USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 840 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 51 SER OG : rot 180:sc= 0.0711 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.00262 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 39 SER OG : rot 80:sc= 1.28 USER MOD Set 3.1: A 23 ASN :FLIP amide:sc= -0.0258 F(o=-0.9,f=-0.026) USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 1 GLN N :NH3+ 172:sc= -0.294 (180deg=-0.427) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 47:sc= 1.11 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -140:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.324 X(o=0.32,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.9 K(o=0.9,f=-0.58) USER MOD Single : A 32 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5.5!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.66 K(o=0.66,f=-0.32) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.35) USER MOD Single : A 63 THR OG1 : rot -62:sc= 1.29 USER MOD Single : A 64 GLN : amide:sc= 0.258 X(o=0.26,f=-0.23) USER MOD Single : A 66 ASN : amide:sc= 1.29 K(o=1.3,f=-0.3) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.163 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.549 K(o=-0.55,f=-5.4!) USER MOD Single : A 84 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.18) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.495 K(o=0.5,f=-2.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 71:sc= 0.00485 USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.091) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 38:sc= 0.562 USER MOD Single : A 115 ASN : amide:sc= -0.175 K(o=-0.18,f=-3.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 40:sc= 0.602 USER MOD Single : A 127 SER OG : rot -44:sc= 0.439 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -41.265 66.709 16.069 1.00 51.22 N ATOM 2 CA GLN A 1 -42.251 66.410 17.107 1.00 52.15 C ATOM 3 C GLN A 1 -42.557 64.898 17.162 1.00 61.34 C ATOM 4 O GLN A 1 -43.684 64.493 16.877 1.00 52.45 O ATOM 5 CB GLN A 1 -43.491 67.280 16.819 1.00 13.21 C ATOM 6 CG GLN A 1 -44.588 67.220 17.898 1.00 55.04 C ATOM 7 CD GLN A 1 -45.972 67.013 17.290 1.00 22.14 C ATOM 8 OE1 GLN A 1 -46.782 67.922 17.226 1.00 74.31 O ATOM 9 NE2 GLN A 1 -46.253 65.825 16.789 1.00 53.15 N ATOM 0 H1 GLN A 1 -41.177 67.740 15.960 1.00 51.22 H new ATOM 0 H2 GLN A 1 -40.344 66.310 16.340 1.00 51.22 H new ATOM 0 H3 GLN A 1 -41.572 66.291 15.168 1.00 51.22 H new ATOM 0 HA GLN A 1 -41.872 66.653 18.100 1.00 52.15 H new ATOM 0 HB2 GLN A 1 -43.172 68.316 16.703 1.00 13.21 H new ATOM 