9.639 7.139 1.00 1.92 O ATOM 148 CB ILE A 15 -14.426 6.916 6.142 1.00 3.00 C ATOM 149 CG1 ILE A 15 -13.775 5.573 6.468 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.365 7.998 5.991 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.756 4.423 6.535 1.00 3.61 C ATOM 0 H ILE A 15 -17.172 7.785 6.127 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.308 6.650 8.100 1.00 2.24 H new ATOM 0 HB ILE A 15 -14.952 6.834 5.191 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.020 5.352 5.713 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -13.256 5.653 7.423 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.653 7.704 5.220 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -13.841 8.937 5.707 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -12.841 8.129 6.938 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -14.222 3.502 6.771 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.497 4.621 7.310 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -15.257 4.316 5.573 1.00 3.61 H new ATOM 155 N GLU A 16 -14.371 8.967 8.597 1.00 1.45 N ATOM 156 CA GLU A 16 -14.093 10.314 9.082 1.00 1.67 C ATOM 157 C GLU A 16 -13.044 10.987 8.201 1.00 1.94 C ATOM 158 O GLU A 16 -12.015 11.457 8.688 1.00 2.67 O ATOM 159 CB GLU A 16 -13.612 10.270 10.534 1.00 2.11 C ATOM 160 CG GLU A 16 -14.673 9.797 11.514 1.00 3.11 C ATOM 161 CD GLU A 16 -15.434 10.944 12.149 1.00 3.84 C ATOM 162 OE1 GLU A 16 -14.809 11.734 12.888 1.00 4.53 O ATOM 163 OE2 GLU A 16 -16.654 11.053 11.908 1.00 4.13 O ATOM 0 H GLU A 16 -13.812 8.236 9.037 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.014 10.895 9.038 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -12.747 9.610 10.601 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -13.277 11.265 10.827 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -15.375 9.143 10.996 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -14.201 9.202 12.296 1.00 3.11 H new ATOM 170 N GLY A 17 -13.311 11.017 6.900 1.00 1.95 N ATOM 171 CA GLY A 17 -12.384 11.622 5.962 1.00 2.86 C ATOM 172 C GLY A 17 -11.975 10.659 4.864 1.00 2.74 C ATOM 173 O GLY A 17 -10.908 10.050 4.929 1.00 3.16 O ATOM 0 H GLY A 17 -14.156 10.632 6.477 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -12.843 12.505 5.517 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.496 11.960 6.497 1.00 2.86 H new ATOM 177 N LEU A 18 -12.832 10.517 3.855 1.00 2.64 N ATOM 178 CA LEU A 18 -12.562 9.616 2.737 1.00 2.63 C ATOM 179 C LEU A 18 -11.154 9.829 2.179 1.00 2.01 C ATOM 180 O LEU A 18 -10.885 10.838 1.529 1.00 2.22 O ATOM 181 CB LEU A 18 -13.595 9.829 1.626 1.00 3.46 C ATOM 182 CG LEU A 18 -14.837 8.937 1.705 1.00 3.97 C ATOM 183 CD1 LEU A 18 -14.512 7.524 1.244 1.00 4.46 C ATOM 184 CD2 LEU A 18 -15.401 8.925 3.119 1.00 4.91 C ATOM 0 H LEU A 18 -13.720 11.015 3.789 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.632 8.594 3.108 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.915 10.871 1.645 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.109 9.662 0.665 1.00 3.46 H new ATOM 0 HG LEU A 18 -15.596 9.348 1.039 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -15.407 6.906 1.308 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -14.161 7.550 0.212 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -13.734 7.103 1.881 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -16.283 8.285 3.154 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -14.648 8.542 3.808 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -15.676 9.939 3.409 1.00 4.91 H new ATOM 190 N PRO A 19 -10.231 8.878 2.423 1.00 1.58 N ATOM 191 CA PRO A 19 -8.852 8.977 1.933 1.00 1.46 C ATOM 192 C PRO A 19 -8.791 9.131 0.417 1.00 1.48 C ATOM 193 O PRO A 19 -8.827 8.146 -0.320 1.00 2.32 O ATOM 194 CB PRO A 19 -8.210 7.651 2.364 1.00 1.63 C ATOM 195 CG PRO A 19 -9.351 6.747 2.690 1.00 1.84 C ATOM 196 CD PRO A 19 -10.451 7.638 3.183 1.00 1.84 C ATOM 0 HA PRO A 19 -8.343 9.854 2.333 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.594 7.235 1.567 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.560 7.791 3.228 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.668 6.185 1.812 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.068 6.019 3.450 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.435 7.212 2.987 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -10.385 7.805 4.258 1.00 1.84 H new ATOM 204 N THR A 20 -8.703 10.375 -0.042 1.00 1.19 N ATOM 205 CA THR A 20 -8.641 10.660 -1.471 1.00 1.25 C ATOM 206 C THR A 20 -7.286 10.266 -2.052 1.00 1.21 C ATOM 207 O THR A 20 -6.239 10.606 -1.500 1.00 1.19 O ATOM 208 CB THR A 20 -8.906 12.144 -1.728 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.879 12.942 -1.168 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.223 12.623 -1.155 1.00 2.03 C ATOM 0 H THR A 20 -8.673 11.202 0.555 1.00 1.19 H new ATOM 0 HA THR A 20 -9.411 10.068 -1.965 1.00 1.25 H new ATOM 0 HB THR A 20 -8.939 12.248 -2.813 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.232 13.438 -0.400 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.350 13.684 -1.372 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.041 12.060 -1.604 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.227 12.470 -0.076 1.00 2.03 H new ATOM 215 N GLU A 21 -7.316 9.546 -3.168 1.00 1.30 N ATOM 216 CA GLU A 21 -6.093 9.102 -3.829 1.00 1.28 C ATOM 217 C GLU A 21 -5.240 10.288 -4.266 1.00 1.19 C ATOM 218 O GLU A 21 -4.032 10.306 -4.045 1.00 1.10 O ATOM 219 CB GLU A 21 -6.432 8.226 -5.038 1.00 1.44 C ATOM 220 CG GLU A 21 -7.472 8.836 -5.965 1.00 1.56 C ATOM 221 CD GLU A 21 -8.532 7.838 -6.390 1.00 1.94 C ATOM 222 OE1 GLU A 21 -8.161 6.723 -6.813 1.00 2.04 O ATOM 223 OE2 GLU A 21 -9.731 8.171 -6.298 1.00 2.54 O ATOM 0 H GLU A 21 -8.175 9.257 -3.635 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.518 8.516 -3.112 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.520 8.036 -5.605 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.795 7.261 -4.685 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.951 9.678 -5.464 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -6.976 9.233 -6.851 1.00 1.56 H new ATOM 230 N GLU A 22 -5.873 11.279 -4.885 1.00 1.24 N ATOM 231 CA GLU A 22 -5.158 12.465 -5.348 1.00 1.18 C ATOM 232 C GLU A 22 -4.268 13.035 -4.247 1.00 1.05 C ATOM 233 O GLU A 22 -3.065 13.213 -4.437 1.00 0.99 O ATOM 234 CB GLU A 22 -6.149 13.529 -5.823 1.00 1.26 C ATOM 235 CG GLU A 22 -5.685 14.287 -7.056 1.00 1.93 C ATOM 236 CD GLU A 22 -6.698 15.313 -7.525 1.00 2.47 C ATOM 237 OE1 GLU A 22 -6.657 16.458 -7.028 1.00 3.23 O ATOM 238 OE2 GLU A 22 -7.531 14.971 -8.390 1.00 2.76 O ATOM 0 H GLU A 22 -6.875 11.286 -5.077 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.522 12.170 -6.183 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -7.105 13.052 -6.039 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -6.322 14.239 -5.014 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -4.742 14.787 -6.837 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.491 13.579 -7.862 1.00 1.93 H new ATOM 245 N GLN A 23 -4.868 13.310 -3.092 1.00 1.02 N ATOM 246 CA GLN A 23 -4.129 13.856 -1.959 1.00 0.93 C ATOM 247 C GLN A 23 -3.027 12.899 -1.513 1.00 0.82 C ATOM 248 O GLN A 23 -1.843 13.219 -1.600 1.00 0.77 O ATOM 249 CB GLN A 23 -5.078 14.138 -0.793 1.00 0.99 C ATOM 250 CG GLN A 23 -5.942 15.371 -0.996 1.00 0.97 C ATOM 251 CD GLN A 23 -5.297 16.631 -0.453 1.00 1.14 C ATOM 252 OE1 GLN A 23 -5.156 17.626 -1.164 1.00 2.08 O ATOM 253 NE2 GLN A 23 -4.900 16.594 0.814 1.00 1.09 N ATOM 0 H GLN A 23 -5.862 13.164 -2.917 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.666 14.790 -2.277 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.724 13.273 -0.644 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.493 14.260 0.119 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -6.142 15.499 -2.060 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -6.904 15.220 -0.507 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -5.037 15.748 1.367 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -4.458 17.412 1.234 1.00 1.09 H new ATOM 260 N ILE A 24 -3.429 11.725 -1.037 1.00 0.83 N ATOM 261 CA ILE A 24 -2.479 10.715 -0.576 1.00 0.74 C ATOM 262 C ILE A 24 -1.412 10.436 -1.633 1.00 0.69 C ATOM 263 O ILE A 24 -0.223 10.681 -1.415 1.00 0.67 O ATOM 264 CB ILE A 24 -3.193 9.394 -0.223 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.292 9.641 0.813 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.194 8.368 0.295 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.032 8.386 1.223 1.00 1.43 C ATOM 0 H ILE A 24 -4.408 11.448 -0.960 1.00 0.83 H new ATOM 0 HA ILE A 24 -2.002 11.115 0.319 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.653 8.999 -1.129 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.849 10.097 1.698 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -5.006 10.358 0.409 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.716 7.443 0.539 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.445 8.171 -0.472 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.705 8.755 1.189 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -5.796 8.638 1.959 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.505 7.940 0.348 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -4.329 7.675 1.658 1.00 1.43 H new ATOM 271 N VAL A 25 -1.850 9.921 -2.777 1.00 0.77 N ATOM 272 CA VAL A 25 -0.949 9.599 -3.877 1.00 0.77 C ATOM 273 C VAL A 25 -0.017 10.766 -4.200 1.00 0.74 C ATOM 274 O VAL A 25 1.203 10.604 -4.226 1.00 0.73 O ATOM 275 CB VAL A 25 -1.738 9.212 -5.143 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.794 8.835 -6.275 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.701 8.071 -4.843 1.00 1.45 C ATOM 0 H VAL A 25 -2.831 9.717 -2.967 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.347 8.750 -3.555 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.319 10.078 -5.462 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.374 8.566 -7.158 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.150 9.682 -6.509 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.181 7.986 -5.971 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.250 7.811 -5.748 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.140 7.203 -4.496 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.403 8.382 -4.069 1.00 1.45 H new ATOM 281 N GLN A 26 -0.594 11.939 -4.445 1.00 0.76 N ATOM 282 CA GLN A 26 0.202 13.119 -4.764 1.00 0.77 C ATOM 283 C GLN A 26 1.151 13.460 -3.620 1.00 0.72 C ATOM 284 O GLN A 26 2.350 13.633 -3.825 1.00 0.71 O ATOM 285 CB GLN A 26 -0.703 14.315 -5.064 1.00 0.85 C ATOM 286 CG GLN A 26 0.056 15.559 -5.497 1.00 0.94 C ATOM 287 CD GLN A 26 -0.573 16.237 -6.699 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.424 17.114 -6.557 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.155 15.832 -7.893 1.00 2.19 N ATOM 0 H GLN A 26 -1.602 12.097 -4.429 1.00 0.76 H new ATOM 0 HA GLN A 26 0.793 12.893 -5.651 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.408 14.039 -5.848 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -1.289 14.548 -4.175 1.00 0.85 H new ATOM 0 HG2 GLN A 26 0.095 16.264 -4.666 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.085 15.288 -5.734 1.00 0.94 H new ATOM 0 HE21 GLN A 26 0.553 15.101 -7.965 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -0.542 16.252 -8.738 1.00 2.19 H new ATOM 296 N TRP A 27 0.610 13.559 -2.413 1.00 0.74 N ATOM 297 CA TRP A 27 1.419 13.884 -1.244 1.00 0.76 C ATOM 298 C TRP A 27 2.616 12.938 -1.124 1.00 0.69 C ATOM 299 O TRP A 27 3.769 13.369 -1.176 1.00 0.67 O ATOM 300 CB TRP A 27 0.552 13.827 0.022 1.00 0.92 C ATOM 301 CG TRP A 27 1.306 13.474 1.271 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.260 12.288 1.946 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.215 14.313 1.993 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.085 12.338 3.042 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.683 13.569 3.093 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.680 15.619 1.816 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.590 14.089 4.011 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.582 16.133 2.729 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.029 15.368 3.814 1.00 0.87 C ATOM 0 H TRP A 27 -0.381 13.420 -2.217 1.00 0.74 H new ATOM 0 HA TRP A 27 1.808 14.896 -1.361 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.071 14.795 0.163 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.242 13.096 -0.128 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.662 11.435 1.660 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.229 11.581 3.710 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.341 16.215 0.982 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.935 13.502 4.850 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.948 17.141 2.604 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.735 15.798 4.509 1.00 0.87 H new ATOM 320 N ALA A 28 2.338 11.648 -0.965 1.00 0.70 N ATOM 321 CA ALA A 28 3.398 10.657 -0.830 1.00 0.72 C ATOM 322 C ALA A 28 4.047 10.338 -2.173 1.00 0.68 C ATOM 323 O ALA A 28 5.159 10.787 -2.460 1.00 0.73 O ATOM 324 CB ALA A 28 2.860 9.390 -0.185 1.00 0.78 C ATOM 0 H ALA A 28 1.393 11.266 -0.927 1.00 0.70 H new ATOM 0 HA ALA A 28 4.168 11.083 -0.186 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.664 8.660 -0.091 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.465 9.624 0.804 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.064 8.976 -0.804 1.00 0.78 H new ATOM 330 N THR A 29 3.355 9.551 -2.990 1.00 0.63 N ATOM 331 CA THR A 29 3.874 9.160 -4.298 1.00 0.67 C ATOM 332 C THR A 29 4.344 10.369 -5.105 1.00 0.64 C ATOM 333 O THR A 29 5.356 10.302 -5.804 1.00 0.72 O ATOM 334 CB THR A 29 2.819 8.383 -5.084 1.00 0.69 C ATOM 335 OG1 THR A 29 1.686 8.114 -4.278 1.00 1.02 O ATOM 336 CG2 THR A 29 3.337 7.063 -5.610 1.00 0.74 C ATOM 0 H THR A 29 2.434 9.171 -2.771 1.00 0.63 H new ATOM 0 HA THR A 29 4.737 8.516 -4.126 1.00 0.67 H new ATOM 0 HB THR A 29 2.552 9.019 -5.928 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.887 7.374 -3.668 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.545 6.554 -6.160 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.182 7.243 -6.274 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.657 6.439 -4.775 1.00 0.74 H new ATOM 341 N GLY A 30 3.614 11.474 -5.011 1.00 0.60 N ATOM 342 CA GLY A 30 3.998 12.664 -5.746 1.00 0.64 C ATOM 343 C GLY A 30 5.380 13.150 -5.358 1.00 0.66 C ATOM 344 O GLY A 30 6.168 13.552 -6.214 1.00 0.72 O ATOM 0 H GLY A 30 2.771 11.567 -4.445 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.975 12.453 -6.815 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.271 13.455 -5.561 1.00 0.64 H new ATOM 348 N ALA A 31 5.677 13.108 -4.062 1.00 0.65 N ATOM 349 CA ALA A 31 6.974 13.545 -3.563 1.00 0.73 C ATOM 350 C ALA A 31 8.103 12.661 -4.093 1.00 0.75 C ATOM 351 O ALA A 31 9.250 13.099 -4.187 1.00 0.83 O ATOM 352 CB ALA A 31 6.977 13.550 -2.042 1.00 0.82 C ATOM 0 H ALA A 31 5.037 12.776 -3.341 1.00 0.65 H new ATOM 0 HA ALA A 31 7.148 14.559 -3.923 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.952 13.878 -1.681 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.207 14.231 -1.679 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.774 12.544 -1.674 1.00 0.82 H new ATOM 358 N VAL A 32 7.778 11.414 -4.433 1.00 0.76 N ATOM 359 CA VAL A 32 8.779 10.479 -4.944 1.00 0.87 C ATOM 360 C VAL A 32 8.830 10.467 -6.473 1.00 0.91 C ATOM 361 O VAL A 32 9.673 9.793 -7.065 1.00 1.03 O ATOM 362 CB VAL A 32 8.532 9.045 -4.429 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.117 8.598 -4.742 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.546 8.072 -5.019 1.00 1.23 C ATOM 0 H VAL A 32 6.836 11.030 -4.364 1.00 0.76 H new ATOM 0 HA VAL A 32 9.740 10.831 -4.569 1.00 0.87 H new ATOM 0 HB VAL A 32 8.658 9.050 -3.346 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.965 7.585 -4.370 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.408 9.271 -4.261 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.960 8.616 -5.820 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.350 7.069 -4.641 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.461 8.073 -6.106 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.552 8.378 -4.733 1.00 1.23 H new ATOM 368 N GLN A 33 7.937 11.215 -7.119 1.00 0.90 N ATOM 369 CA GLN A 33 7.916 11.266 -8.578 1.00 1.04 C ATOM 370 C GLN A 33 8.179 12.681 -9.106 1.00 1.07 C ATOM 371 O GLN A 33 7.507 13.135 -10.031 1.00 1.22 O ATOM 372 CB GLN A 33 6.575 10.751 -9.109 1.00 1.22 C ATOM 373 CG GLN A 33 5.405 11.672 -8.809 1.00 1.37 C ATOM 374 CD GLN A 33 4.079 10.937 -8.777 1.00 1.19 C ATOM 375 OE1 GLN A 33 3.130 11.313 -9.465 1.00 1.67 O ATOM 376 NE2 GLN A 33 4.005 9.883 -7.973 1.00 1.88 N ATOM 0 H GLN A 33 7.227 11.787 -6.661 1.00 0.90 H new ATOM 0 HA GLN A 33 8.720 10.623 -8.937 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.650 10.613 -10.188 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.375 9.771 -8.676 1.00 1.22 H new ATOM 0 HG2 GLN A 33 5.569 12.161 -7.849 1.00 1.37 H new ATOM 0 HG3 GLN A 33 5.363 12.458 -9.563 1.00 1.37 H new ATOM 0 HE21 GLN A 33 4.816 9.606 -7.420 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.137 9.351 -7.908 1.00 1.88 H new ATOM 383 N PRO A 34 9.168 13.402 -8.537 1.00 1.04 N ATOM 384 CA PRO A 34 9.503 14.758 -8.977 1.00 1.23 C ATOM 385 C PRO A 34 10.316 14.756 -10.267 1.00 1.50 C ATOM 386 O PRO A 34 10.108 15.593 -11.146 1.00 1.84 O ATOM 387 CB PRO A 34 10.343 15.296 -7.822 1.00 1.29 C ATOM 388 CG PRO A 34 11.020 14.091 -7.273 1.00 1.15 C ATOM 389 CD PRO A 34 10.041 12.958 -7.431 1.00 0.96 C ATOM 0 HA PRO A 34 8.617 15.354 -9.196 1.00 1.23 H new ATOM 0 HB2 PRO A 34 11.065 16.037 -8.166 1.00 1.29 H new ATOM 0 HB3 PRO A 34 9.722 15.782 -7.070 1.00 1.29 H new ATOM 0 HG2 PRO A 34 11.946 13.885 -7.810 1.00 1.15 H new ATOM 0 HG3 PRO A 34 11.285 14.235 -6.225 1.00 1.15 H new ATOM 0 HD2 PRO A 34 10.546 12.022 -7.671 1.00 0.96 H new ATOM 0 HD3 PRO A 34 9.473 12.789 -6.516 1.00 0.96 H new ATOM 397 N GLU A 35 11.244 13.809 -10.369 1.00 1.43 N ATOM 398 CA GLU A 35 12.095 13.692 -11.549 1.00 1.69 C ATOM 399 C GLU A 35 11.570 12.614 -12.493 1.00 1.95 C ATOM 400 O GLU A 35 11.292 12.881 -13.662 1.00 2.55 O ATOM 401 CB GLU A 35 13.532 13.369 -11.132 1.00 1.58 C ATOM 402 CG GLU A 35 14.572 14.266 -11.782 1.00 2.20 C ATOM 403 CD GLU A 35 15.755 14.537 -10.875 1.00 2.95 C ATOM 404 OE1 GLU A 35 16.334 13.566 -10.345 1.00 3.53 O ATOM 405 OE2 GLU A 35 16.104 15.724 -10.692 1.00 3.47 O ATOM 0 H GLU A 35 11.426 13.111 -9.648 1.00 1.43 H new ATOM 0 HA GLU A 35 12.082 14.646 -12.076 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.615 13.457 -10.049 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.750 12.332 -11.385 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.924 13.801 -12.703 1.00 2.20 H new ATOM 0 HG3 GLU A 35 14.108 15.212 -12.060 1.00 2.20 H new ATOM 412 N GLY A 36 11.438 11.396 -11.978 1.00 1.77 N ATOM 413 CA GLY A 36 10.948 10.297 -12.789 1.00 2.19 C ATOM 414 C GLY A 36 11.198 8.944 -12.151 1.00 1.74 C ATOM 415 O GLY A 36 12.325 8.630 -11.766 1.00 1.77 O ATOM 0 H GLY A 36 11.662 11.150 -11.014 1.00 1.77 H new ATOM 0 HA2 GLY A 36 9.878 10.423 -12.957 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.430 10.328 -13.766 1.00 2.19 H new ATOM 419 N ASN A 37 10.145 8.140 -12.044 1.00 2.06 N ATOM 420 CA ASN A 37 10.253 6.810 -11.452 1.00 2.08 C ATOM 421 C ASN A 37 9.487 5.784 -12.281 1.00 1.73 C ATOM 422 O ASN A 37 8.899 6.119 -13.310 1.00 1.94 O ATOM 423 CB ASN A 37 9.722 6.823 -10.017 1.00 3.12 C ATOM 424 CG ASN A 37 10.670 7.511 -9.055 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.082 8.649 -9.279 1.00 4.50 O ATOM 426 ND2 ASN A 37 11.022 6.823 -7.976 1.00 4.34 N ATOM 0 H ASN A 37 9.207 8.386 -12.359 1.00 2.06 H new ATOM 0 HA ASN A 37 11.306 6.528 -11.439 1.00 2.08 H new ATOM 0 HB2 ASN A 37 8.756 7.328 -9.995 1.00 3.12 H new ATOM 0 HB3 ASN A 37 9.553 5.798 -9.686 1.00 3.12 H new ATOM 0 HD21 ASN A 37 11.658 7.235 -7.293 1.00 4.34 H new ATOM 0 HD22 ASN A 37 10.657 5.882 -7.829 1.00 4.34 H new ATOM 431 N GLU A 38 9.499 4.534 -11.830 1.00 1.77 N ATOM 432 CA GLU A 38 8.804 3.462 -12.534 1.00 1.76 C ATOM 433 C GLU A 38 8.319 2.392 -11.559 1.00 1.90 C ATOM 434 O GLU A 38 9.122 1.685 -10.953 1.00 2.28 O ATOM 435 CB GLU A 38 9.724 2.836 -13.585 1.00 2.18 C ATOM 436 CG GLU A 38 9.531 3.409 -14.979 1.00 2.12 C ATOM 437 CD GLU A 38 10.066 2.496 -16.065 1.00 2.42 C ATOM 438 OE1 GLU A 38 9.868 1.267 -15.957 1.00 2.81 O ATOM 439 OE2 GLU A 38 10.684 3.009 -17.021 1.00 2.88 O ATOM 0 H GLU A 38 9.982 4.238 -10.981 1.00 1.77 H new ATOM 0 HA GLU A 38 7.934 3.891 -13.031 1.00 1.76 H new ATOM 0 HB2 GLU A 38 10.761 2.981 -13.282 1.00 2.18 H new ATOM 0 HB3 GLU A 38 9.549 1.761 -13.615 1.00 2.18 H new ATOM 0 HG2 GLU A 38 8.470 3.588 -15.150 1.00 2.12 H new ATOM 0 HG3 GLU A 38 10.031 4.375 -15.043 1.00 2.12 H new ATOM 446 N VAL A 39 7.000 2.280 -11.415 1.00 1.79 N ATOM 447 CA VAL A 39 6.408 1.295 -10.514 1.00 2.04 C ATOM 448 C VAL A 39 4.884 1.373 -10.535 1.00 1.58 C ATOM 449 O VAL A 39 4.308 2.364 -10.984 1.00 1.86 O ATOM 450 CB VAL A 39 6.896 1.476 -9.058 1.00 2.80 C ATOM 451 CG1 VAL A 39 8.045 0.527 -8.755 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.302 2.919 -8.792 1.00 3.20 C ATOM 0 H VAL A 39 6.322 2.859 -11.910 1.00 1.79 H new ATOM 0 HA VAL A 39 6.730 0.318 -10.874 1.00 2.04 H new ATOM 0 HB VAL A 39 6.068 1.234 -8.392 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.374 0.670 -7.726 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.712 -0.502 -8.890 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.874 0.732 -9.432 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.641 3.017 -7.761 1.00 3.20 H new ATOM 0 HG22 VAL A 39 8.110 3.200 -9.468 1.00 3.20 H new ATOM 0 HG23 VAL A 39 6.446 3.574 -8.957 1.00 3.20 H new ATOM 456 N GLU A 40 4.239 0.321 -10.040 1.00 1.19 N ATOM 457 CA GLU A 40 2.781 0.262 -9.994 1.00 0.87 C ATOM 458 C GLU A 40 2.311 -0.305 -8.658 1.00 0.72 C ATOM 459 O GLU A 40 2.674 -1.420 -8.284 1.00 0.71 O ATOM 460 CB GLU A 40 2.249 -0.595 -11.143 1.00 0.85 C ATOM 461 CG GLU A 40 0.733 -0.627 -11.228 1.00 0.98 C ATOM 462 CD GLU A 40 0.232 -1.437 -12.408 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.272 -2.683 -12.330 1.00 2.29 O ATOM 464 OE2 GLU A 40 -0.199 -0.827 -13.408 1.00 2.10 O ATOM 0 H GLU A 40 4.704 -0.505 -9.664 1.00 1.19 H new ATOM 0 HA GLU A 40 2.392 1.275 -10.099 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.649 -0.216 -12.083 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.619 -1.614 -11.027 1.00 0.85 H new ATOM 0 HG2 GLU A 40 0.330 -1.047 -10.306 1.00 0.98 H new ATOM 0 HG3 GLU A 40 0.356 0.393 -11.305 1.00 0.98 H new ATOM 471 N MET A 41 1.507 0.472 -7.933 1.00 0.77 N ATOM 472 CA MET A 41 1.002 0.038 -6.633 1.00 0.73 C ATOM 473 C MET A 41 -0.524 0.087 -6.578 1.00 0.68 C ATOM 474 O MET A 41 -1.151 0.991 -7.134 1.00 0.72 O ATOM 475 CB MET A 41 1.582 0.905 -5.507 1.00 0.88 C ATOM 476 CG MET A 41 2.911 1.568 -5.846 1.00 1.06 C ATOM 477 SD MET A 41 3.338 2.887 -4.690 1.00 1.42 S ATOM 478 CE MET A 41 5.097 2.612 -4.488 1.00 1.11 C ATOM 0 H MET A 41 1.194 1.399 -8.222 1.00 0.77 H new ATOM 0 HA MET A 41 1.320 -0.995 -6.494 1.00 0.73 H new ATOM 0 HB2 MET A 41 0.858 1.679 -5.251 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.714 0.286 -4.619 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.700 0.816 -5.842 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.863 1.975 -6.856 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.582 3.548 -4.211 1.00 1.11 H new ATOM 0 HE2 MET A 41 5.262 1.872 -3.705 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.518 2.249 -5.425 1.00 1.11 H new ATOM 488 N THR A 42 -1.110 -0.886 -5.889 1.00 0.81 N ATOM 489 CA THR A 42 -2.559 -0.959 -5.737 1.00 0.79 C ATOM 490 C THR A 42 -2.929 -1.060 -4.260 1.00 0.77 C ATOM 491 O THR A 42 -2.396 -1.897 -3.533 1.00 1.11 O ATOM 492 CB THR A 42 -3.123 -2.158 -6.508 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.079 -2.925 -7.082 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.064 -1.759 -7.624 1.00 1.61 C ATOM 0 H THR A 42 -0.601 -1.638 -5.425 1.00 0.81 H new ATOM 0 HA THR A 42 -2.996 -0.049 -6.148 1.00 0.79 H new ATOM 0 HB THR A 42 -3.679 -2.739 -5.772 1.00 0.95 H new ATOM 0 HG1 THR A 42 -1.240 -2.741 -6.610 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.428 -2.653 -8.130 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.908 -1.208 -7.209 1.00 1.61 H new ATOM 0 HG23 THR A 42 -3.535 -1.128 -8.338 1.00 1.61 H new ATOM 499 N VAL A 43 -3.833 -0.191 -3.819 1.00 0.65 N ATOM 500 CA VAL A 43 -4.257 -0.176 -2.421 1.00 0.64 C ATOM 501 C VAL A 43 -5.777 -0.231 -2.290 1.00 0.58 C ATOM 502 O VAL A 43 -6.502 0.498 -2.971 1.00 0.71 O ATOM 503 CB VAL A 43 -3.738 1.077 -1.691 1.00 0.75 C ATOM 504 CG1 VAL A 43 -4.028 0.986 -0.201 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.250 1.267 -1.940 1.00 1.51 C ATOM 0 H VAL A 43 -4.285 0.510 -4.406 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.829 -1.066 -1.960 1.00 0.64 H new ATOM 0 HB VAL A 43 -4.262 1.946 -2.088 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.654 1.880 0.298 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -5.104 0.906 -0.044 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.534 0.107 0.213 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.904 2.158 -1.415 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.706 0.396 -1.574 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -2.072 1.384 -3.009 1.00 1.51 H new ATOM 509 N ARG A 44 -6.250 -1.097 -1.397 1.00 0.55 N ATOM 510 CA ARG A 44 -7.680 -1.253 -1.159 1.00 0.54 C ATOM 511 C ARG A 44 -7.986 -1.254 0.338 1.00 0.57 C ATOM 512 O ARG A 44 -7.412 -2.036 1.099 1.00 0.69 O ATOM 513 CB ARG A 44 -8.183 -2.551 -1.797 1.00 0.61 C ATOM 514 CG ARG A 44 -9.403 -2.363 -2.684 1.00 1.19 C ATOM 515 CD ARG A 44 -10.617 -1.925 -1.882 1.00 1.98 C ATOM 516 NE ARG A 44 -11.713 -2.886 -1.979 1.00 2.48 N ATOM 517 CZ ARG A 44 -12.437 -3.078 -3.080 1.00 3.13 C ATOM 518 NH1 ARG A 44 -12.183 -2.377 -4.179 1.00 3.54 N ATOM 519 NH2 ARG A 44 -13.416 -3.972 -3.083 1.00 3.77 N ATOM 0 H ARG A 44 -5.661 -1.702 -0.825 1.00 0.55 H new ATOM 0 HA ARG A 44 -8.195 -0.408 -1.615 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.379 -2.990 -2.388 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.425 -3.263 -1.008 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.185 -1.619 -3.450 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.625 -3.297 -3.200 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -10.335 -1.801 -0.836 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.955 -0.952 -2.239 1.00 1.98 H new ATOM 0 HE ARG A 44 -11.937 -3.443 -1.154 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.431 -1.688 -4.182 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.740 -2.527 -5.020 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -13.615 -4.513 -2.242 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -13.970 -4.119 -3.927 1.00 3.77 H new ATOM 533 N ILE A 45 -8.894 -0.376 0.755 1.00 0.55 N ATOM 534 CA ILE A 45 -9.274 -0.286 2.161 1.00 0.61 C ATOM 535 C ILE A 45 -10.654 -0.886 2.392 1.00 0.59 C ATOM 536 O ILE A 45 -11.667 -0.247 2.120 1.00 0.60 O ATOM 537 CB ILE A 45 -9.287 1.171 2.667 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.202 2.001 1.981 1.00 0.59 C ATOM 539 CG2 ILE A 45 -9.105 1.202 4.175 1.00 0.94 C ATOM 540 CD1 ILE A 45 -6.801 1.473 2.201 1.00 0.63 C ATOM 0 H ILE A 45 -9.378 0.280 0.142 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.523 -0.847 2.716 1.00 0.61 H new ATOM 0 HB ILE A 45 -10.253 1.610 2.418 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.404 2.033 0.910 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.256 3.026 2.347 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -9.116 2.235 4.522 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -9.916 0.651 4.651 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -8.152 0.742 4.436 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -6.086 2.113 1.685 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.578 1.467 3.268 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.729 0.458 1.809 1.00 0.63 H new ATOM 544 N VAL A 46 -10.693 -2.112 2.899 1.00 0.63 N ATOM 545 CA VAL A 46 -11.960 -2.783 3.162 1.00 0.63 C ATOM 546 C VAL A 46 -11.995 -3.368 4.572 1.00 0.64 C ATOM 547 O VAL A 46 -10.976 -3.823 5.092 1.00 0.68 O ATOM 548 CB VAL A 46 -12.226 -3.897 2.131 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.127 -4.947 2.177 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.594 -4.526 2.358 1.00 1.52 C ATOM 0 H VAL A 46 -9.866 -2.660 3.135 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.744 -2.031 3.076 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.222 -3.451 1.137 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.335 -5.724 1.441 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.168 -4.480 1.951 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.089 -5.391 3.172 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.761 -5.310 1.619 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.635 -4.956 3.359 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.366 -3.763 2.259 1.00 1.52 H new ATOM 554 N ASP A 47 -13.176 -3.342 5.186 1.00 0.66 N ATOM 555 CA ASP A 47 -13.357 -3.858 6.541 1.00 0.71 C ATOM 556 C ASP A 47 -12.731 -5.240 6.706 1.00 0.74 C ATOM 557 O ASP A 47 -12.270 -5.846 5.740 1.00 0.81 O ATOM 558 CB ASP A 47 -14.846 -3.919 6.888 1.00 0.75 C ATOM 559 CG ASP A 47 -15.455 -2.543 7.065 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.045 -1.829 8.004 1.00 1.88 O ATOM 561 OD2 ASP A 47 -16.344 -2.179 6.267 1.00 2.11 O ATOM 0 H ASP A 47 -14.026 -2.967 4.764 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.851 -3.175 7.224 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.379 -4.450 6.099 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.979 -4.493 7.805 1.00 0.75 H new ATOM 566 N GLU A 48 -12.720 -5.729 7.942 1.00 0.76 N ATOM 567 CA GLU A 48 -12.152 -7.036 8.248 1.00 0.82 C ATOM 568 C GLU A 48 -12.972 -8.155 7.611 1.00 0.79 C ATOM 569 O GLU A 48 -12.501 -8.846 6.707 1.00 0.83 O ATOM 570 CB GLU A 48 -12.083 -7.240 9.763 1.00 0.92 C ATOM 571 CG GLU A 48 -10.841 -7.986 10.222 1.00 1.39 C ATOM 572 CD GLU A 48 -10.457 -7.655 11.652 1.00 1.59 C ATOM 573 OE1 GLU A 48 -9.766 -6.636 11.861 1.00 1.81 O ATOM 574 OE2 GLU A 48 -10.849 -8.414 12.563 1.00 2.30 O ATOM 0 H GLU A 48 -13.100 -5.237 8.751 1.00 0.76 H new ATOM 0 HA GLU A 48 -11.145 -7.071 7.833 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -12.114 -6.267 10.254 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -12.967 -7.789 10.088 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -11.013 -9.059 10.135 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -10.010 -7.742 9.561 1.00 1.39 H new ATOM 581 N ALA A 49 -14.200 -8.329 8.090 1.00 0.86 N ATOM 582 CA ALA A 49 -15.087 -9.366 7.570 1.00 0.89 C ATOM 583 C ALA A 49 -15.231 -9.266 6.056 1.00 0.83 C ATOM 584 O ALA A 49 -15.117 -10.262 5.343 1.00 0.80 O ATOM 585 CB ALA A 49 -16.451 -9.274 8.237 1.00 0.99 C ATOM 0 