0 HB3 GLN A 1 -43.921 66.971 15.866 1.00 13.21 H new ATOM 0 HG2 GLN A 1 -44.371 66.408 18.592 1.00 55.04 H new ATOM 0 HG3 GLN A 1 -44.580 68.144 18.476 1.00 55.04 H new ATOM 0 HE21 GLN A 1 -45.568 65.072 16.848 1.00 53.15 H new ATOM 0 HE22 GLN A 1 -47.155 65.660 16.343 1.00 53.15 H new ATOM 16 N ALA A 2 -41.609 64.053 17.596 1.00 43.31 N ATOM 17 CA ALA A 2 -41.885 62.673 18.006 1.00 43.44 C ATOM 18 C ALA A 2 -40.853 62.242 19.051 1.00 52.01 C ATOM 19 O ALA A 2 -39.783 62.845 19.141 1.00 64.45 O ATOM 20 CB ALA A 2 -41.831 61.723 16.803 1.00 40.24 C ATOM 0 H ALA A 2 -40.625 64.312 17.672 1.00 43.31 H new ATOM 0 HA ALA A 2 -42.887 62.628 18.432 1.00 43.44 H new ATOM 0 HB1 ALA A 2 -42.039 60.705 17.133 1.00 40.24 H new ATOM 0 HB2 ALA A 2 -42.576 62.025 16.067 1.00 40.24 H new ATOM 0 HB3 ALA A 2 -40.839 61.762 16.352 1.00 40.24 H new ATOM 26 N GLN A 3 -41.181 61.190 19.803 1.00 22.40 N ATOM 27 CA GLN A 3 -40.315 60.429 20.696 1.00 15.43 C ATOM 28 C GLN A 3 -41.016 59.077 20.922 1.00 62.51 C ATOM 29 O GLN A 3 -42.162 58.908 20.499 1.00 54.33 O ATOM 30 CB GLN A 3 -40.095 61.225 22.001 1.00 33.24 C ATOM 31 CG GLN A 3 -38.948 60.689 22.871 1.00 33.10 C ATOM 32 CD GLN A 3 -38.530 61.722 23.915 1.00 63.54 C ATOM 33 OE1 GLN A 3 -39.049 61.752 25.020 1.00 55.03 O ATOM 34 NE2 GLN A 3 -37.593 62.602 23.590 1.00 35.14 N ATOM 0 H GLN A 3 -42.132 60.822 19.801 1.00 22.40 H new ATOM 0 HA GLN A 3 -39.322 60.255 20.281 1.00 15.43 H new ATOM 0 HB2 GLN A 3 -39.892 62.266 21.750 1.00 33.24 H new ATOM 0 HB3 GLN A 3 -41.016 61.211 22.583 1.00 33.24 H new ATOM 0 HG2 GLN A 3 -39.261 59.770 23.367 1.00 33.10 H new ATOM 0 HG3 GLN A 3 -38.095 60.437 22.241 1.00 33.10 H new ATOM 0 HE21 GLN A 3 -37.163 62.572 22.665 1.00 35.14 H new ATOM 0 HE22 GLN A 3 -37.302 63.309 24.265 1.00 35.14 H new ATOM 41 N GLY A 4 -40.359 58.113 21.567 1.00 20.44 N ATOM 42 CA GLY A 4 -40.911 56.793 21.831 1.00 12.11 C ATOM 43 C GLY A 4 -39.891 55.952 22.589 1.00 71.22 C ATOM 44 O GLY A 4 -38.842 56.464 22.989 1.00 1.14 O ATOM 0 H GLY A 4 -39.412 58.234 21.925 1.00 20.44 H new ATOM 0 HA2 GLY A 4 -41.828 56.882 22.413 1.00 12.11 H new ATOM 0 HA3 GLY A 4 -41.175 56.304 20.893 1.00 12.11 H new ATOM 48 N VAL A 5 -40.193 54.669 22.788 1.00 20.24 N ATOM 49 CA VAL A 5 -39.199 53.672 23.119 1.00 15.23 C ATOM 50 C VAL A 5 -38.294 53.526 21.897 1.00 31.11 C ATOM 51 O VAL A 5 -38.705 53.775 20.763 1.00 53.01 O ATOM 52 CB VAL A 5 -39.872 52.336 23.511 1.00 43.43 C ATOM 53 CG1 VAL A 5 -40.590 52.471 24.863 1.00 22.21 C ATOM 54 CG2 VAL A 5 -40.878 51.810 22.469 1.00 21.10 C ATOM 0 H VAL A 5 -41.141 54.300 22.722 1.00 20.24 H new ATOM 0 HA VAL A 5 -38.608 53.973 23.984 1.00 15.23 H new ATOM 0 HB VAL A 5 -39.059 51.612 23.570 1.00 43.43 H new ATOM 0 HG11 VAL A 5 -41.058 51.521 25.123 1.00 22.21 H new ATOM 0 HG12 VAL A 5 -39.868 52.743 25.633 1.00 22.21 H new ATOM 0 HG13 VAL A 5 -41.354 53.245 24.793 1.00 22.21 H new ATOM 0 HG21 VAL A 5 -41.306 50.870 22.818 1.00 21.10 H new ATOM 0 HG22 VAL A 5 -41.674 52.542 22.330 1.00 21.10 H new ATOM 0 HG23 VAL A 5 -40.367 51.646 21.520 1.00 21.10 H new ATOM 64 N LEU A 6 -37.067 53.100 22.148 1.00 64.22 N ATOM 65 CA LEU A 6 -35.997 52.951 21.168 1.00 20.24 C ATOM 66 C LEU A 6 -35.263 51.643 21.433 1.00 0.01 C ATOM 67 O LEU A 6 -35.334 51.103 22.537 1.00 4.01 O ATOM 68 CB LEU A 6 -34.980 54.101 21.294 1.00 12.10 C ATOM 69 CG LEU A 6 -35.516 55.524 21.067 1.00 75.23 C ATOM 70 CD1 LEU A 6 -34.353 56.501 21.293 1.00 75.43 C ATOM 71 CD2 LEU A 6 -36.086 55.703 19.657 1.00 12.14 C ATOM 0 H LEU A 6 -36.773 52.835 23.088 1.00 64.22 H new ATOM 0 HA LEU A 6 -36.436 52.962 20.171 1.00 20.24 H new ATOM 0 HB2 LEU A 6 -34.539 54.058 22.290 1.00 12.10 H new ATOM 0 HB3 LEU A 6 -34.175 53.923 20.581 1.00 12.10 H new ATOM 0 HG LEU A 6 -36.332 55.716 21.763 1.00 75.23 H new ATOM 0 HD11 LEU A 6 -34.701 57.523 21.139 1.00 75.43 H new ATOM 0 HD12 LEU A 6 -33.981 56.394 22.312 1.00 75.43 H new ATOM 0 HD13 LEU A 6 -33.551 56.281 20.589 1.00 75.43 H new ATOM 0 HD21 LEU A 6 -36.453 56.722 19.540 1.00 12.14 H new ATOM 0 HD22 LEU A 6 -35.304 55.512 18.922 1.00 12.14 H new ATOM 0 HD23 LEU A 6 -36.906 55.002 19.505 1.00 12.14 H new ATOM 82 N ALA A 7 -34.487 51.189 20.449 1.00 42.42 N ATOM 83 CA ALA A 7 -33.445 50.188 20.605 1.00 62.11 C ATOM 84 C ALA A 7 -32.373 50.457 19.550 1.00 64.34 C ATOM 85 O ALA A 7 -32.613 51.182 18.580 1.00 4.40 O ATOM 86 CB ALA A 7 -34.039 48.784 20.426 1.00 63.32 C ATOM 0 H ALA A 7 -34.574 51.523 19.489 1.00 42.42 H new ATOM 0 HA ALA A 7 -33.007 50.242 21.601 1.00 62.11 H new ATOM 0 HB1 ALA A 7 -33.253 48.038 20.544 1.00 63.32 H new ATOM 0 HB2 ALA A 7 -34.812 48.618 21.176 1.00 63.32 H new ATOM 0 HB3 ALA A 7 -34.474 48.697 19.431 1.00 63.32 H new ATOM 92 N SER A 8 -31.199 49.856 19.720 1.00 31.50 N ATOM 93 CA SER A 8 -30.089 49.783 18.778 1.00 21.14 C ATOM 94 C SER A 8 -29.131 48.712 19.322 1.00 15.22 C ATOM 95 O SER A 8 -29.226 48.344 20.496 1.00 32.10 O ATOM 96 CB SER A 8 -29.410 51.155 18.678 1.00 2.01 C ATOM 97 OG SER A 8 -30.176 52.038 17.884 1.00 52.05 O ATOM 0 H SER A 8 -30.983 49.369 20.590 1.00 31.50 H new ATOM 0 HA SER A 8 -30.416 49.517 17.773 1.00 21.14 H new ATOM 