H ALA A 49 -14.604 -7.765 8.838 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.643 -10.334 7.800 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -17.103 -10.052 7.841 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.340 -9.407 9.313 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.889 -8.296 8.036 1.00 0.99 H new ATOM 591 N GLU A 50 -15.479 -8.054 5.575 1.00 0.87 N ATOM 592 CA GLU A 50 -15.639 -7.817 4.145 1.00 0.88 C ATOM 593 C GLU A 50 -14.389 -8.242 3.379 1.00 0.84 C ATOM 594 O GLU A 50 -14.478 -8.820 2.296 1.00 0.85 O ATOM 595 CB GLU A 50 -15.934 -6.339 3.883 1.00 0.98 C ATOM 596 CG GLU A 50 -16.442 -6.059 2.478 1.00 1.52 C ATOM 597 CD GLU A 50 -17.104 -4.701 2.357 1.00 1.54 C ATOM 598 OE1 GLU A 50 -18.315 -4.603 2.642 1.00 1.85 O ATOM 599 OE2 GLU A 50 -16.410 -3.734 1.977 1.00 2.17 O ATOM 0 H GLU A 50 -15.574 -7.220 6.154 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.479 -8.417 3.794 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -16.674 -5.992 4.604 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.026 -5.760 4.054 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.610 -6.117 1.777 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -17.154 -6.833 2.192 1.00 1.52 H new ATOM 606 N SER A 51 -13.226 -7.956 3.954 1.00 0.87 N ATOM 607 CA SER A 51 -11.957 -8.310 3.329 1.00 0.92 C ATOM 608 C SER A 51 -11.726 -9.814 3.397 1.00 0.84 C ATOM 609 O SER A 51 -11.627 -10.488 2.369 1.00 0.83 O ATOM 610 CB SER A 51 -10.804 -7.579 4.019 1.00 1.04 C ATOM 611 OG SER A 51 -9.582 -7.785 3.330 1.00 1.90 O ATOM 0 H SER A 51 -13.136 -7.480 4.852 1.00 0.87 H new ATOM 0 HA SER A 51 -11.997 -8.008 2.282 1.00 0.92 H new ATOM 0 HB2 SER A 51 -11.023 -6.512 4.066 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.709 -7.931 5.046 1.00 1.04 H new ATOM 0 HG SER A 51 -8.868 -7.280 3.772 1.00 1.90 H new ATOM 617 N HIS A 52 -11.643 -10.329 4.619 1.00 0.86 N ATOM 618 CA HIS A 52 -11.423 -11.753 4.844 1.00 0.86 C ATOM 619 C HIS A 52 -12.461 -12.588 4.110 1.00 0.83 C ATOM 620 O HIS A 52 -12.198 -13.729 3.734 1.00 0.90 O ATOM 621 CB HIS A 52 -11.454 -12.053 6.339 1.00 0.94 C ATOM 622 CG HIS A 52 -10.526 -11.178 7.117 1.00 0.99 C ATOM 623 ND1 HIS A 52 -9.379 -10.641 6.575 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.578 -10.741 8.396 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.763 -9.914 7.486 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.469 -9.955 8.602 1.00 1.39 N ATOM 0 H HIS A 52 -11.725 -9.778 5.473 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.442 -12.018 4.449 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.470 -11.922 6.712 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.187 -13.097 6.503 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -9.057 -10.784 5.618 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -11.347 -10.967 9.120 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.837 -9.376 7.344 1.00 1.28 H new ATOM 635 N GLU A 53 -13.632 -12.008 3.886 1.00 0.86 N ATOM 636 CA GLU A 53 -14.694 -12.696 3.168 1.00 0.95 C ATOM 637 C GLU A 53 -14.498 -12.506 1.670 1.00 0.94 C ATOM 638 O GLU A 53 -14.738 -13.414 0.876 1.00 0.95 O ATOM 639 CB GLU A 53 -16.063 -12.163 3.595 1.00 1.10 C ATOM 640 CG GLU A 53 -17.225 -12.825 2.874 1.00 1.68 C ATOM 641 CD GLU A 53 -17.619 -14.149 3.499 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.408 -14.137 4.467 1.00 2.71 O ATOM 643 OE2 GLU A 53 -17.139 -15.198 3.020 1.00 3.10 O ATOM 0 H GLU A 53 -13.870 -11.064 4.191 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.653 -13.759 3.405 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -16.182 -12.309 4.669 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.098 -11.089 3.414 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -18.083 -12.153 2.882 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.956 -12.986 1.830 1.00 1.68 H new ATOM 650 N LEU A 54 -14.045 -11.311 1.300 1.00 0.95 N ATOM 651 CA LEU A 54 -13.795 -10.973 -0.094 1.00 1.00 C ATOM 652 C LEU A 54 -12.708 -11.867 -0.685 1.00 0.89 C ATOM 653 O LEU A 54 -12.932 -12.572 -1.670 1.00 0.93 O ATOM 654 CB LEU A 54 -13.385 -9.496 -0.199 1.00 1.06 C ATOM 655 CG LEU A 54 -12.696 -9.076 -1.504 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.219 -9.435 -1.474 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.379 -9.713 -2.706 1.00 1.24 C ATOM 0 H LEU A 54 -13.843 -10.556 1.955 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.710 -11.136 -0.663 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.277 -8.883 -0.070 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.717 -9.266 0.631 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.782 -7.993 -1.598 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.751 -9.128 -2.409 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.737 -8.923 -0.642 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.109 -10.512 -1.350 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.873 -9.401 -3.620 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.332 -10.798 -2.618 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.421 -9.397 -2.742 1.00 1.24 H new ATOM 663 N ASN A 55 -11.526 -11.824 -0.080 1.00 0.78 N ATOM 664 CA ASN A 55 -10.399 -12.619 -0.550 1.00 0.71 C ATOM 665 C ASN A 55 -10.733 -14.109 -0.545 1.00 0.69 C ATOM 666 O ASN A 55 -10.502 -14.810 -1.530 1.00 0.74 O ATOM 667 CB ASN A 55 -9.169 -12.354 0.319 1.00 0.68 C ATOM 668 CG ASN A 55 -9.465 -12.505 1.798 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.614 -12.693 2.187 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.434 -12.425 2.634 1.00 1.42 N ATOM 0 H ASN A 55 -11.324 -11.247 0.737 1.00 0.78 H new ATOM 0 HA ASN A 55 -10.183 -12.324 -1.577 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.373 -13.044 0.038 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.801 -11.346 0.126 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.583 -12.521 3.638 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.494 -12.268 2.271 1.00 1.42 H new ATOM 675 N LEU A 56 -11.266 -14.588 0.573 1.00 0.71 N ATOM 676 CA LEU A 56 -11.615 -15.998 0.707 1.00 0.79 C ATOM 677 C LEU A 56 -12.688 -16.421 -0.292 1.00 0.87 C ATOM 678 O LEU A 56 -12.517 -17.397 -1.023 1.00 0.97 O ATOM 679 CB LEU A 56 -12.095 -16.299 2.128 1.00 0.84 C ATOM 680 CG LEU A 56 -11.007 -16.760 3.100 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.969 -15.666 3.303 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.623 -17.169 4.430 1.00 0.92 C ATOM 0 H LEU A 56 -11.466 -14.023 1.398 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.712 -16.570 0.495 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.565 -15.403 2.533 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.865 -17.069 2.079 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.506 -17.628 2.670 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.204 -16.014 3.998 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.506 -15.421 2.347 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.452 -14.778 3.710 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.836 -17.494 5.111 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.149 -16.319 4.864 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.325 -17.987 4.269 1.00 0.92 H new ATOM 688 N THR A 57 -13.802 -15.701 -0.298 1.00 0.93 N ATOM 689 CA THR A 57 -14.920 -16.020 -1.185 1.00 1.09 C ATOM 690 C THR A 57 -14.481 -16.189 -2.640 1.00 1.14 C ATOM 691 O THR A 57 -15.170 -16.840 -3.424 1.00 1.27 O ATOM 692 CB THR A 57 -16.004 -14.940 -1.092 1.00 1.23 C ATOM 693 OG1 THR A 57 -17.217 -15.403 -1.657 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.639 -13.647 -1.794 1.00 1.45 C ATOM 0 H THR A 57 -13.958 -14.890 0.301 1.00 0.93 H new ATOM 0 HA THR A 57 -15.325 -16.975 -0.851 1.00 1.09 H new ATOM 0 HB THR A 57 -16.109 -14.734 -0.027 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.899 -14.702 -1.588 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.454 -12.931 -1.685 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.733 -13.235 -1.350 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.468 -13.843 -2.852 1.00 1.45 H new ATOM 699 N TYR A 58 -13.353 -15.587 -3.011 1.00 1.08 N ATOM 700 CA TYR A 58 -12.881 -15.679 -4.390 1.00 1.17 C ATOM 701 C TYR A 58 -11.638 -16.562 -4.540 1.00 1.08 C ATOM 702 O TYR A 58 -11.395 -17.099 -5.621 1.00 1.19 O ATOM 703 CB TYR A 58 -12.614 -14.274 -4.951 1.00 1.25 C ATOM 704 CG TYR A 58 -11.152 -13.882 -4.985 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.533 -13.350 -3.863 1.00 1.25 C ATOM 706 CD2 TYR A 58 -10.393 -14.048 -6.137 1.00 1.67 C ATOM 707 CE1 TYR A 58 -9.200 -12.994 -3.887 1.00 1.55 C ATOM 708 CE2 TYR A 58 -9.058 -13.695 -6.168 1.00 2.23 C ATOM 709 CZ TYR A 58 -8.466 -13.168 -5.040 1.00 2.11 C ATOM 710 OH TYR A 58 -7.137 -12.813 -5.067 1.00 2.74 O ATOM 0 H TYR A 58 -12.758 -15.040 -2.389 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.673 -16.159 -4.965 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.017 -14.217 -5.962 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.159 -13.546 -4.350 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.104 -13.212 -2.956 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -10.854 -14.460 -7.022 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -8.734 -12.580 -3.005 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -8.481 -13.831 -7.071 1.00 2.23 H new ATOM 0 HH TYR A 58 -6.982 -12.078 -4.437 1.00 2.74 H new ATOM 720 N ARG A 59 -10.838 -16.706 -3.482 1.00 0.99 N ATOM 721 CA ARG A 59 -9.624 -17.523 -3.586 1.00 0.99 C ATOM 722 C ARG A 59 -9.334 -18.340 -2.325 1.00 0.90 C ATOM 723 O ARG A 59 -8.775 -19.435 -2.410 1.00 0.97 O ATOM 724 CB ARG A 59 -8.424 -16.627 -3.908 1.00 1.05 C ATOM 725 CG ARG A 59 -7.853 -15.897 -2.701 1.00 1.58 C ATOM 726 CD ARG A 59 -6.641 -16.621 -2.136 1.00 1.65 C ATOM 727 NE ARG A 59 -5.550 -16.700 -3.104 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.518 -17.533 -2.992 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.433 -18.360 -1.956 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.569 -17.543 -3.918 1.00 3.32 N ATOM 0 H ARG A 59 -10.999 -16.282 -2.568 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.795 -18.238 -4.391 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.639 -17.236 -4.356 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.723 -15.892 -4.656 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.572 -14.883 -2.986 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -8.619 -15.811 -1.930 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.295 -16.104 -1.241 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.929 -17.627 -1.832 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.581 -16.080 -3.914 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.161 -18.359 -1.241 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -3.640 -18.996 -1.875 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.629 -16.912 -4.717 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.779 -18.182 -3.831 1.00 3.32 H new ATOM 744 N GLY A 60 -9.685 -17.807 -1.164 1.00 0.81 N ATOM 745 CA GLY A 60 -9.417 -18.512 0.080 1.00 0.80 C ATOM 746 C GLY A 60 -8.105 -18.072 0.700 1.00 0.78 C ATOM 747 O GLY A 60 -7.275 -18.900 1.076 1.00 0.88 O ATOM 0 H GLY A 60 -10.148 -16.904 -1.057 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.230 -18.333 0.783 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.389 -19.585 -0.108 1.00 0.80 H new ATOM 751 N LYS A 61 -7.916 -16.759 0.789 1.00 0.76 N ATOM 752 CA LYS A 61 -6.695 -16.187 1.346 1.00 0.90 C ATOM 753 C LYS A 61 -6.580 -16.443 2.849 1.00 0.95 C ATOM 754 O LYS A 61 -7.285 -17.284 3.405 1.00 1.42 O ATOM 755 CB LYS A 61 -6.642 -14.685 1.060 1.00 1.17 C ATOM 756 CG LYS A 61 -5.239 -14.163 0.786 1.00 1.31 C ATOM 757 CD LYS A 61 -5.035 -13.840 -0.687 1.00 1.00 C ATOM 758 CE LYS A 61 -3.825 -14.566 -1.256 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.659 -14.510 -0.332 1.00 2.13 N ATOM 0 H LYS A 61 -8.598 -16.067 0.480 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.849 -16.678 0.864 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.276 -14.465 0.201 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -7.060 -14.147 1.911 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -5.061 -13.268 1.383 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.507 -14.907 1.100 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.926 -14.121 -1.249 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.906 -12.765 -0.810 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.084 -15.607 -1.451 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.552 -14.121 -2.213 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -1.778 -14.548 -0.883 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -2.690 -13.624 0.212 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.694 -15.319 0.321 1.00 2.13 H new ATOM 773 N ASP A 62 -5.664 -15.720 3.487 1.00 1.17 N ATOM 774 CA ASP A 62 -5.413 -15.857 4.916 1.00 1.25 C ATOM 775 C ASP A 62 -6.685 -15.715 5.752 1.00 1.66 C ATOM 776 O ASP A 62 -7.800 -15.719 5.231 1.00 2.50 O ATOM 777 CB ASP A 62 -4.380 -14.819 5.364 1.00 1.84 C ATOM 778 CG ASP A 62 -3.335 -15.407 6.292 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.356 -15.995 5.786 1.00 2.95 O ATOM 780 OD2 ASP A 62 -3.496 -15.279 7.524 1.00 3.06 O ATOM 0 H ASP A 62 -5.076 -15.024 3.028 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.029 -16.864 5.080 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.888 -14.398 4.487 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.889 -13.998 5.868 1.00 1.84 H new ATOM 785 N ARG A 63 -6.487 -15.588 7.061 1.00 1.71 N ATOM 786 CA ARG A 63 -7.576 -15.440 8.019 1.00 2.49 C ATOM 787 C ARG A 63 -7.438 -14.092 8.727 1.00 2.22 C ATOM 788 O ARG A 63 -6.497 -13.357 8.438 1.00 1.77 O ATOM 789 CB ARG A 63 -7.517 -16.597 9.023 1.00 3.33 C ATOM 790 CG ARG A 63 -8.315 -17.817 8.590 1.00 4.23 C ATOM 791 CD ARG A 63 -9.793 -17.674 8.921 1.00 4.88 C ATOM 792 NE ARG A 63 -10.112 -18.214 10.240 1.00 5.84 N ATOM 793 CZ ARG A 63 -11.332 -18.598 10.611 1.00 6.66 C ATOM 794 NH1 ARG A 63 -12.354 -18.490 9.772 1.00 6.76 N ATOM 795 NH2 ARG A 63 -11.530 -19.090 11.827 1.00 7.66 N ATOM 0 H ARG A 63 -5.561 -15.585 7.488 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.540 -15.468 7.511 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.477 -16.887 9.171 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.891 -16.251 9.986 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.196 -17.967 7.517 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -7.917 -18.705 9.082 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -10.073 -16.621 8.883 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -10.386 -18.189 8.165 1.00 4.88 H new ATOM 0 HE ARG A 63 -9.355 -18.302 10.918 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -12.208 -18.111 8.836 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -13.286 -18.786 10.063 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -10.748 -19.174 12.477 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -12.464 -19.384 12.112 1.00 7.66 H new ATOM 809 N PRO A 64 -8.357 -13.734 9.657 1.00 3.04 N ATOM 810 CA PRO A 64 -8.301 -12.463 10.382 1.00 3.30 C ATOM 811 C PRO A 64 -6.882 -11.919 10.529 1.00 2.79 C ATOM 812 O PRO A 64 -6.183 -12.204 11.500 1.00 3.00 O ATOM 813 CB PRO A 64 -8.896 -12.853 11.726 1.00 4.45 C ATOM 814 CG PRO A 64 -9.972 -13.827 11.367 1.00 4.81 C ATOM 815 CD PRO A 64 -9.531 -14.519 10.091 1.00 4.12 C ATOM 0 HA PRO A 64 -8.826 -11.656 9.872 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.149 -13.304 12.379 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.298 -11.987 12.252 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.120 -14.551 12.168 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -10.923 -13.315 11.220 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.271 -15.562 10.270 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.319 -14.511 9.338 1.00 4.12 H new ATOM 823 N THR A 65 -6.468 -11.151 9.527 1.00 2.27 N ATOM 824 CA THR A 65 -5.136 -10.569 9.483 1.00 2.01 C ATOM 825 C THR A 65 -5.139 -9.124 9.981 1.00 1.59 C ATOM 826 O THR A 65 -6.106 -8.662 10.585 1.00 1.81 O ATOM 827 CB THR A 65 -4.608 -10.623 8.044 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.216 -10.370 8.007 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.284 -9.629 7.122 1.00 2.82 C ATOM 0 H THR A 65 -7.049 -10.916 8.722 1.00 2.27 H new ATOM 0 HA THR A 65 -4.487 -11.146 10.142 1.00 2.01 H new ATOM 0 HB THR A 65 -4.832 -11.630 7.693 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.901 -10.411 7.080 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.865 -9.719 6.120 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.354 -9.834 7.087 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.120 -8.618 7.494 1.00 2.82 H new ATOM 834 N ASN A 66 -4.046 -8.417 9.704 1.00 1.36 N ATOM 835 CA ASN A 66 -3.905 -7.020 10.098 1.00 1.09 C ATOM 836 C ASN A 66 -3.589 -6.156 8.880 1.00 0.83 C ATOM 837 O ASN A 66 -4.121 -5.057 8.728 1.00 1.09 O ATOM 838 CB ASN A 66 -2.803 -6.871 11.147 1.00 1.37 C ATOM 839 CG ASN A 66 -2.669 -5.446 11.646 1.00 1.54 C ATOM 840 OD1 ASN A 66 -3.564 -4.920 12.307 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.545 -4.812 11.331 1.00 1.35 N ATOM 0 H ASN A 66 -3.240 -8.793 9.204 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.848 -6.686 10.531 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.015 -7.530 11.989 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -1.853 -7.195 10.721 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -1.398 -3.851 11.639 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -0.829 -5.286 10.781 1.00 1.35 H new ATOM 846 N VAL A 67 -2.721 -6.670 8.012 1.00 0.71 N ATOM 847 CA VAL A 67 -2.332 -5.962 6.799 1.00 0.79 C ATOM 848 C VAL A 67 -2.245 -6.925 5.618 1.00 0.79 C ATOM 849 O VAL A 67 -1.158 -7.220 5.118 1.00 0.81 O ATOM 850 CB VAL A 67 -0.976 -5.249 6.973 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.137 -3.995 7.818 1.00 1.59 C ATOM 852 CG2 VAL A 67 0.047 -6.190 7.590 1.00 1.51 C ATOM 0 H VAL A 67 -2.273 -7.579 8.129 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.099 -5.213 6.603 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.613 -4.951 5.989 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.170 -3.505 7.930 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.834 -3.314 7.330 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.523 -4.266 8.801 1.00 1.59 H new ATOM 0 HG21 VAL A 67 0.998 -5.669 7.705 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.306 -6.521 8.567 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.184 -7.055 6.941 1.00 1.51 H new ATOM 856 N LEU A 68 -3.401 -7.418 5.184 1.00 0.86 N ATOM 857 CA LEU A 68 -3.467 -8.357 4.069 1.00 0.89 C ATOM 858 C LEU A 68 -3.384 -7.622 2.732 1.00 0.81 C ATOM 859 O LEU A 68 -4.055 -6.612 2.520 1.00 0.75 O ATOM 860 CB LEU A 68 -4.761 -9.181 4.164 1.00 0.99 C ATOM 861 CG LEU A 68 -5.295 -9.776 2.855 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.662 -11.132 2.585 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.811 -9.897 2.917 1.00 1.10 C ATOM 0 H LEU A 68 -4.307 -7.182 5.589 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.614 -9.033 4.125 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.594 -9.998 4.866 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.538 -8.547 4.592 1.00 0.99 H new ATOM 0 HG LEU A 68 -5.030 -9.109 2.035 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -5.054 -11.537 1.652 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.581 -11.019 2.506 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.897 -11.813 3.403 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -7.181 -10.320 1.983 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.091 -10.547 3.746 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.249 -8.910 3.066 1.00 1.10 H new ATOM 869 N SER A 69 -2.553 -8.142 1.835 1.00 0.96 N ATOM 870 CA SER A 69 -2.377 -7.546 0.517 1.00 0.97 C ATOM 871 C SER A 69 -2.408 -8.620 -0.564 1.00 0.86 C ATOM 872 O SER A 69 -2.334 -9.813 -0.270 1.00 0.89 O ATOM 873 CB SER A 69 -1.056 -6.776 0.452 1.00 1.18 C ATOM 874 OG SER A 69 -0.748 -6.187 1.704 1.00 1.85 O ATOM 0 H SER A 69 -1.990 -8.977 1.998 1.00 0.96 H new ATOM 0 HA SER A 69 -3.199 -6.851 0.343 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.252 -7.450 0.156 1.00 1.18 H new ATOM 0 HB3 SER A 69 -1.120 -6.001 -0.312 1.00 1.18 H new ATOM 0 HG SER A 69 0.207 -5.971 1.738 1.00 1.85 H new ATOM 880 N PHE A 70 -2.518 -8.191 -1.816 1.00 0.81 N ATOM 881 CA PHE A 70 -2.561 -9.121 -2.938 1.00 0.82 C ATOM 882 C PHE A 70 -1.312 -8.981 -3.807 1.00 0.91 C ATOM 883 O PHE A 70 -1.244 -8.110 -4.677 1.00 1.03 O ATOM 884 CB PHE A 70 -3.821 -8.885 -3.771 1.00 0.89 C ATOM 885 CG PHE A 70 -5.037 -9.558 -3.204 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.094 -10.937 -3.097 1.00 1.81 C ATOM 887 CD2 PHE A 70 -6.119 -8.809 -2.769 1.00 1.16 C ATOM 888 CE1 PHE A 70 -6.208 -11.558 -2.568 1.00 2.03 C ATOM 889 CE2 PHE A 70 -7.235 -9.426 -2.238 1.00 1.33 C ATOM 890 CZ PHE A 70 -7.279 -10.802 -2.138 1.00 1.48 C ATOM 0 H PHE A 70 -2.579 -7.207 -2.079 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.587 -10.136 -2.543 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.006 -7.813 -3.842 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.652 -9.248 -4.785 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.258 -11.534 -3.431 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -6.089 -7.732 -2.846 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.241 -12.635 -2.491 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -8.072 -8.832 -1.901 1.00 1.33 H new ATOM 0 HZ PHE A 70 -8.151 -11.286 -1.724 1.00 1.48 H new ATOM 900 N PRO A 71 -0.301 -9.839 -3.574 1.00 0.95 N ATOM 901 CA PRO A 71 0.953 -9.811 -4.332 1.00 1.11 C ATOM 902 C PRO A 71 0.815 -10.437 -5.715 1.00 1.11 C ATOM 903 O PRO A 71 0.108 -11.429 -5.891 1.00 1.14 O ATOM 904 CB PRO A 71 1.896 -10.641 -3.464 1.00 1.18 C ATOM 905 CG PRO A 71 1.007 -11.616 -2.776 1.00 1.13 C ATOM 906 CD PRO A 71 -0.301 -10.904 -2.549 1.00 0.95 C ATOM 0 HA PRO A 71 1.297 -8.793 -4.518 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.649 -11.148 -4.068 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.430 -10.016 -2.748 1.00 1.18 H new ATOM 0 HG2 PRO A 71 0.864 -12.509 -3.384 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.443 -11.941 -1.831 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -1.150 -11.577 -2.670 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.363 -10.491 -1.542 1.00 0.95 H new ATOM 914 N PHE A 72 1.501 -9.856 -6.693 1.00 1.22 N ATOM 915 CA PHE A 72 1.461 -10.362 -8.060 1.00 1.28 C ATOM 916 C PHE A 72 2.245 -11.668 -8.173 1.00 1.36 C ATOM 917 O PHE A 72 2.823 -12.141 -7.194 1.00 1.47 O ATOM 918 CB PHE A 72 2.019 -9.316 -9.034 1.00 1.36 C ATOM 919 CG PHE A 72 3.522 -9.295 -9.123 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.304 -9.489 -7.994 1.00 1.38 C ATOM 921 CD2 PHE A 72 4.150 -9.083 -10.339 1.00 1.65 C ATOM 922 CE1 PHE A 72 5.683 -9.470 -8.078 1.00 1.46 C ATOM 923 CE2 PHE A 72 5.528 -9.064 -10.429 1.00 1.83 C ATOM 924 CZ PHE A 72 6.296 -9.258 -9.298 1.00 1.39 C ATOM 0 H PHE A 72 2.091 -9.034 -6.565 1.00 1.22 H new ATOM 0 HA PHE A 72 0.422 -10.562 -8.323 1.00 1.28 H new ATOM 0 HB2 PHE A 72 1.610 -9.506 -10.026 1.00 1.36 H new ATOM 0 HB3 PHE A 72 1.671 -8.329 -8.729 1.00 1.36 H new ATOM 0 HD1 PHE A 72 3.830 -9.657 -7.038 1.00 1.38 H new ATOM 0 HD2 PHE A 72 3.555 -8.931 -11.227 1.00 1.65 H new ATOM 0 HE1 PHE A 72 6.281 -9.621 -7.191 1.00 1.46 H new ATOM 0 HE2 PHE A 72 6.005 -8.897 -11.384 1.00 1.83 H new ATOM 0 HZ PHE A 72 7.374 -9.244 -9.367 1.00 1.39 H new ATOM 934 N GLU A 73 2.265 -12.247 -9.373 1.00 1.56 N ATOM 935 CA GLU A 73 2.984 -13.498 -9.608 1.00 1.67 C ATOM 936 C GLU A 73 4.391 -13.438 -9.019 1.00 1.31 C ATOM 937 O GLU A 73 5.043 -12.394 -9.053 1.00 1.43 O ATOM 938 CB GLU A 73 3.058 -13.794 -11.108 1.00 2.21 C ATOM 939 CG GLU A 73 1.725 -13.649 -11.825 1.00 2.25 C ATOM 940 CD GLU A 73 1.282 -14.932 -12.500 1.00 2.36 C ATOM 941 OE1 GLU A 73 1.627 -16.020 -11.993 1.00 2.62 O ATOM 942 OE2 GLU A 73 0.589 -14.850 -13.536 1.00 2.89 O ATOM 0 H GLU A 73 1.793 -11.871 -10.195 1.00 1.56 H new ATOM 0 HA GLU A 73 2.437 -14.300 -9.113 1.00 1.67 H new ATOM 0 HB2 GLU A 73 3.783 -13.121 -11.567 1.00 2.21 H new ATOM 0 HB3 GLU A 73 3.429 -14.809 -11.251 1.00 2.21 H new ATOM 0 HG2 GLU A 73 0.964 -13.338 -11.109 1.00 2.25 H new ATOM 0 HG3 GLU A 73 1.803 -12.858 -12.571 1.00 2.25 H new ATOM 949 N CYS A 74 4.851 -14.559 -8.472 1.00 1.48 N ATOM 950 CA CYS A 74 6.178 -14.622 -7.869 1.00 1.68 C ATOM 951 C CYS A 74 7.086 -15.594 -8.621 1.00 1.76 C ATOM 952 O CYS A 74 7.471 -16.636 -8.090 1.00 2.31 O ATOM 953 CB CYS A 74 6.072 -15.038 -6.401 1.00 2.63 C ATOM 954 SG CYS A 74 4.999 -16.466 -6.113 1.00 3.95 S ATOM 0 H CYS A 74 4.327 -15.433 -8.434 1.00 1.48 H new ATOM 0 HA CYS A 74 6.620 -13.628 -7.931 1.00 1.68 H new ATOM 0 HB2 CYS A 74 7.070 -15.266 -6.026 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.699 -14.194 -5.821 1.00 2.63 H new ATOM 0 HG CYS A 74 4.976 -16.742 -4.843 1.00 3.95 H new ATOM 960 N PRO A 75 7.450 -15.262 -9.872 1.00 1.68 N ATOM 961 CA PRO A 75 8.324 -16.107 -10.690 1.00 2.01 C ATOM 962 C PRO A 75 9.777 -16.036 -10.227 1.00 2.43 C ATOM 963 O PRO A 75 10.060 -15.594 -9.113 1.00 3.08 O ATOM 964 CB PRO A 75 8.172 -15.511 -12.089 1.00 2.13 C ATOM 965 CG PRO A 75 7.852 -14.077 -11.852 1.00 2.21 C ATOM 966 CD PRO A 75 7.043 -14.035 -10.583 1.00 1.89 C ATOM 0 HA PRO A 75 8.058 -17.162 -10.634 1.00 2.01 H new ATOM 0 HB2 PRO A 75 9.088 -15.622 -12.669 1.00 2.13 H new ATOM 0 HB3 PRO A 75 7.378 -16.007 -12.648 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.762 -13.485 -11.754 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.289 -13.660 -12.687 1.00 2.21 H new ATOM 0 HD2 PRO A 75 7.261 -13.142 -9.998 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.973 -14.028 -10.790 1.00 1.89 H new ATOM 974 N ASP A 76 10.697 -16.474 -11.083 1.00 2.55 N ATOM 975 CA ASP A 76 12.120 -16.456 -10.752 1.00 3.28 C ATOM 976 C ASP A 76 12.549 -15.085 -10.232 1.00 3.54 C ATOM 977 O ASP A 76 12.641 -14.871 -9.024 1.00 4.33 O ATOM 978 CB ASP A 76 12.956 -16.835 -11.978 1.00 3.70 C ATOM 979 CG ASP A 76 13.288 -18.313 -12.018 1.00 4.37 C ATOM 980 OD1 ASP A 76 12.371 -19.133 -11.804 1.00 4.93 O ATOM 981 OD2 ASP A 76 14.465 -18.651 -12.264 1.00 4.70 O ATOM 0 H ASP A 76 10.484 -16.845 -12.009 1.00 2.55 H new ATOM 0 HA ASP A 76 12.289 -17.189 -9.963 1.00 3.28 H new ATOM 0 HB2 ASP A 76 12.412 -16.563 -12.883 1.00 3.70 H new ATOM 0 HB3 ASP A 76 13.881 -16.258 -11.976 1.00 3.70 H new ATOM 986 N GLU A 77 12.810 -14.162 -11.153 1.00 3.34 N ATOM 987 CA GLU A 77 13.228 -12.814 -10.787 1.00 4.10 C ATOM 988 C GLU A 77 12.399 -11.767 -11.521 1.00 4.12 C ATOM 989 O GLU A 77 11.971 -10.778 -10.929 1.00 4.72 O ATOM 990 CB GLU A 77 14.714 -12.616 -11.096 1.00 4.59 C ATOM 991 CG GLU A 77 15.639 -13.230 -10.057 1.00 5.37 C ATOM 992 CD GLU A 77 17.052 -13.420 -10.573 1.00 6.17 C ATOM 993 OE1 GLU A 77 17.337 -14.496 -11.140 1.00 6.84 O ATOM 994 OE2 GLU A 77 17.873 -12.493 -10.412 1.00 6.39 O ATOM 0 H GLU A 77 12.739 -14.323 -12.158 1.00 3.34 H new ATOM 0 HA GLU A 77 13.067 -12.690 -9.716 1.00 4.10 H new ATOM 0 HB2 GLU A 77 14.935 -13.052 -12.070 1.00 4.59 H new ATOM 0 HB3 GLU A 77 14.922 -11.549 -11.170 1.00 4.59 H new ATOM 0 HG2 GLU A 77 15.662 -12.592 -9.174 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.238 -14.194 -9.743 1.00 5.37 H new ATOM 1001 N VAL A 78 12.180 -11.995 -12.812 1.00 3.88 N ATOM 1002 CA VAL A 78 11.403 -11.078 -13.647 1.00 4.32 C ATOM 1003 C VAL A 78 11.779 -9.618 -13.385 1.00 4.59 C ATOM 1004 O VAL A 78 11.283 -8.991 -12.450 1.00 4.66 O ATOM 1005 CB VAL A 78 9.885 -11.268 -13.440 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.435 -12.602 -14.013 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.508 -11.167 -11.967 1.00 4.61 C ATOM 0 H VAL A 78 12.532 -12.814 -13.308 1.00 3.88 H new ATOM 0 HA VAL A 78 11.647 -11.319 -14.682 1.00 4.32 H new ATOM 0 HB VAL A 78 9.372 -10.466 -13.971 1.00 4.22 H new ATOM 0 HG11 VAL A 78 8.362 -12.721 -13.859 1.00 3.62 H new ATOM 0 HG12 VAL A 78 9.654 -12.632 -15.080 1.00 3.62 H new ATOM 0 HG13 VAL A 78 9.965 -13.411 -13.511 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.432 -11.305 -11.856 1.00 4.61 H new ATOM 0 HG22 VAL A 78 10.033 -11.938 -11.403 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.789 -10.185 -11.586 1.00 4.61 H new ATOM 1011 N GLU A 79 12.668 -9.087 -14.218 1.00 5.02 N ATOM 1012 CA GLU A 79 13.122 -7.708 -14.077 1.00 5.37 C ATOM 1013 C GLU A 79 12.072 -6.722 -14.580 1.00 4.83 C ATOM 1014 O GLU A 79 11.988 -6.445 -15.777 1.00 5.25 O ATOM 1015 CB GLU A 79 14.435 -7.504 -14.837 1.00 6.47 C ATOM 1016 CG GLU A 79 15.624 -8.198 -14.192 1.00 7.05 C ATOM 1017 CD GLU A 79 16.137 -9.363 -15.014 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.164 -9.247 -16.258 1.00 8.58 O ATOM 1019 OE2 GLU A 79 16.513 -10.393 -14.416 1.00 8.13 O ATOM 0 H GLU A 79 13.089 -9.591 -14.999 1.00 5.02 H new ATOM 0 HA GLU A 79 13.285 -7.517 -13.016 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.317 -7.874 -15.855 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.642 -6.436 -14.908 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.428 -7.476 -14.051 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.338 -8.555 -13.202 1.00 7.05 H new ATOM 1026 N LEU A 80 11.280 -6.189 -13.656 1.00 4.12 N ATOM 1027 CA LEU A 80 10.241 -5.224 -13.999 1.00 3.69 C ATOM 1028 C LEU A 80 9.750 -4.487 -12.752 1.00 3.19 C ATOM 1029 O LEU A 80 9.693 -5.063 -11.666 1.00 2.62 O ATOM 1030 CB LEU A 80 9.068 -5.921 -14.699 1.00 3.48 C ATOM 1031 CG LEU A 80 8.155 -6.749 -13.789 1.00 3.52 C ATOM 1032 CD1 LEU A 80 6.707 -6.634 -14.239 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.598 -8.204 -13.776 1.00 3.62 C ATOM 0 H LEU A 80 11.338 -6.409 -12.662 1.00 4.12 H new ATOM 0 HA LEU A 80 10.672 -4.493 -14.684 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.464 -5.164 -15.199 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.467 -6.574 -15.475 1.00 3.48 H new ATOM 0 HG LEU A 80 8.230 -6.357 -12.775 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.073 -7.229 -13.581 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.395 -5.590 -14.198 1.00 4.01 H new ATOM 0 HD13 LEU A 80 6.613 -7.000 -15.261 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.939 -8.779 -13.125 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.551 -8.608 -14.787 1.00 3.62 H new ATOM 0 HD23 LEU A 80 9.621 -8.269 -13.406 1.00 3.62 H new ATOM 1039 N PRO A 81 9.388 -3.201 -12.894 1.00 3.80 N ATOM 1040 CA PRO A 81 8.902 -2.390 -11.775 1.00 3.74 C ATOM 1041 C PRO A 81 7.449 -2.693 -11.425 1.00 2.98 C ATOM 1042 O PRO A 81 6.592 -2.774 -12.304 1.00 3.21 O ATOM 1043 CB PRO A 81 9.041 -0.963 -12.302 1.00 4.99 C ATOM 1044 CG PRO A 81 8.859 -1.091 -13.775 1.00 5.53 C ATOM 1045 CD PRO A 81 9.425 -2.434 -14.156 1.00 4.94 C ATOM 0 HA PRO A 81 9.456 -2.580 -10.856 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.291 -0.304 -11.865 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.016 -0.543 -12.057 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.805 -1.023 -14.044 1.00 5.53 H new ATOM 0 HG3 PRO A 81 9.375 -0.288 -14.302 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.830 -2.913 -14.933 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.441 -2.346 -14.541 1.00 4.94 H new ATOM 1053 N LEU A 82 7.178 -2.856 -10.133 1.00 2.52 N ATOM 1054 CA LEU A 82 5.827 -3.147 -9.665 1.00 1.87 C ATOM 1055 C LEU A 82 5.773 -3.175 -8.138 1.00 1.58 C ATOM 1056 O LEU A 82 6.804 -3.279 -7.473 1.00 2.06 O ATOM 1057 CB LEU A 82 5.334 -4.480 -10.248 1.00 1.92 C ATOM 1058 CG LEU A 82 5.810 -5.752 -9.533 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.286 -5.661 -9.176 1.00 2.25 C ATOM 1060 CD2 LEU A 82 4.972 -6.013 -8.288 1.00 2.10 C ATOM 0 H LEU A 82 7.876 -2.791 -9.392 1.00 2.52 H new ATOM 0 HA LEU A 82 5.167 -2.352 -10.011 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.244 -4.473 -10.244 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.649 -4.535 -11.290 1.00 1.92 H new ATOM 0 HG LEU A 82 5.681 -6.590 -10.218 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.595 -6.576 -8.671 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.873 -5.533 -10.085 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.449 -4.809 -8.516 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.325 -6.919 -7.795 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.063 -5.169 -7.604 1.00 2.10 H new ATOM 0 HD23 LEU A 82 3.927 -6.138 -8.572 1.00 2.10 H new ATOM 1066 N LEU A 83 4.567 -3.073 -7.589 1.00 1.15 N ATOM 1067 CA LEU A 83 4.385 -3.082 -6.141 1.00 1.18 C ATOM 1068 C LEU A 83 3.374 -4.144 -5.715 1.00 1.05 C ATOM 1069 O LEU A 83 3.579 -4.849 -4.727 1.00 1.39 O ATOM 1070 CB LEU A 83 3.932 -1.702 -5.658 1.00 1.20 C ATOM 1071 CG LEU A 83 4.779 -1.104 -4.534 1.00 2.03 C ATOM 1072 CD1 LEU A 83 4.780 -2.022 -3.323 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.201 -0.854 -5.015 1.00 2.48 C ATOM 0 H LEU A 83 3.703 -2.983 -8.123 1.00 1.15 H new ATOM 0 HA LEU A 83 5.344 -3.326 -5.684 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.941 -1.016 -6.505 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.899 -1.773 -5.317 1.00 1.20 H new ATOM 0 HG LEU A 83 4.341 -0.149 -4.242 1.00 2.03 H new ATOM 0 HD11 LEU A 83 5.388 -1.581 -2.533 1.00 3.13 H new ATOM 0 HD12 LEU A 83 3.759 -2.153 -2.965 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.194 -2.991 -3.601 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.790 -0.428 -4.203 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.648 -1.796 -5.333 1.00 2.48 H new ATOM 0 HD23 LEU A 83 6.184 -0.159 -5.854 1.00 2.48 H new ATOM 1079 N GLY A 84 2.280 -4.248 -6.463 1.00 0.86 N ATOM 1080 CA GLY A 84 1.251 -5.223 -6.142 1.00 1.17 C ATOM 1081 C GLY A 84 -0.013 -4.575 -5.605 1.00 1.02 C ATOM 1082 O GLY A 84 -0.136 -3.350 -5.606 1.00 0.95 O ATOM 0 H GLY A 84 2.087 -3.676 -7.285 1.00 0.86 H new ATOM 0 HA2 GLY A 84 1.009 -5.800 -7.035 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.638 -5.926 -5.404 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.955 -5.396 -5.146 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.213 -4.887 -4.608 1.00 0.88 C ATOM 1088 C ASP A 85 -2.234 -4.984 -3.083 1.00 0.82 C ATOM 1089 O ASP A 85 -1.489 -5.766 -2.491 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.394 -5.653 -5.210 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.721 -5.281 -4.575 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.006 -5.775 -3.464 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -5.474 -4.497 -5.188 1.00 2.12 O ATOM 0 H ASP A 85 -0.871 -6.412 -5.136 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.301 -3.835 -4.880 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.441 -5.456 -6.281 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.226 -6.723 -5.090 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.084 -4.177 -2.451 1.00 0.73 N ATOM 1099 CA LEU A 86 -3.189 -4.165 -0.994 1.00 0.69 C ATOM 1100 C LEU A 86 -4.645 -4.209 -0.533 1.00 0.60 C ATOM 1101 O LEU A 86 -5.543 -3.722 -1.220 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.503 -2.917 -0.430 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.130 -3.159 0.203 1.00 0.94 C ATOM 1104 CD1 LEU A 86 -0.171 -2.037 -0.162 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.254 -3.282 1.714 1.00 1.10 C ATOM 0 H LEU A 86 -3.709 -3.524 -2.924 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.691 -5.059 -0.618 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -2.392 -2.188 -1.233 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -3.157 -2.469 0.318 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.731 -4.095 -0.187 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.800 -2.225 0.296 1.00 1.41 H new ATOM 0 HD12 LEU A 86 -0.059 -1.992 -1.245 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.566 -1.088 0.201 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.269 -3.454 2.147 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.674 -2.362 2.121 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.909 -4.119 1.958 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.862 -4.789 0.647 1.00 0.56 N ATOM 1112 CA VAL A 87 -6.198 -4.896 1.225 1.00 0.59 C ATOM 1113 C VAL A 87 -6.142 -4.682 2.735 1.00 0.66 C ATOM 1114 O VAL A 87 -6.093 -5.642 3.505 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.840 -6.270 0.939 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.347 -6.199 1.117 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.486 -6.751 -0.461 1.00 1.15 C ATOM 0 H VAL A 87 -4.124 -5.194 1.223 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.810 -4.124 0.759 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.442 -6.990 1.654 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.784 -7.176 0.912 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -8.579 -5.906 2.141 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.761 -5.464 0.426 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.949 -7.721 -0.640 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.851 -6.033 -1.196 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.404 -6.844 -0.551 1.00 1.15 H new ATOM 1121 N ILE A 88 -6.131 -3.420 3.152 1.00 0.57 N ATOM 1122 CA ILE A 88 -6.055 -3.087 4.572 1.00 0.66 C ATOM 1123 C ILE A 88 -7.389 -2.583 5.117 1.00 0.74 C ATOM 1124 O ILE A 88 -8.276 -2.198 4.358 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.979 -2.014 4.831 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.688 -2.355 4.080 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.716 -1.874 6.322 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -3.289 -1.304 3.068 1.00 1.94 C ATOM 0 H ILE A 88 -6.174 -2.613 2.530 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.792 -4.010 5.089 1.00 0.66 H new ATOM 0 HB ILE A 88 -5.346 -1.058 4.458 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.880 -2.481 4.800 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.814 -3.311 3.571 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.954 -1.112 6.487 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.636 -1.582 6.828 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.369 -2.827 6.721 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -2.367 -1.608 2.572 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -4.080 -1.194 2.327 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -3.132 -0.352 3.575 1.00 1.94 H new ATOM 1132 N CYS A 89 -7.514 -2.583 6.442 1.00 0.79 N ATOM 1133 CA CYS A 89 -8.728 -2.118 7.101 1.00 0.89 C ATOM 1134 C CYS A 89 -8.576 -0.662 7.535 1.00 0.78 C ATOM 1135 O CYS A 89 -7.474 -0.203 7.833 1.00 0.73 O ATOM 1136 CB CYS A 89 -9.046 -2.995 8.313 1.00 1.12 C ATOM 1137 SG CYS A 89 -9.535 -4.683 7.894 1.00 1.32 S ATOM 0 H CYS A 89 -6.785 -2.901 7.081 1.00 0.79 H new ATOM 0 HA CYS A 89 -9.552 -2.188 6.391 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -8.170 -3.032 8.961 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -9.847 -2.528 8.886 1.00 1.12 H new ATOM 0 HG CYS A 89 -10.097 -4.694 6.722 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.690 0.059 7.562 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.690 1.466 7.951 1.00 0.91 C ATOM 1145 C ARG A 90 -9.779 1.638 9.468 1.00 0.81 C ATOM 1146 O ARG A 90 -9.757 2.760 9.969 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.857 2.195 7.275 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.436 3.403 6.449 1.00 2.09 C ATOM 1149 CD ARG A 90 -9.559 4.359 7.242 1.00 2.56 C ATOM 1150 NE ARG A 90 -10.249 5.610 7.553 1.00 3.28 N ATOM 1151 CZ ARG A 90 -11.069 5.770 8.590 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -11.310 4.762 9.418 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -11.648 6.944 8.800 1.00 5.12 N ATOM 0 H ARG A 90 -10.610 -0.309 7.318 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.745 1.899 7.623 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -11.386 1.493 6.630 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -11.562 2.519 8.040 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -9.897 3.066 5.564 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.324 3.931 6.100 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -9.246 3.878 8.169 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -8.654 4.576 6.674 1.00 2.56 H new ATOM 0 HE ARG A 90 -10.093 6.409 6.938 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -10.866 3.857 9.262 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -11.939 4.892 10.210 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -11.465 7.723 8.168 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.276 7.068 9.594 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.908 0.534 10.198 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.029 0.604 11.651 1.00 0.63 C ATOM 1169 C GLN A 91 -8.678 0.483 12.360 1.00 0.58 C ATOM 1170 O GLN A 91 -8.467 1.103 13.400 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.977 -0.487 12.158 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.206 -0.684 11.285 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.152 -1.732 11.838 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -12.977 -2.214 12.957 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.162 -2.091 11.054 1.00 1.12 N ATOM 0 H GLN A 91 -9.931 -0.410 9.813 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.435 1.588 11.887 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.432 -1.429 12.220 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -11.297 -0.236 13.169 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.735 0.264 11.190 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -11.892 -0.976 10.283 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.269 -1.665 10.133 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.831 -2.792 11.373 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.773 -0.328 11.819 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.465 -0.525 12.449 1.00 0.60 C ATOM 1184 C VAL A 92 -5.496 0.630 12.187 1.00 0.55 C ATOM 1185 O VAL A 92 -5.038 1.290 13.126 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.804 -1.849 12.006 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -6.368 -3.017 12.802 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.974 -2.087 10.509 1.00 1.68 C ATOM 0 H VAL A 92 -7.915 -0.855 10.957 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.668 -0.564 13.519 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.736 -1.771 12.207 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -5.892 -3.942 12.478 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -6.174 -2.862 13.863 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -7.443 -3.085 12.636 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.497 -3.027 10.234 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -7.036 -2.134 10.266 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -5.512 -1.270 9.956 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.169 0.867 10.921 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.238 1.930 10.568 1.00 0.49 C ATOM 1194 C VAL A 93 -4.781 3.296 10.967 1.00 0.54 C ATOM 1195 O VAL A 93 -4.036 4.153 11.446 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.896 1.909 9.064 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.514 0.500 8.636 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.054 2.427 8.224 1.00 0.69 C ATOM 0 H VAL A 93 -5.533 0.340 10.127 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.320 1.748 11.126 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.047 2.573 8.900 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.274 0.495 7.573 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.645 0.170 9.205 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.349 -0.176 8.823 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.780 2.399 7.169 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.931 1.801 8.388 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.282 3.453 8.512 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.083 3.494 10.792 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.707 4.756 11.160 1.00 0.69 C ATOM 1204 C GLU A 94 -6.581 4.973 12.661 1.00 0.67 C ATOM 1205 O GLU A 94 -6.400 6.099 13.125 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.178 4.778 10.751 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.809 6.159 10.829 1.00 1.31 C ATOM 1208 CD GLU A 94 -10.082 6.179 11.653 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.652 5.094 11.895 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -10.510 7.280 12.057 1.00 2.25 O ATOM 0 H GLU A 94 -6.721 2.801 10.400 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.195 5.561 10.632 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.269 4.403 9.732 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.736 4.096 11.393 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.092 6.857 11.260 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.029 6.510 9.821 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.660 3.880 13.416 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.535 3.954 14.866 1.00 0.61 C ATOM 1219 C ARG A 95 -5.097 4.276 15.240 1.00 0.70 C ATOM 1220 O ARG A 95 -4.839 5.128 16.092 1.00 0.77 O ATOM 1221 CB ARG A 95 -6.966 2.639 15.518 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.266 2.766 17.003 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.475 1.935 17.405 1.00 1.58 C ATOM 1224 NE ARG A 95 -9.556 2.763 17.940 1.00 2.18 N ATOM 1225 CZ ARG A 95 -10.456 3.390 17.185 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.412 3.292 15.863 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -11.404 4.120 17.757 1.00 3.75 N ATOM 0 H ARG A 95 -6.809 2.940 13.050 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.190 4.745 15.232 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -7.853 2.263 15.007 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.179 1.898 15.377 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -6.397 2.447 17.579 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.445 3.812 17.250 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -8.838 1.380 16.540 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -8.177 1.200 18.153 1.00 1.58 H new ATOM 0 HE ARG A 95 -9.624 2.866 18.952 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -9.685 2.733 15.417 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.105 3.776 15.292 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -11.443 4.200 18.773 