0 HB2 SER A 8 -29.281 51.575 19.675 1.00 2.01 H new ATOM 0 HB3 SER A 8 -28.415 51.043 18.248 1.00 2.01 H new ATOM 0 HG SER A 8 -31.116 51.991 18.157 1.00 52.05 H new ATOM 102 N GLN A 9 -28.229 48.192 18.486 1.00 44.31 N ATOM 103 CA GLN A 9 -27.304 47.117 18.843 1.00 22.24 C ATOM 104 C GLN A 9 -26.023 47.243 18.009 1.00 53.45 C ATOM 105 O GLN A 9 -25.909 48.161 17.195 1.00 20.54 O ATOM 106 CB GLN A 9 -27.994 45.746 18.676 1.00 41.01 C ATOM 107 CG GLN A 9 -28.357 45.377 17.225 1.00 13.03 C ATOM 108 CD GLN A 9 -29.133 44.060 17.138 1.00 71.11 C ATOM 109 OE1 GLN A 9 -29.020 43.184 17.983 1.00 32.20 O ATOM 110 NE2 GLN A 9 -29.950 43.881 16.111 1.00 71.25 N ATOM 0 H GLN A 9 -28.120 48.513 17.524 1.00 44.31 H new ATOM 0 HA GLN A 9 -27.018 47.200 19.892 1.00 22.24 H new ATOM 0 HB2 GLN A 9 -27.339 44.974 19.079 1.00 41.01 H new ATOM 0 HB3 GLN A 9 -28.904 45.737 19.276 1.00 41.01 H new ATOM 0 HG2 GLN A 9 -28.953 46.177 16.787 1.00 13.03 H new ATOM 0 HG3 GLN A 9 -27.445 45.299 16.633 1.00 13.03 H new ATOM 0 HE21 GLN A 9 -30.047 44.609 15.404 1.00 71.25 H new ATOM 0 HE22 GLN A 9 -30.482 43.015 16.027 1.00 71.25 H new ATOM 117 N ALA A 10 -25.076 46.324 18.204 1.00 21.21 N ATOM 118 CA ALA A 10 -23.835 46.190 17.450 1.00 55.33 C ATOM 119 C ALA A 10 -23.610 44.702 17.148 1.00 2.33 C ATOM 120 O ALA A 10 -24.465 43.875 17.470 1.00 74.15 O ATOM 121 CB ALA A 10 -22.678 46.802 18.253 1.00 40.03 C ATOM 0 H ALA A 10 -25.162 45.616 18.933 1.00 21.21 H new ATOM 0 HA ALA A 10 -23.890 46.728 16.503 1.00 55.33 H new ATOM 0 HB1 ALA A 10 -21.751 46.702 17.689 1.00 40.03 H new ATOM 0 HB2 ALA A 10 -22.880 47.858 18.435 1.00 40.03 H new ATOM 0 HB3 ALA A 10 -22.581 46.282 19.206 1.00 40.03 H new ATOM 127 N LEU A 11 -22.476 44.356 16.533 1.00 0.10 N ATOM 128 CA LEU A 11 -22.085 42.992 16.189 1.00 4.14 C ATOM 129 C LEU A 11 -20.596 42.784 16.485 1.00 1.02 C ATOM 130 O LEU A 11 -19.893 43.740 16.817 1.00 34.40 O ATOM 131 CB LEU A 11 -22.418 42.682 14.715 1.00 14.41 C ATOM 132 CG LEU A 11 -21.575 43.440 13.660 1.00 74.25 C ATOM 133 CD1 LEU A 11 -21.353 42.563 12.423 1.00 61.13 C ATOM 134 CD2 LEU A 11 -22.246 44.750 13.221 1.00 23.40 C ATOM 0 H LEU A 11 -21.780 45.047 16.252 1.00 0.10 H new ATOM 0 HA LEU A 11 -22.654 42.295 16.804 1.00 4.14 H new ATOM 0 HB2 LEU A 11 -22.293 41.612 14.551 1.00 14.41 H new ATOM 0 HB3 LEU A 11 -23.470 42.910 14.544 1.00 14.41 H new ATOM 0 HG LEU A 11 -20.621 43.678 14.130 1.00 74.25 H new ATOM 0 HD11 LEU A 11 -20.759 43.110 11.691 1.00 61.13 H new ATOM 0 HD12 LEU A 11 -20.826 41.654 12.712 1.00 61.13 H new ATOM 0 HD13 LEU A 11 -22.316 42.301 11.985 1.00 61.13 H new ATOM 0 HD21 LEU A 11 -21.621 45.249 12.481 1.00 23.40 H new ATOM 0 HD22 LEU A 11 -23.220 44.531 12.784 1.00 23.40 H new ATOM 0 HD23 LEU A 11 -22.374 45.401 14.086 1.00 23.40 H new ATOM 145 N SER A 12 -20.109 41.556 16.312 1.00 20.41 N ATOM 146 CA SER A 12 -18.706 41.188 16.447 1.00 4.13 C ATOM 147 C SER A 12 -18.321 40.192 15.349 1.00 0.12 C ATOM 148 O SER A 12 -19.182 39.513 14.783 1.00 54.35 O ATOM 149 CB SER A 12 -18.470 40.609 17.854 1.00 1.33 C ATOM 150 OG SER A 12 -19.435 39.630 18.209 1.00 22.31 O ATOM 0 H SER A 12 -20.704 40.765 16.066 1.00 20.41 H new ATOM 0 HA SER A 12 -18.072 42.067 16.329 1.00 4.13 H new ATOM 0 HB2 SER A 12 -17.475 40.166 17.899 1.00 1.33 H new ATOM 0 HB3 SER A 12 -18.492 41.418 18.584 1.00 1.33 H new ATOM 0 HG SER A 12 -19.242 39.292 19.108 1.00 22.31 H new ATOM 155 N GLN A 13 -17.024 40.077 15.075 1.00 24.31 N ATOM 156 CA GLN A 13 -16.367 39.011 14.325 1.00 60.14 C ATOM 157 C GLN A 13 -14.880 39.052 14.709 1.00 24.43 C ATOM 158 O GLN A 13 -14.477 39.929 15.479 1.00 53.02 O ATOM 159 CB GLN A 13 -16.569 39.178 12.804 1.00 72.13 C ATOM 160 CG GLN A 13 -16.163 40.557 12.244 1.00 74.23 C ATOM 161 CD GLN A 13 -15.877 40.551 10.739 1.00 62.31 C ATOM 162 OE1 GLN A 13 -15.084 41.350 10.249 1.00 33.13 O ATOM 163 NE2 GLN A 13 -16.467 39.657 9.960 1.00 41.43 N ATOM 0 H GLN A 13 -16.356 40.778 15.395 1.00 24.31 H new ATOM 0 HA GLN A 13 -16.800 38.042 14.573 1.00 60.14 H new ATOM 0 HB2 GLN A 13 -15.994 38.409 12.289 1.00 72.13 H new ATOM 0 HB3 GLN A 13 -17.619 39.001 12.570 1.00 72.13 H new ATOM 0 HG2 GLN A 13 -16.959 41.272 12.451 1.00 74.23 H new ATOM 0 HG3 GLN A 13 -15.276 40.907 12.772 1.00 74.23 H new ATOM 0 HE21 GLN A 13 -17.127 38.990 10.359 1.00 41.43 H new ATOM 0 HE22 GLN A 13 -16.261 39.636 8.961 1.00 41.43 H new ATOM 170 N GLY A 14 -14.066 38.153 14.158 1.00 40.12 N ATOM 171 CA GLY A 14 -12.614 38.211 14.232 1.00 74.42 C ATOM 172 C GLY A 14 -12.078 36.876 14.711 1.00 4.00 C ATOM 173 O GLY A 14 -11.857 36.698 15.913 1.00 11.43 O ATOM 0 H GLY A 14 -14.410 37.347 13.636 1.00 40.12 H new ATOM 0 HA2 GLY A 14 -12.199 38.452 13.253 1.00 74.42 H new ATOM 0 HA3 GLY A 14 -12.305 39.004 14.913 1.00 74.42 H new ATOM 177 N SER A 15 -11.982 35.893 13.814 1.00 1.32 N ATOM 178 CA SER A 15 -11.507 34.559 14.148 1.00 51.14 C ATOM 179 C SER A 15 -11.219 33.763 12.877 1.00 51.34 C ATOM 180 O SER A 15 -12.077 33.701 11.996 1.00 12.33 O ATOM 181 CB SER A 15 -12.543 33.822 15.004 1.00 31.43 C ATOM 182 OG SER A 15 -13.893 34.229 14.753 1.00 23.14 O ATOM 0 H SER A 15 -12.234 36.006 12.832 1.00 1.32 H new ATOM 0 HA SER A 15 -10.584 34.656 14.719 1.00 51.14 H new ATOM 0 HB2 SER A 15 -12.456 32.751 14.821 1.00 31.43 H new ATOM 0 HB3 SER A 15 -12.314 33.986 16.057 1.00 31.43 H new ATOM 0 HG SER A 15 -14.501 33.720 15.329 1.00 23.14 H new ATOM 187 N GLU A 16 -10.052 33.124 12.796 1.00 62.54 N ATOM 188 CA GLU A 16 -9.578 32.421 11.600 1.00 35.51 C ATOM 189 C GLU A 16 -8.835 31.132 12.005 1.00 32.53 C ATOM 190 O GLU A 16 -7.606 31.145 12.130 1.00 73.43 O ATOM 191 CB GLU A 16 -8.685 33.346 10.744 1.00 31.43 C ATOM 192 CG GLU A 16 -9.447 34.544 10.154 1.00 3.04 C ATOM 193 CD GLU A 16 -8.614 35.291 9.119 1.00 20.42 C ATOM 194 OE1 GLU A 16 -7.777 36.136 9.498 1.00 54.42 O ATOM 195 OE2 GLU A 16 -8.830 35.067 7.904 1.00 52.41 O ATOM 0 H GLU A 16 -9.395 33.079 13.575 1.00 62.54 H new ATOM 0 HA GLU A 16 -10.436 32.139 10.990 1.00 35.51 H new ATOM 0 HB2 GLU A 16 -7.861 33.713 11.356 1.00 31.43 H new ATOM 0 HB3 GLU A 16 -8.246 32.767 9.932 1.00 31.43 H new ATOM 0 HG2 GLU A 16 -10.372 34.196 9.694 1.00 3.04 H new ATOM 0 HG3 GLU A 16 -9.728 35.227 10.956 1.00 3.04 H new ATOM 200 N PRO A 17 -9.529 30.004 12.241 1.00 11.33 N ATOM 201 CA PRO A 17 -8.897 28.723 12.561 1.00 71.31 C ATOM 202 C PRO A 17 -8.202 28.102 11.335 1.00 4.02 C ATOM 203 O PRO A 17 -8.514 28.436 10.190 1.00 4.03 O ATOM 204 CB PRO A 17 -10.042 27.841 13.068 1.00 35.35 C ATOM 205 CG PRO A 17 -11.262 28.376 12.321 1.00 42.10 C ATOM 206 CD PRO A 17 -10.977 29.873 12.240 1.00 35.32 C ATOM 0 HA PRO A 17 -8.107 28.836 13.303 1.00 71.31 H new ATOM 0 HB2 PRO A 17 -9.866 26.788 12.847 1.00 35.35 H new ATOM 0 HB3 PRO A 17 -10.164 27.924 14.148 1.00 35.35 H new ATOM 0 HG2 PRO A 17 -11.359 27.928 11.332 1.00 42.10 H new ATOM 0 HG3 PRO A 17 -12.188 28.169 12.857 1.00 42.10 H new ATOM 0 HD2 PRO A 17 -11.407 30.304 11.336 1.00 35.32 H new ATOM 0 HD3 PRO A 17 -11.417 30.401 13.086 1.00 35.32 H new ATOM 211 N SER A 18 -7.281 27.162 11.564 1.00 54.21 N ATOM 212 CA SER A 18 -6.651 26.339 10.538 1.00 63.43 C ATOM 213 C SER A 18 -6.039 25.114 11.227 1.00 40.40 C ATOM 214 O SER A 18 -4.903 25.150 11.719 1.00 35.52 O ATOM 215 CB SER A 18 -5.609 27.161 9.763 1.00 42.01 C ATOM 216 OG SER A 18 -5.044 26.402 8.709 1.00 71.40 O ATOM 0 H SER A 18 -6.944 26.949 12.503 1.00 54.21 H new ATOM 0 HA SER A 18 -7.381 25.999 9.804 1.00 63.43 H new ATOM 0 HB2 SER A 18 -6.077 28.059 9.359 1.00 42.01 H new ATOM 0 HB3 SER A 18 -4.822 27.489 10.442 1.00 42.01 H new ATOM 0 HG SER A 18 -4.083 26.586 8.652 1.00 71.40 H new ATOM 221 N SER A 19 -6.812 24.037 11.345 1.00 44.00 N ATOM 222 CA SER A 19 -6.432 