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -12.095 4.601 17.181 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.160 3.600 14.582 1.00 0.73 N ATOM 1242 CA GLU A 96 -2.744 3.830 14.834 1.00 0.86 C ATOM 1243 C GLU A 96 -2.371 5.261 14.461 1.00 0.90 C ATOM 1244 O GLU A 96 -1.589 5.913 15.154 1.00 1.05 O ATOM 1245 CB GLU A 96 -1.892 2.841 14.035 1.00 0.93 C ATOM 1246 CG GLU A 96 -0.607 2.440 14.742 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.469 0.938 14.899 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -0.356 0.242 13.868 1.00 2.50 O ATOM 1249 OE2 GLU A 96 -0.477 0.459 16.052 1.00 1.89 O ATOM 0 H GLU A 96 -4.356 2.892 13.874 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.551 3.678 15.896 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.481 1.946 13.833 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.644 3.284 13.070 1.00 0.93 H new ATOM 0 HG2 GLU A 96 0.246 2.822 14.181 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -0.577 2.908 15.726 1.00 1.34 H new ATOM 1256 N ALA A 97 -2.949 5.745 13.364 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.690 7.101 12.897 1.00 0.92 C ATOM 1258 C ALA A 97 -3.346 8.123 13.817 1.00 1.00 C ATOM 1259 O ALA A 97 -2.689 9.037 14.314 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.193 7.273 11.472 1.00 0.87 C ATOM 0 H ALA A 97 -3.600 5.217 12.783 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.613 7.269 12.911 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.993 8.290 11.136 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.681 6.567 10.818 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.266 7.085 11.440 1.00 0.87 H new ATOM 1266 N SER A 98 -4.646 7.959 14.043 1.00 0.92 N ATOM 1267 CA SER A 98 -5.389 8.866 14.910 1.00 1.01 C ATOM 1268 C SER A 98 -4.796 8.869 16.315 1.00 1.07 C ATOM 1269 O SER A 98 -4.807 9.888 17.005 1.00 1.18 O ATOM 1270 CB SER A 98 -6.864 8.463 14.966 1.00 0.99 C ATOM 1271 OG SER A 98 -7.694 9.592 15.176 1.00 1.50 O ATOM 0 H SER A 98 -5.205 7.208 13.639 1.00 0.92 H new ATOM 0 HA SER A 98 -5.314 9.872 14.496 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.145 7.969 14.036 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.017 7.741 15.768 1.00 0.99 H new ATOM 0 HG SER A 98 -8.631 9.308 15.206 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.271 7.719 16.729 1.00 1.04 N ATOM 1278 CA GLU A 99 -3.665 7.586 18.047 1.00 1.13 C ATOM 1279 C GLU A 99 -2.243 8.139 18.041 1.00 1.27 C ATOM 1280 O GLU A 99 -1.767 8.668 19.045 1.00 1.45 O ATOM 1281 CB GLU A 99 -3.654 6.121 18.483 1.00 1.07 C ATOM 1282 CG GLU A 99 -3.157 5.913 19.905 1.00 1.76 C ATOM 1283 CD GLU A 99 -4.210 5.302 20.809 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -5.404 5.625 20.634 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -3.841 4.500 21.693 1.00 2.88 O ATOM 0 H GLU A 99 -4.254 6.866 16.169 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.260 8.160 18.757 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.663 5.717 18.397 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.024 5.552 17.800 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -2.279 5.267 19.888 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -2.840 6.870 20.319 1.00 1.76 H new ATOM 1292 N GLN A 100 -1.572 8.015 16.899 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.206 8.506 16.757 1.00 1.37 C ATOM 1294 C GLN A 100 -0.165 10.034 16.783 1.00 1.48 C ATOM 1295 O GLN A 100 0.888 10.630 17.006 1.00 1.63 O ATOM 1296 CB GLN A 100 0.410 7.989 15.455 1.00 1.33 C ATOM 1297 CG GLN A 100 1.215 6.712 15.628 1.00 1.96 C ATOM 1298 CD GLN A 100 2.681 6.979 15.904 1.00 2.38 C ATOM 1299 OE1 GLN A 100 3.029 7.917 16.621 1.00 3.19 O ATOM 1300 NE2 GLN A 100 3.551 6.154 15.333 1.00 2.35 N ATOM 0 H GLN A 100 -1.953 7.579 16.059 1.00 1.22 H new ATOM 0 HA GLN A 100 0.375 8.134 17.601 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.386 7.812 14.732 1.00 1.33 H new ATOM 0 HB3 GLN A 100 1.055 8.761 15.036 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.795 6.131 16.449 1.00 1.96 H new ATOM 0 HG3 GLN A 100 1.124 6.105 14.728 1.00 1.96 H new ATOM 0 HE21 GLN A 100 3.219 5.389 14.746 1.00 2.35 H new ATOM 0 HE22 GLN A 100 4.552 6.285 15.482 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.317 10.662 16.553 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.409 12.119 16.548 1.00 1.59 C ATOM 1309 C GLU A 101 -0.700 12.707 15.333 1.00 1.58 C ATOM 1310 O GLU A 101 -0.125 13.794 15.401 1.00 1.81 O ATOM 1311 CB GLU A 101 -0.816 12.698 17.838 1.00 1.80 C ATOM 1312 CG GLU A 101 -1.823 13.467 18.679 1.00 2.02 C ATOM 1313 CD GLU A 101 -2.712 12.555 19.500 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -3.488 11.783 18.898 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -2.631 12.611 20.745 1.00 2.68 O ATOM 0 H GLU A 101 -2.199 10.184 16.368 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.463 12.390 16.493 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -0.402 11.885 18.435 1.00 1.80 H new ATOM 0 HB3 GLU A 101 0.012 13.359 17.583 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -1.291 14.146 19.345 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.443 14.081 18.026 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.746 11.982 14.220 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.109 12.432 12.987 1.00 1.36 C ATOM 1324 C LYS A 102 -1.078 12.331 11.809 1.00 1.24 C ATOM 1325 O LYS A 102 -1.902 11.419 11.750 1.00 1.16 O ATOM 1326 CB LYS A 102 1.147 11.605 12.706 1.00 1.37 C ATOM 1327 CG LYS A 102 2.439 12.398 12.846 1.00 1.77 C ATOM 1328 CD LYS A 102 3.299 11.869 13.982 1.00 2.28 C ATOM 1329 CE LYS A 102 2.820 12.381 15.329 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.130 13.826 15.517 1.00 2.36 N ATOM 0 H LYS A 102 -1.218 11.081 14.146 1.00 1.36 H new ATOM 0 HA LYS A 102 0.176 13.477 13.112 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.175 10.757 13.390 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.087 11.199 11.696 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.999 12.350 11.912 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.205 13.448 13.024 1.00 1.77 H new ATOM 0 HD2 LYS A 102 3.279 10.779 13.978 1.00 2.28 H new ATOM 0 HD3 LYS A 102 4.335 12.169 13.825 1.00 2.28 H new ATOM 0 HE2 LYS A 102 1.744 12.227 15.414 1.00 2.19 H new ATOM 0 HE3 LYS A 102 3.289 11.803 16.125 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 3.025 14.076 16.521 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.107 14.014 15.214 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 2.475 14.399 14.947 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.992 13.272 10.852 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.868 13.281 9.674 1.00 1.21 C ATOM 1346 C PRO A 103 -1.842 11.952 8.926 1.00 1.01 C ATOM 1347 O PRO A 103 -0.796 11.313 8.809 1.00 0.97 O ATOM 1348 CB PRO A 103 -1.285 14.396 8.802 1.00 1.28 C ATOM 1349 CG PRO A 103 -0.570 15.290 9.753 1.00 1.36 C ATOM 1350 CD PRO A 103 -0.040 14.399 10.840 1.00 1.42 C ATOM 0 HA PRO A 103 -2.912 13.438 9.944 1.00 1.21 H new ATOM 0 HB2 PRO A 103 -0.606 13.995 8.050 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -2.070 14.933 8.269 1.00 1.28 H new ATOM 0 HG2 PRO A 103 0.240 15.822 9.254 1.00 1.36 H new ATOM 0 HG3 PRO A 103 -1.243 16.044 10.160 1.00 1.36 H new ATOM 0 HD2 PRO A 103 0.975 14.065 10.627 1.00 1.42 H new ATOM 0 HD3 PRO A 103 -0.012 14.911 11.802 1.00 1.42 H new ATOM 1358 N LEU A 104 -3.001 11.543 8.419 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.111 10.290 7.680 1.00 0.93 C ATOM 1360 C LEU A 104 -2.250 10.317 6.419 1.00 0.85 C ATOM 1361 O LEU A 104 -1.933 9.271 5.853 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.571 10.018 7.310 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.357 9.203 8.337 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.838 9.200 7.992 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.822 7.780 8.408 1.00 1.51 C ATOM 0 H LEU A 104 -3.876 12.060 8.506 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.750 9.488 8.324 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -5.076 10.972 7.162 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.596 9.493 6.355 1.00 1.11 H new ATOM 0 HG LEU A 104 -5.233 9.667 9.316 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.383 8.615 8.733 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -7.213 10.223 7.990 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.981 8.759 7.005 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.392 7.213 9.144 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.918 7.306 7.431 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.772 7.800 8.700 1.00 1.51 H new ATOM 1371 N MET A 105 -1.875 11.519 5.982 1.00 0.98 N ATOM 1372 CA MET A 105 -1.049 11.680 4.786 1.00 0.99 C ATOM 1373 C MET A 105 0.130 10.708 4.796 1.00 0.76 C ATOM 1374 O MET A 105 0.141 9.724 4.055 1.00 0.81 O ATOM 1375 CB MET A 105 -0.539 13.120 4.686 1.00 1.22 C ATOM 1376 CG MET A 105 -0.998 13.841 3.429 1.00 1.08 C ATOM 1377 SD MET A 105 -2.657 14.530 3.590 1.00 1.56 S ATOM 1378 CE MET A 105 -3.630 13.034 3.738 1.00 1.27 C ATOM 0 H MET A 105 -2.130 12.395 6.438 1.00 0.98 H new ATOM 0 HA MET A 105 -1.667 11.457 3.916 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.877 13.678 5.559 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.551 13.114 4.714 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.297 14.643 3.198 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.977 13.147 2.589 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.658 13.238 3.440 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.211 12.262 3.092 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.613 12.690 4.772 1.00 1.27 H new ATOM 1388 N ALA A 106 1.115 10.985 5.645 1.00 0.70 N ATOM 1389 CA ALA A 106 2.289 10.128 5.754 1.00 0.63 C ATOM 1390 C ALA A 106 1.883 8.709 6.134 1.00 0.54 C ATOM 1391 O ALA A 106 2.435 7.729 5.625 1.00 0.61 O ATOM 1392 CB ALA A 106 3.262 10.693 6.777 1.00 0.84 C ATOM 0 H ALA A 106 1.123 11.794 6.266 1.00 0.70 H new ATOM 0 HA ALA A 106 2.784 10.095 4.783 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.134 10.043 6.848 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.577 11.690 6.468 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.774 10.752 7.750 1.00 0.84 H new ATOM 1398 N HIS A 107 0.904 8.606 7.031 1.00 0.53 N ATOM 1399 CA HIS A 107 0.409 7.311 7.482 1.00 0.60 C ATOM 1400 C HIS A 107 0.130 6.396 6.296 1.00 0.55 C ATOM 1401 O HIS A 107 0.633 5.277 6.238 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.859 7.483 8.319 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.113 6.344 9.257 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.558 6.268 10.517 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.865 5.226 9.111 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.956 5.154 11.105 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.750 4.506 10.274 1.00 2.34 N ATOM 0 H HIS A 107 0.439 9.406 7.459 1.00 0.53 H new ATOM 0 HA HIS A 107 1.180 6.852 8.101 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.784 8.407 8.893 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.714 7.591 7.651 1.00 0.70 H new ATOM 0 HD2 HIS A 107 -2.446 4.953 8.242 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.679 4.829 12.097 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -2.205 3.613 10.465 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.667 6.883 5.347 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.001 6.105 4.159 1.00 0.46 C ATOM 1418 C TRP A 108 0.265 5.696 3.414 1.00 0.43 C ATOM 1419 O TRP A 108 0.459 4.522 3.095 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.924 6.904 3.235 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.252 6.246 3.017 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.602 5.426 1.982 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.407 6.350 3.855 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -4.906 5.015 2.127 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.421 5.570 3.271 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.682 7.027 5.045 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.686 5.451 3.838 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.940 6.907 5.603 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.927 6.125 5.001 1.00 2.00 C ATOM 0 H TRP A 108 -1.092 7.810 5.378 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.524 5.203 4.477 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -2.082 7.896 3.659 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.432 7.043 2.272 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -2.950 5.142 1.169 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.408 4.398 1.488 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.925 7.633 5.520 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.451 4.846 3.374 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -6.164 7.428 6.522 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.900 6.052 5.464 1.00 2.00 H new ATOM 1440 N ALA A 109 1.133 6.671 3.152 1.00 0.47 N ATOM 1441 CA ALA A 109 2.391 6.409 2.460 1.00 0.51 C ATOM 1442 C ALA A 109 3.116 5.238 3.108 1.00 0.49 C ATOM 1443 O ALA A 109 3.603 4.339 2.424 1.00 0.64 O ATOM 1444 CB ALA A 109 3.269 7.650 2.469 1.00 0.62 C ATOM 0 H ALA A 109 0.988 7.648 3.408 1.00 0.47 H new ATOM 0 HA ALA A 109 2.172 6.150 1.424 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.203 7.438 1.949 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.751 8.466 1.966 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.483 7.937 3.499 1.00 0.62 H new ATOM 1450 N HIS A 110 3.160 5.245 4.435 1.00 0.44 N ATOM 1451 CA HIS A 110 3.800 4.166 5.177 1.00 0.53 C ATOM 1452 C HIS A 110 2.887 2.945 5.207 1.00 0.60 C ATOM 1453 O HIS A 110 3.350 1.805 5.226 1.00 0.86 O ATOM 1454 CB HIS A 110 4.124 4.614 6.604 1.00 0.57 C ATOM 1455 CG HIS A 110 5.287 3.892 7.208 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.559 4.425 7.261 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.369 2.671 7.788 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.371 3.562 7.846 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.673 2.491 8.175 1.00 2.16 N ATOM 0 H HIS A 110 2.762 5.982 5.017 1.00 0.44 H new ATOM 0 HA HIS A 110 4.732 3.904 4.677 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.332 5.684 6.602 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.246 4.462 7.232 1.00 0.57 H new ATOM 0 HD1 HIS A 110 6.830 5.341 6.904 1.00 1.58 H new ATOM 0 HD2 HIS A 110 4.559 1.969 7.921 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.426 3.708 8.025 1.00 1.93 H new ATOM 1468 N MET A 111 1.582 3.200 5.205 1.00 0.50 N ATOM 1469 CA MET A 111 0.586 2.137 5.227 1.00 0.59 C ATOM 1470 C MET A 111 0.714 1.247 3.994 1.00 0.59 C ATOM 1471 O MET A 111 0.509 0.036 4.062 1.00 0.78 O ATOM 1472 CB MET A 111 -0.822 2.738 5.287 1.00 0.63 C ATOM 1473 CG MET A 111 -1.752 2.023 6.252 1.00 1.24 C ATOM 1474 SD MET A 111 -2.615 0.641 5.485 1.00 2.04 S ATOM 1475 CE MET A 111 -1.451 -0.684 5.789 1.00 1.59 C ATOM 0 H MET A 111 1.189 4.141 5.188 1.00 0.50 H new ATOM 0 HA MET A 111 0.757 1.527 6.114 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.748 3.786 5.577 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.260 2.714 4.289 1.00 0.63 H new ATOM 0 HG2 MET A 111 -1.177 1.660 7.104 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.483 2.733 6.640 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.246 -1.210 4.856 1.00 1.59 H new ATOM 0 HE2 MET A 111 -0.523 -0.270 6.183 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.874 -1.381 6.513 1.00 1.59 H new ATOM 1485 N VAL A 112 1.045 1.861 2.863 1.00 0.51 N ATOM 1486 CA VAL A 112 1.188 1.128 1.612 1.00 0.58 C ATOM 1487 C VAL A 112 2.513 0.371 1.543 1.00 0.64 C ATOM 1488 O VAL A 112 2.557 -0.778 1.104 1.00 0.78 O ATOM 1489 CB VAL A 112 1.073 2.066 0.393 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.361 2.539 0.218 1.00 1.46 C ATOM 1491 CG2 VAL A 112 2.017 3.253 0.526 1.00 1.42 C ATOM 0 H VAL A 112 1.219 2.863 2.788 1.00 0.51 H new ATOM 0 HA VAL A 112 0.373 0.405 1.585 1.00 0.58 H new ATOM 0 HB VAL A 112 1.363 1.504 -0.495 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.423 3.200 -0.647 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.012 1.678 0.065 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.678 3.079 1.111 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.916 3.898 -0.347 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.768 3.817 1.425 1.00 1.42 H new ATOM 0 HG23 VAL A 112 3.044 2.895 0.595 1.00 1.42 H new ATOM 1495 N VAL A 113 3.594 1.020 1.969 1.00 0.61 N ATOM 1496 CA VAL A 113 4.915 0.394 1.937 1.00 0.72 C ATOM 1497 C VAL A 113 5.068 -0.678 3.014 1.00 0.82 C ATOM 1498 O VAL A 113 5.583 -1.763 2.742 1.00 1.03 O ATOM 1499 CB VAL A 113 6.055 1.426 2.082 1.00 0.73 C ATOM 1500 CG1 VAL A 113 6.364 2.067 0.738 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.719 2.485 3.119 1.00 0.63 C ATOM 0 H VAL A 113 3.583 1.971 2.338 1.00 0.61 H new ATOM 0 HA VAL A 113 4.993 -0.077 0.957 1.00 0.72 H new ATOM 0 HB VAL A 113 6.943 0.897 2.429 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.169 2.792 0.857 1.00 0.97 H new ATOM 0 HG12 VAL A 113 6.670 1.297 0.030 1.00 0.97 H new ATOM 0 HG13 VAL A 113 5.474 2.572 0.363 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.543 3.194 3.195 1.00 0.63 H new ATOM 0 HG22 VAL A 113 4.813 3.012 2.820 1.00 0.63 H new ATOM 0 HG23 VAL A 113 5.560 2.009 4.087 1.00 0.63 H new ATOM 1505 N HIS A 114 4.628 -0.380 4.233 1.00 0.75 N ATOM 1506 CA HIS A 114 4.736 -1.340 5.327 1.00 0.85 C ATOM 1507 C HIS A 114 3.887 -2.579 5.047 1.00 0.96 C ATOM 1508 O HIS A 114 4.253 -3.692 5.424 1.00 1.08 O ATOM 1509 CB HIS A 114 4.332 -0.688 6.662 1.00 0.89 C ATOM 1510 CG HIS A 114 3.017 -1.155 7.217 1.00 0.99 C ATOM 1511 ND1 HIS A 114 2.918 -2.040 8.270 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.745 -0.856 6.862 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.644 -2.265 8.537 1.00 1.30 C ATOM 1514 NE2 HIS A 114 0.911 -1.559 7.697 1.00 1.36 N ATOM 0 H HIS A 114 4.197 0.509 4.487 1.00 0.75 H new ATOM 0 HA HIS A 114 5.777 -1.655 5.404 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.112 -0.885 7.398 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.290 0.392 6.525 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.706 -2.456 8.766 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.442 -0.188 6.069 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.266 -2.916 9.311 1.00 1.30 H new ATOM 1523 N GLY A 115 2.754 -2.376 4.383 1.00 1.03 N ATOM 1524 CA GLY A 115 1.872 -3.482 4.065 1.00 1.18 C ATOM 1525 C GLY A 115 2.207 -4.142 2.740 1.00 1.20 C ATOM 1526 O GLY A 115 1.847 -5.296 2.508 1.00 1.36 O ATOM 0 H GLY A 115 2.431 -1.464 4.059 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.929 -4.225 4.860 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.843 -3.123 4.037 1.00 1.18 H new ATOM 1530 N SER A 116 2.895 -3.412 1.868 1.00 1.17 N ATOM 1531 CA SER A 116 3.271 -3.940 0.560 1.00 1.26 C ATOM 1532 C SER A 116 4.463 -4.887 0.667 1.00 1.36 C ATOM 1533 O SER A 116 4.501 -5.927 0.009 1.00 1.63 O ATOM 1534 CB SER A 116 3.606 -2.798 -0.398 1.00 1.31 C ATOM 1535 OG SER A 116 2.432 -2.240 -0.962 1.00 1.72 O ATOM 0 H SER A 116 3.203 -2.455 2.042 1.00 1.17 H new ATOM 0 HA SER A 116 2.420 -4.500 0.172 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.160 -2.025 0.134 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.255 -3.165 -1.193 1.00 1.31 H new ATOM 0 HG SER A 116 2.287 -1.343 -0.595 1.00 1.72 H new ATOM 1541 N LEU A 117 5.440 -4.513 1.484 1.00 1.28 N ATOM 1542 CA LEU A 117 6.642 -5.322 1.662 1.00 1.49 C ATOM 1543 C LEU A 117 6.432 -6.427 2.693 1.00 1.69 C ATOM 1544 O LEU A 117 6.663 -7.603 2.413 1.00 1.94 O ATOM 1545 CB LEU A 117 7.811 -4.434 2.089 1.00 1.49 C ATOM 1546 CG LEU A 117 9.197 -5.037 1.863 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.272 -3.985 2.072 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.422 -6.221 2.792 1.00 2.38 C ATOM 0 H LEU A 117 5.425 -3.654 2.035 1.00 1.28 H new ATOM 0 HA LEU A 117 6.868 -5.794 0.706 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.749 -3.491 1.546 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.702 -4.200 3.148 1.00 1.49 H new ATOM 0 HG LEU A 117 9.256 -5.392 0.834 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.253 -4.430 1.907 1.00 2.07 H new ATOM 0 HD12 LEU A 117 10.122 -3.167 1.368 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.213 -3.602 3.091 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.414 -6.638 2.617 1.00 2.38 H new ATOM 0 HD22 LEU A 117 9.345 -5.891 3.828 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.669 -6.984 2.598 1.00 2.38 H new ATOM 1554 N HIS A 118 6.006 -6.042 3.891 1.00 1.70 N ATOM 1555 CA HIS A 118 5.779 -7.000 4.970 1.00 2.04 C ATOM 1556 C HIS A 118 4.851 -8.135 4.538 1.00 2.25 C ATOM 1557 O HIS A 118 4.833 -9.198 5.157 1.00 2.60 O ATOM 1558 CB HIS A 118 5.191 -6.289 6.190 1.00 2.10 C ATOM 1559 CG HIS A 118 4.975 -7.194 7.363 1.00 2.30 C ATOM 1560 ND1 HIS A 118 5.892 -8.145 7.760 1.00 2.63 N ATOM 1561 CD2 HIS A 118 3.936 -7.292 8.228 1.00 2.93 C ATOM 1562 CE1 HIS A 118 5.426 -8.788 8.816 1.00 3.13 C ATOM 1563 NE2 HIS A 118 4.243 -8.289 9.120 1.00 3.28 N ATOM 0 H HIS A 118 5.810 -5.073 4.141 1.00 1.70 H new ATOM 0 HA HIS A 118 6.744 -7.436 5.228 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.858 -5.479 6.485 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.240 -5.834 5.912 1.00 2.10 H new ATOM 0 HD2 HIS A 118 3.035 -6.697 8.217 1.00 2.93 H new ATOM 0 HE1 HIS A 118 5.928 -9.587 9.341 1.00 3.13 H new ATOM 0 HE2 HIS A 118 3.652 -8.595 9.893 1.00 3.28 H new ATOM 1572 N LEU A 119 4.068 -7.902 3.488 1.00 2.15 N ATOM 1573 CA LEU A 119 3.131 -8.909 3.005 1.00 2.45 C ATOM 1574 C LEU A 119 3.746 -9.793 1.920 1.00 2.53 C ATOM 1575 O LEU A 119 3.368 -10.955 1.780 1.00 2.98 O ATOM 1576 CB LEU A 119 1.860 -8.234 2.474 1.00 2.52 C ATOM 1577 CG LEU A 119 0.886 -9.145 1.711 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.347 -9.340 0.273 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.730 -10.490 2.412 1.00 2.27 C ATOM 0 H LEU A 119 4.064 -7.030 2.959 1.00 2.15 H new ATOM 0 HA LEU A 119 2.879 -9.552 3.848 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.328 -7.790 3.316 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.154 -7.416 1.816 1.00 2.52 H new ATOM 0 HG LEU A 119 -0.089 -8.657 1.697 1.00 2.47 H new ATOM 0 HD11 LEU A 119 0.644 -9.988 -0.250 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.392 -8.373 -0.229 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.336 -9.798 0.267 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.035 -11.115 1.850 1.00 2.27 H new ATOM 0 HD22 LEU A 119 1.699 -10.986 2.468 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.344 -10.333 3.419 1.00 2.27 H new ATOM 1585 N LEU A 120 4.677 -9.247 1.141 1.00 2.25 N ATOM 1586 CA LEU A 120 5.294 -10.026 0.071 1.00 2.47 C ATOM 1587 C LEU A 120 6.783 -9.723 -0.086 1.00 2.57 C ATOM 1588 O LEU A 120 7.580 -10.630 -0.327 1.00 3.07 O ATOM 1589 CB LEU A 120 4.567 -9.769 -1.254 1.00 2.62 C ATOM 1590 CG LEU A 120 4.818 -8.395 -1.882 1.00 2.70 C ATOM 1591 CD1 LEU A 120 5.880 -8.490 -2.966 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.527 -7.822 -2.448 1.00 2.88 C ATOM 0 H LEU A 120 5.015 -8.289 1.227 1.00 2.25 H new ATOM 0 HA LEU A 120 5.203 -11.077 0.345 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.865 -10.537 -1.968 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.496 -9.885 -1.090 1.00 2.62 H new ATOM 0 HG LEU A 120 5.180 -7.723 -1.104 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.045 -7.504 -3.401 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.811 -8.856 -2.532 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.546 -9.178 -3.743 1.00 3.20 H new ATOM 0 HD21 LEU A 120 3.725 -6.846 -2.890 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.135 -8.493 -3.212 1.00 2.88 H new ATOM 0 HD23 LEU A 120 2.794 -7.716 -1.648 1.00 2.88 H new ATOM 1598 N GLY A 121 7.156 -8.455 0.035 1.00 2.56 N ATOM 1599 CA GLY A 121 8.551 -8.087 -0.116 1.00 3.27 C ATOM 1600 C GLY A 121 8.902 -7.781 -1.557 1.00 3.49 C ATOM 1601 O GLY A 121 9.626 -8.539 -2.203 1.00 4.12 O ATOM 0 H GLY A 121 6.523 -7.680 0.233 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.765 -7.216 0.503 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.182 -8.899 0.247 1.00 3.27 H new ATOM 1605 N TYR A 122 8.376 -6.672 -2.066 1.00 3.41 N ATOM 1606 CA TYR A 122 8.618 -6.264 -3.449 1.00 4.05 C ATOM 1607 C TYR A 122 10.042 -5.741 -3.665 1.00 4.04 C ATOM 1608 O TYR A 122 10.323 -5.104 -4.679 1.00 4.29 O ATOM 1609 CB TYR A 122 7.600 -5.201 -3.879 1.00 4.92 C ATOM 1610 CG TYR A 122 7.542 -3.990 -2.972 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.766 -3.997 -1.818 1.00 5.07 C ATOM 1612 CD2 TYR A 122 8.255 -2.836 -3.272 1.00 5.29 C ATOM 1613 CE1 TYR A 122 6.705 -2.892 -0.990 1.00 5.49 C ATOM 1614 CE2 TYR A 122 8.198 -1.726 -2.450 1.00 5.72 C ATOM 1615 CZ TYR A 122 7.422 -1.760 -1.311 1.00 5.83 C ATOM 1616 OH TYR A 122 7.362 -0.657 -0.490 1.00 6.50 O ATOM 0 H TYR A 122 7.776 -6.036 -1.540 1.00 3.41 H new ATOM 0 HA TYR A 122 8.500 -7.154 -4.067 1.00 4.05 H new ATOM 0 HB2 TYR A 122 7.841 -4.872 -4.890 1.00 4.92 H new ATOM 0 HB3 TYR A 122 6.611 -5.657 -3.920 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.201 -4.882 -1.564 1.00 5.07 H new ATOM 0 HD2 TYR A 122 8.865 -2.806 -4.163 1.00 5.29 H new ATOM 0 HE1 TYR A 122 6.099 -2.916 -0.096 1.00 5.49 H new ATOM 0 HE2 TYR A 122 8.758 -0.837 -2.699 1.00 5.72 H new ATOM 0 HH TYR A 122 8.092 -0.042 -0.714 1.00 6.50 H new ATOM 1626 N ASP A 123 10.942 -6.019 -2.723 1.00 4.20 N ATOM 1627 CA ASP A 123 12.328 -5.578 -2.841 1.00 4.65 C ATOM 1628 C ASP A 123 13.201 -6.676 -3.449 1.00 4.02 C ATOM 1629 O ASP A 123 14.421 -6.667 -3.291 1.00 4.67 O ATOM 1630 CB ASP A 123 12.877 -5.182 -1.469 1.00 5.43 C ATOM 1631 CG ASP A 123 13.777 -3.963 -1.535 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.390 -3.736 -2.598 1.00 6.57 O ATOM 1633 OD2 ASP A 123 13.869 -3.237 -0.523 1.00 6.82 O ATOM 0 H ASP A 123 10.736 -6.545 -1.874 1.00 4.20 H new ATOM 0 HA ASP A 123 12.351 -4.711 -3.501 1.00 4.65 H new ATOM 0 HB2 ASP A 123 12.046 -4.980 -0.793 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.434 -6.019 -1.048 1.00 5.43 H new ATOM 1638 N HIS A 124 12.568 -7.622 -4.140 1.00 2.97 N ATOM 1639 CA HIS A 124 13.290 -8.725 -4.764 1.00 2.45 C ATOM 1640 C HIS A 124 14.059 -8.259 -5.996 1.00 2.10 C ATOM 1641 O HIS A 124 14.028 -7.082 -6.352 1.00 2.45 O ATOM 1642 CB HIS A 124 12.323 -9.847 -5.147 1.00 2.23 C ATOM 1643 CG HIS A 124 11.300 -9.444 -6.166 1.00 2.36 C ATOM 1644 ND1 HIS A 124 11.070 -8.133 -6.531 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.440 -10.192 -6.900 1.00 2.98 C ATOM 1646 CE1 HIS A 124 10.115 -8.092 -7.443 1.00 2.83 C ATOM 1647 NE2 HIS A 124 9.717 -9.328 -7.684 1.00 3.06 N ATOM 0 H HIS A 124 11.558 -7.646 -4.281 1.00 2.97 H new ATOM 0 HA HIS A 124 14.008 -9.104 -4.037 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.895 -10.690 -5.534 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.811 -10.194 -4.250 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.342 -11.267 -6.873 1.00 2.98 H new ATOM 0 HE1 HIS A 124 9.726 -7.200 -7.911 1.00 2.83 H new ATOM 0 HE2 HIS A 124 8.989 -9.597 -8.346 1.00 3.06 H new ATOM 1656 N ILE A 125 14.751 -9.197 -6.639 1.00 1.91 N ATOM 1657 CA ILE A 125 15.537 -8.896 -7.831 1.00 2.11 C ATOM 1658 C ILE A 125 16.637 -7.888 -7.514 1.00 2.10 C ATOM 1659 O ILE A 125 16.453 -6.992 -6.690 1.00 1.90 O ATOM 1660 CB ILE A 125 14.665 -8.347 -8.982 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.301 -9.039 -9.008 1.00 2.52 C ATOM 1662 CG2 ILE A 125 15.374 -8.535 -10.315 1.00 2.86 C ATOM 1663 CD1 ILE A 125 12.265 -8.300 -9.828 1.00 3.27 C ATOM 0 H ILE A 125 14.783 -10.175 -6.352 1.00 1.91 H new ATOM 0 HA ILE A 125 15.981 -9.837 -8.156 1.00 2.11 H new ATOM 0 HB ILE A 125 14.506 -7.282 -8.813 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.420 -10.045 -9.410 1.00 2.52 H new ATOM 0 HG13 ILE A 125 12.936 -9.145 -7.986 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.749 -8.144 -11.118 1.00 2.86 H new ATOM 0 HG22 ILE A 125 16.323 -8.000 -10.301 1.00 2.86 H new ATOM 0 HG23 ILE A 125 15.558 -9.596 -10.483 1.00 2.86 H new ATOM 0 HD11 ILE A 125 11.323 -8.847 -9.802 1.00 3.27 H new ATOM 0 HD12 ILE A 125 12.117 -7.303 -9.414 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.608 -8.217 -10.859 1.00 3.27 H new ATOM 1667 N GLU A 126 17.785 -8.047 -8.162 1.00 2.54 N ATOM 1668 CA GLU A 126 18.916 -7.155 -7.938 1.00 2.75 C ATOM 1669 C GLU A 126 19.201 -6.280 -9.160 1.00 2.70 C ATOM 1670 O GLU A 126 20.072 -5.411 -9.115 1.00 2.83 O ATOM 1671 CB GLU A 126 20.163 -7.968 -7.584 1.00 3.67 C ATOM 1672 CG GLU A 126 20.635 -8.877 -8.708 1.00 4.39 C ATOM 1673 CD GLU A 126 22.108 -8.700 -9.021 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.927 -8.753 -8.079 1.00 5.87 O ATOM 1675 OE2 GLU A 126 22.444 -8.511 -10.210 1.00 6.01 O ATOM 0 H GLU A 126 17.957 -8.784 -8.846 1.00 2.54 H new ATOM 0 HA GLU A 126 18.657 -6.498 -7.108 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.969 -7.284 -7.318 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.954 -8.573 -6.702 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.448 -9.915 -8.434 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.050 -8.674 -9.605 1.00 4.39 H new ATOM 1682 N ASP A 127 18.482 -6.519 -10.253 1.00 2.79 N ATOM 1683 CA ASP A 127 18.688 -5.752 -11.477 1.00 3.14 C ATOM 1684 C ASP A 127 17.819 -4.494 -11.523 1.00 2.88 C ATOM 1685 O ASP A 127 18.330 -3.376 -11.449 1.00 3.08 O ATOM 1686 CB ASP A 127 18.398 -6.627 -12.700 1.00 3.66 C ATOM 1687 CG ASP A 127 19.644 -6.907 -13.519 1.00 4.67 C ATOM 1688 OD1 ASP A 127 20.419 -5.959 -13.765 1.00 5.15 O ATOM 1689 OD2 ASP A 127 19.844 -8.075 -13.914 1.00 5.29 O ATOM 0 H ASP A 127 17.756 -7.233 -10.316 1.00 2.79 H new ATOM 0 HA ASP A 127 19.730 -5.433 -11.489 1.00 3.14 H new ATOM 0 HB2 ASP A 127 17.962 -7.571 -12.373 1.00 3.66 H new ATOM 0 HB3 ASP A 127 17.656 -6.134 -13.329 1.00 3.66 H new ATOM 1694 N ASP A 128 16.511 -4.681 -11.671 1.00 2.70 N ATOM 1695 CA ASP A 128 15.583 -3.556 -11.758 1.00 2.87 C ATOM 1696 C ASP A 128 14.926 -3.234 -10.416 1.00 2.37 C ATOM 1697 O ASP A 128 15.329 -2.297 -9.727 1.00 2.51 O ATOM 1698 CB ASP A 128 14.508 -3.841 -12.809 1.00 3.34 C ATOM 1699 CG ASP A 128 15.069 -3.871 -14.218 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.097 -4.546 -14.433 1.00 4.30 O ATOM 1701 OD2 ASP A 128 14.480 -3.219 -15.106 1.00 4.15 O ATOM 0 H ASP A 128 16.069 -5.598 -11.733 1.00 2.70 H new ATOM 0 HA ASP A 128 16.165 -2.683 -12.052 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.034 -4.798 -12.589 1.00 3.34 H new ATOM 0 HB3 ASP A 128 13.732 -3.079 -12.746 1.00 3.34 H new ATOM 1706 N GLU A 129 13.893 -4.001 -10.072 1.00 2.02 N ATOM 1707 CA GLU A 129 13.143 -3.795 -8.831 1.00 1.94 C ATOM 1708 C GLU A 129 14.051 -3.449 -7.653 1.00 1.62 C ATOM 1709 O GLU A 129 13.655 -2.707 -6.756 1.00 1.65 O ATOM 1710 CB GLU A 129 12.316 -5.039 -8.500 1.00 2.14 C ATOM 1711 CG GLU A 129 11.245 -4.792 -7.450 1.00 3.04 C ATOM 1712 CD GLU A 129 10.095 -3.956 -7.979 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.838 -4.006 -9.200 1.00 4.72 O ATOM 1714 OE2 GLU A 129 9.452 -3.254 -7.171 1.00 4.68 O ATOM 0 H GLU A 129 13.553 -4.777 -10.640 1.00 2.02 H new ATOM 0 HA GLU A 129 12.481 -2.945 -8.995 1.00 1.94 H new ATOM 0 HB2 GLU A 129 11.843 -5.404 -9.411 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.983 -5.827 -8.149 1.00 2.14 H new ATOM 0 HG2 GLU A 129 10.861 -5.748 -7.095 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.691 -4.289 -6.592 1.00 3.04 H new ATOM 1721 N ALA A 130 15.265 -3.984 -7.653 1.00 1.57 N ATOM 1722 CA ALA A 130 16.208 -3.715 -6.573 1.00 1.56 C ATOM 1723 C ALA A 130 16.427 -2.215 -6.395 1.00 1.41 C ATOM 1724 O ALA A 130 15.903 -1.608 -5.458 1.00 1.33 O ATOM 1725 CB ALA A 130 17.529 -4.418 -6.840 1.00 1.92 C ATOM 0 H ALA A 130 15.619 -4.603 -8.383 1.00 1.57 H new ATOM 0 HA ALA A 130 15.784 -4.104 -5.647 1.00 1.56 H new ATOM 0 HB1 ALA A 130 18.223 -4.209 -6.026 1.00 1.92 H new ATOM 0 HB2 ALA A 130 17.362 -5.493 -6.907 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.950 -4.057 -7.778 1.00 1.92 H new ATOM 1731 N GLU A 131 17.197 -1.623 -7.302 1.00 1.46 N ATOM 1732 CA GLU A 131 17.479 -0.193 -7.248 1.00 1.46 C ATOM 1733 C GLU A 131 16.184 0.615 -7.253 1.00 1.38 C ATOM 1734 O GLU A 131 16.027 1.564 -6.484 1.00 1.37 O ATOM 1735 CB GLU A 131 18.362 0.219 -8.429 1.00 1.66 C ATOM 1736 CG GLU A 131 19.712 0.779 -8.012 1.00 1.92 C ATOM 1737 CD GLU A 131 19.759 2.294 -8.074 1.00 2.55 C ATOM 1738 OE1 GLU A 131 19.141 2.943 -7.204 1.00 2.84 O ATOM 1739 OE2 GLU A 131 20.412 2.830 -8.992 1.00 3.30 O ATOM 0 H GLU A 131 17.637 -2.111 -8.083 1.00 1.46 H new ATOM 0 HA GLU A 131 18.011 0.015 -6.320 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.520 -0.646 -9.073 1.00 1.66 H new ATOM 0 HB3 GLU A 131 17.835 0.966 -9.022 1.00 1.66 H new ATOM 0 HG2 GLU A 131 19.938 0.453 -6.997 1.00 1.92 H new ATOM 0 HG3 GLU A 131 20.487 0.368 -8.659 1.00 1.92 H new ATOM 1746 N GLU A 132 15.257 0.225 -8.124 1.00 1.44 N ATOM 1747 CA GLU A 132 13.971 0.904 -8.231 1.00 1.53 C ATOM 1748 C GLU A 132 13.262 0.934 -6.881 1.00 1.29 C ATOM 1749 O GLU A 132 12.946 2.002 -6.360 1.00 1.22 O ATOM 1750 CB GLU A 132 13.090 0.210 -9.272 1.00 1.86 C ATOM 1751 CG GLU A 132 13.088 0.900 -10.626 1.00 2.46 C ATOM 1752 CD GLU A 132 14.430 0.810 -11.327 1.00 2.96 C ATOM 1753 OE1 GLU A 132 15.467 0.848 -10.633 1.00 3.37 O ATOM 1754 OE2 GLU A 132 14.442 0.701 -12.572 1.00 3.44 O ATOM 0 H GLU A 132 15.374 -0.559 -8.766 1.00 1.44 H new ATOM 0 HA GLU A 132 14.152 1.931 -8.549 1.00 1.53 H new ATOM 0 HB2 GLU A 132 13.432 -0.817 -9.398 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.068 0.162 -8.897 1.00 1.86 H new ATOM 0 HG2 GLU A 132 12.321 0.451 -11.258 1.00 2.46 H new ATOM 0 HG3 GLU A 132 12.820 1.948 -10.495 1.00 2.46 H new ATOM 1761 N MET A 133 13.023 -0.246 -6.316 1.00 1.28 N ATOM 1762 CA MET A 133 12.357 -0.352 -5.024 1.00 1.23 C ATOM 1763 C MET A 133 13.143 0.394 -3.952 1.00 0.98 C ATOM 1764 O MET A 133 12.577 1.162 -3.175 1.00 0.92 O ATOM 1765 CB MET A 133 12.192 -1.819 -4.622 1.00 1.53 C ATOM 1766 CG MET A 133 11.162 -2.038 -3.526 1.00 1.39 C ATOM 1767 SD MET A 133 11.757 -1.538 -1.898 1.00 2.20 S ATOM 1768 CE MET A 133 10.950 -2.746 -0.852 1.00 2.47 C ATOM 0 H MET A 133 13.281 -1.141 -6.733 1.00 1.28 H new ATOM 0 HA MET A 133 11.370 0.101 -5.115 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.904 -2.397 -5.500 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.154 -2.206 -4.287 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.258 -1.477 -3.766 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.885 -3.092 -3.499 1.00 1.39 H new ATOM 0 HE1 MET A 133 11.644 -3.082 -0.082 1.00 2.47 H new ATOM 0 HE2 MET A 133 10.077 -2.294 -0.381 1.00 2.47 H new ATOM 0 HE3 MET A 133 10.637 -3.598 -1.455 1.00 2.47 H new ATOM 1778 N GLU A 134 14.453 0.166 -3.917 1.00 1.00 N ATOM 1779 CA GLU A 134 15.315 0.821 -2.940 1.00 0.98 C ATOM 1780 C GLU A 134 15.155 2.336 -3.007 1.00 0.85 C ATOM 1781 O GLU A 134 14.737 2.972 -2.037 1.00 0.92 O ATOM 1782 CB GLU A 134 16.778 0.440 -3.182 1.00 1.17 C ATOM 1783 CG GLU A 134 17.221 -0.793 -2.413 1.00 1.00 C ATOM 1784 CD GLU A 134 18.721 -0.840 -2.200 1.00 1.57 C ATOM 1785 OE1 GLU A 134 19.458 -0.978 -3.199 1.00 2.11 O ATOM 1786 OE2 GLU A 134 19.159 -0.736 -1.035 1.00 2.40 O ATOM 0 H GLU A 134 14.939 -0.466 -4.553 1.00 1.00 H new ATOM 0 HA GLU A 134 15.019 0.484 -1.946 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.928 0.267 -4.248 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.414 1.280 -2.903 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.720 -0.813 -1.445 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.906 -1.686 -2.953 1.00 1.00 H new ATOM 1793 N SER A 135 15.485 2.908 -4.161 1.00 0.80 N ATOM 1794 CA SER A 135 15.375 4.346 -4.359 1.00 0.84 C ATOM 1795 C SER A 135 13.929 4.806 -4.198 1.00 0.80 C ATOM 1796 O SER A 135 13.657 5.805 -3.533 1.00 0.82 O ATOM 1797 CB SER A 135 15.895 4.734 -5.745 1.00 0.97 C ATOM 1798 OG SER A 135 17.307 4.636 -5.806 1.00 1.29 O ATOM 0 H SER A 135 15.831 2.396 -4.972 1.00 0.80 H new ATOM 0 HA SER A 135 15.983 4.840 -3.601 1.00 0.84 H new ATOM 0 HB2 SER A 135 15.449 4.085 -6.499 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.588 5.753 -5.980 1.00 0.97 H new ATOM 0 HG SER A 135 17.559 3.909 -6.413 1.00 1.29 H new ATOM 1804 N LEU A 136 13.007 4.072 -4.813 1.00 0.81 N ATOM 1805 CA LEU A 136 11.588 4.405 -4.737 1.00 0.87 C ATOM 1806 C LEU A 136 11.131 4.519 -3.287 1.00 0.73 C ATOM 1807 O LEU A 136 10.677 5.576 -2.853 1.00 0.85 O ATOM 1808 CB LEU A 136 10.756 3.345 -5.469 1.00 0.98 C ATOM 1809 CG LEU A 136 9.235 3.512 -5.378 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.717 2.995 -4.046 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.837 4.968 -5.579 1.00 1.73 C ATOM 0 H LEU A 136 13.216 3.243 -5.369 1.00 0.81 H new ATOM 0 HA LEU A 136 11.439 5.371 -5.219 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.041 3.349 -6.521 1.00 0.98 H new ATOM 0 HB3 LEU A 136 11.020 2.365 -5.071 1.00 0.98 H new ATOM 0 HG LEU A 136 8.781 2.922 -6.175 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.635 3.123 -4.002 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.962 1.938 -3.946 1.00 1.17 H new ATOM 0 HD13 LEU A 136 9.182 3.553 -3.233 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.753 5.062 -5.510 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.304 5.582 -4.809 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.168 5.303 -6.562 1.00 1.73 H new ATOM 1817 N GLU A 137 11.261 3.426 -2.541 1.00 0.57 N ATOM 1818 CA GLU A 137 10.864 3.404 -1.137 1.00 0.51 C ATOM 1819 C GLU A 137 11.646 4.434 -0.336 1.00 0.52 C ATOM 1820 O GLU A 137 11.066 5.248 0.385 1.00 0.53 O ATOM 1821 CB GLU A 137 11.081 2.010 -0.545 1.00 0.52 C ATOM 1822 CG GLU A 137 10.194 1.711 0.652 1.00 1.16 C ATOM 1823 CD GLU A 137 10.831 2.117 1.968 1.00 1.87 C ATOM 1824 OE1 GLU A 137 11.836 2.858 1.939 1.00 2.45 O ATOM 1825 OE2 GLU A 137 10.322 1.696 3.028 1.00 2.54 O ATOM 0 H GLU A 137 11.638 2.543 -2.886 1.00 0.57 H new ATOM 0 HA GLU A 137 9.805 3.654 -1.081 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.897 1.264 -1.318 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.125 1.910 -0.247 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.245 2.234 0.536 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.969 0.645 0.675 1.00 1.16 H new ATOM 1832 N THR A 138 12.966 4.394 -0.466 1.00 0.57 N ATOM 1833 CA THR A 138 13.831 5.323 0.246 1.00 0.67 C ATOM 1834 C THR A 138 13.440 6.772 -0.046 1.00 0.69 C ATOM 1835 O THR A 138 13.645 7.658 0.783 1.00 0.77 O ATOM 1836 CB THR A 138 15.289 5.085 -0.146 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.721 3.807 0.282 1.00 0.85 O ATOM 1838 CG2 THR A 138 16.238 6.108 0.436 1.00 1.10 C ATOM 0 H THR A 138 13.460 3.727 -1.059 1.00 0.57 H new ATOM 0 HA THR A 138 13.712 5.148 1.315 1.00 0.67 H new ATOM 0 HB THR A 138 15.313 5.166 -1.233 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.516 3.144 -0.410 1.00 0.85 H new ATOM 0 HG21 THR A 138 17.256 5.881 0.119 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.961 7.102 0.085 1.00 1.10 H new ATOM 0 HG23 THR A 138 16.182 6.079 1.524 1.00 1.10 H new ATOM 1843 N GLN A 139 12.884 7.006 -1.230 1.00 0.70 N ATOM 1844 CA GLN A 139 12.477 8.348 -1.627 1.00 0.79 C ATOM 1845 C GLN A 139 11.171 8.762 -0.952 1.00 0.67 C ATOM 1846 O GLN A 139 11.109 9.803 -0.300 1.00 0.67 O ATOM 1847 CB GLN A 139 12.334 8.433 -3.147 1.00 0.92 C ATOM 1848 CG GLN A 139 12.245 9.857 -3.669 1.00 1.04 C ATOM 1849 CD GLN A 139 12.514 9.951 -5.158 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.191 9.099 -5.734 1.00 2.28 O ATOM 1851 NE2 GLN A 139 11.982 10.991 -5.792 1.00 1.28 N ATOM 0 H GLN A 139 12.705 6.285 -1.930 1.00 0.70 H new ATOM 0 HA GLN A 139 13.255 9.039 -1.302 1.00 0.79 H new ATOM 0 HB2 GLN A 139 13.186 7.937 -3.612 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.441 7.887 -3.451 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.253 10.256 -3.457 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.961 10.481 -3.134 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.427 11.674 -5.276 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.128 11.106 -6.795 1.00 1.28 H new ATOM 1858 N ILE A 140 10.127 7.951 -1.107 1.00 0.60 N ATOM 1859 CA ILE A 140 8.836 8.269 -0.496 1.00 0.52 C ATOM 1860 C ILE A 140 8.941 8.248 1.025 1.00 0.47 C ATOM 1861 O ILE A 140 8.222 8.968 1.713 1.00 0.48 O ATOM 1862 CB ILE A 140 7.691 7.308 -0.924 1.00 0.49 C ATOM 1863 CG1 ILE A 140 8.079 6.477 -2.152 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.420 8.103 -1.196 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.919 5.727 -2.776 1.00 1.12 C ATOM 0 H ILE A 140 10.146 7.082 -1.641 1.00 0.60 H new ATOM 0 HA ILE A 140 8.584 9.267 -0.854 1.00 0.52 H new ATOM 0 HB ILE A 140 7.510 6.613 -0.104 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.518 7.136 -2.901 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.850 5.762 -1.866 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.623 7.423 -1.495 1.00 0.52 H new ATOM 0 HG22 ILE A 140 6.123 8.635 -0.292 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.604 8.821 -1.995 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.273 5.163 -3.639 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.493 5.041 -2.044 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.156 6.437 -3.095 1.00 1.12 H new ATOM 1869 N MET A 141 9.835 7.410 1.541 1.00 0.47 N ATOM 1870 CA MET A 141 10.026 7.290 2.983 1.00 0.51 C ATOM 1871 C MET A 141 11.008 8.333 3.517 1.00 0.62 C ATOM 1872 O MET A 141 10.654 9.159 4.357 1.00 0.71 O ATOM 1873 CB MET A 141 10.517 5.885 3.333 1.00 0.51 C ATOM 1874 CG MET A 141 9.408 4.845 3.370 1.00 0.53 C ATOM 1875 SD MET A 141 8.557 4.681 1.789 1.00 1.02 S ATOM 1876 CE MET A 141 7.061 5.615 2.107 1.00 0.44 C ATOM 0 H MET A 141 10.438 6.805 0.983 1.00 0.47 H new ATOM 0 HA MET A 141 9.061 7.469 3.458 1.00 0.51 H new ATOM 0 HB2 MET A 141 11.267 5.579 2.604 1.00 0.51 H new ATOM 0 HB3 MET A 141 11.010 5.913 4.305 1.00 0.51 H new ATOM 0 HG2 MET A 141 9.829 3.880 3.653 1.00 0.53 H new ATOM 0 HG3 MET A 141 8.686 5.116 4.140 1.00 0.53 H new ATOM 0 HE1 MET A 141 6.322 5.391 1.338 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.662 5.342 3.084 1.00 0.44 H new ATOM 0 HE3 MET A 141 7.288 6.681 2.093 1.00 0.44 H new ATOM 1886 N GLN A 142 12.247 8.275 3.036 1.00 0.66 N ATOM 1887 CA GLN A 142 13.289 9.200 3.478 1.00 0.79 C ATOM 1888 C GLN A 142 13.116 10.594 2.874 1.00 0.80 C ATOM 1889 O GLN A 142 13.693 11.563 3.366 1.00 0.85 O ATOM 1890 CB GLN A 142 14.670 8.647 3.117 1.00 0.90 C ATOM 1891 CG GLN A 142 15.757 9.031 4.108 1.00 1.34 C ATOM 1892 CD GLN A 142 16.807 7.951 4.268 1.00 1.47 C ATOM 1893 OE1 GLN A 142 18.005 8.208 4.140 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.364 6.731 4.552 1.00 1.85 N ATOM 0 H GLN A 142 12.555 7.597 2.339 1.00 0.66 H new ATOM 0 HA GLN A 142 13.201 9.296 4.560 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.613 7.560 3.056 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.949 9.007 2.127 1.00 0.90 H new ATOM 0 HG2 GLN A 142 16.236 9.952 3.777 1.00 1.34 H new ATOM 0 HG3 GLN A 142 15.303 9.238 5.077 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.363 6.562 4.649 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.025 5.964 4.673 1.00 1.85 H new ATOM 1901 N GLY A 143 12.335 10.692 1.803 1.00 0.79 N ATOM 1902 CA GLY A 143 12.128 11.977 1.156 1.00 0.84 C ATOM 1903 C GLY A 143 10.980 12.775 1.751 1.00 0.81 C ATOM 1904 O GLY A 143 10.406 13.631 1.080 1.00 1.05 O ATOM 0 H GLY A 143 11.843 9.909 1.372 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.044 12.563 1.228 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.936 11.815 0.095 1.00 0.84 H new ATOM 1908 N LEU A 144 10.640 12.501 3.009 1.00 0.75 N ATOM 1909 CA LEU A 144 9.550 13.213 3.671 1.00 0.72 C ATOM 1910 C LEU A 144 9.772 13.302 5.177 1.00 0.87 C ATOM 1911 O LEU A 144 9.532 14.342 5.790 1.00 1.01 O ATOM 1912 CB LEU A 144 8.216 12.518 3.396 1.00 0.62 C ATOM 1913 CG LEU A 144 7.593 12.817 2.031 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.475 11.543 1.211 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.231 13.474 2.194 1.00 0.81 C ATOM 0 H LEU A 144 11.100 11.797 3.586 1.00 0.75 H new ATOM 0 HA LEU A 144 9.528 14.224 3.265 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.361 11.441 3.483 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.507 12.808 4.172 1.00 0.62 H new ATOM 0 HG LEU A 144 8.245 13.511 1.501 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.030 11.773 0.243 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.466 11.113 1.062 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.845 10.827 1.739 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.806 13.678 1.211 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.568 12.806 2.745 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.342 14.409 2.743 1.00 0.81 H new ATOM 1921 N GLY A 145 10.211 12.200 5.771 1.00 0.91 N ATOM 1922 CA GLY A 145 10.434 12.170 7.204 1.00 1.11 C ATOM 1923 C GLY A 145 9.163 11.829 7.955 1.00 1.11 C ATOM 1924 O GLY A 145 8.437 12.717 8.399 1.00 1.24 O ATOM 0 H GLY A 145 10.417 11.326 5.287 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.205 11.436 7.438 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.806 13.139 7.536 1.00 1.11 H new ATOM 1928 N PHE A 146 8.888 10.535 8.084 1.00 1.15 N ATOM 1929 CA PHE A 146 7.688 10.073 8.769 1.00 1.25 C ATOM 1930 C PHE A 146 7.832 10.220 10.281 1.00 1.47 C ATOM 1931 O PHE A 146 6.952 10.772 10.939 1.00 99.99 O ATOM 1932 CB PHE A 146 7.400 8.613 8.410 1.00 1.63 C ATOM 1933 CG PHE A 146 6.965 8.415 6.982 1.00 1.09 C ATOM 1934 CD1 PHE A 146 7.740 8.887 5.935 1.00 1.15 C ATOM 1935 CD2 PHE A 146 5.782 7.754 6.685 1.00 1.74 C ATOM 1936 CE1 PHE A 146 7.347 8.706 4.626 1.00 1.15 C ATOM 1937 CE2 PHE A 146 5.385 7.570 5.375 1.00 1.65 C ATOM 1938 CZ PHE A 146 6.170 8.047 4.344 1.00 0.93 C ATOM 0 H PHE A 146 9.481 9.788 7.723 1.00 1.15 H new ATOM 0 HA PHE A 146 6.852 10.692 8.441 1.00 1.25 H new ATOM 0 HB2 PHE A 146 8.296 8.020 8.593 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.624 8.231 9.073 1.00 1.63 H new ATOM 0 HD1 PHE A 146 8.664 9.404 6.147 1.00 1.15 H new ATOM 0 HD2 PHE A 146 5.164 7.379 7.488 1.00 1.74 H new ATOM 0 HE1 PHE A 146 7.962 9.081 3.821 1.00 1.15 H new ATOM 0 HE2 PHE A 146 4.462 7.054 5.157 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.862 7.904 3.319 1.00 0.93 H new TER 1948 PHE A 146