22.836 12.088 1.00 20.45 C ATOM 223 C SER A 19 -7.157 21.620 11.501 1.00 55.42 C ATOM 224 O SER A 19 -7.886 20.917 12.197 1.00 53.33 O ATOM 225 CB SER A 19 -6.688 23.058 13.594 1.00 3.24 C ATOM 226 OG SER A 19 -7.759 23.952 13.860 1.00 60.31 O ATOM 0 H SER A 19 -7.737 23.972 10.920 1.00 44.00 H new ATOM 0 HA SER A 19 -5.366 22.632 11.988 1.00 20.45 H new ATOM 0 HB2 SER A 19 -6.901 22.098 14.064 1.00 3.24 H new ATOM 0 HB3 SER A 19 -5.779 23.444 14.056 1.00 3.24 H new ATOM 0 HG SER A 19 -7.871 24.049 14.829 1.00 60.31 H new ATOM 231 N GLU A 20 -7.030 21.406 10.192 1.00 72.13 N ATOM 232 CA GLU A 20 -7.807 20.409 9.462 1.00 23.51 C ATOM 233 C GLU A 20 -7.071 20.062 8.162 1.00 73.24 C ATOM 234 O GLU A 20 -5.996 20.621 7.921 1.00 42.00 O ATOM 235 CB GLU A 20 -9.186 21.028 9.187 1.00 13.23 C ATOM 236 CG GLU A 20 -10.328 20.013 9.159 1.00 51.12 C ATOM 237 CD GLU A 20 -11.710 20.673 9.238 1.00 24.31 C ATOM 238 OE1 GLU A 20 -11.850 21.917 9.161 1.00 52.04 O ATOM 239 OE2 GLU A 20 -12.691 19.906 9.398 1.00 60.42 O ATOM 0 H GLU A 20 -6.378 21.926 9.604 1.00 72.13 H new ATOM 0 HA GLU A 20 -7.930 19.485 10.028 1.00 23.51 H new ATOM 0 HB2 GLU A 20 -9.397 21.775 9.952 1.00 13.23 H new ATOM 0 HB3 GLU A 20 -9.154 21.550 8.231 1.00 13.23 H new ATOM 0 HG2 GLU A 20 -10.263 19.425 8.244 1.00 51.12 H new ATOM 0 HG3 GLU A 20 -10.213 19.320 9.992 1.00 51.12 H new ATOM 244 N ASN A 21 -7.638 19.183 7.330 1.00 40.42 N ATOM 245 CA ASN A 21 -7.278 18.896 5.937 1.00 34.25 C ATOM 246 C ASN A 21 -5.966 18.122 5.823 1.00 15.42 C ATOM 247 O ASN A 21 -4.890 18.720 5.773 1.00 31.44 O ATOM 248 CB ASN A 21 -7.245 20.190 5.104 1.00 1.35 C ATOM 249 CG ASN A 21 -7.214 19.928 3.606 1.00 63.24 C ATOM 250 OD1 ASN A 21 -8.258 19.911 2.958 1.00 24.45 O ATOM 251 ND2 ASN A 21 -6.042 19.743 3.019 1.00 3.04 N ATOM 0 H ASN A 21 -8.423 18.608 7.637 1.00 40.42 H new ATOM 0 HA ASN A 21 -8.054 18.249 5.529 1.00 34.25 H new ATOM 0 HB2 ASN A 21 -8.120 20.793 5.344 1.00 1.35 H new ATOM 0 HB3 ASN A 21 -6.368 20.774 5.384 1.00 1.35 H new ATOM 0 HD21 ASN A 21 -5.995 19.583 2.013 1.00 3.04 H new ATOM 0 HD22 ASN A 21 -5.186 19.760 3.573 1.00 3.04 H new ATOM 257 N ALA A 22 -6.012 16.791 5.811 1.00 75.41 N ATOM 258 CA ALA A 22 -4.852 15.952 5.546 1.00 0.25 C ATOM 259 C ALA A 22 -5.262 14.628 4.908 1.00 3.42 C ATOM 260 O ALA A 22 -6.433 14.360 4.651 1.00 4.33 O ATOM 261 CB ALA A 22 -4.047 15.718 6.828 1.00 62.32 C ATOM 0 H ALA A 22 -6.866 16.262 5.987 1.00 75.41 H new ATOM 0 HA ALA A 22 -4.214 16.477 4.836 1.00 0.25 H new ATOM 0 HB1 ALA A 22 -3.185 15.089 6.607 1.00 62.32 H new ATOM 0 HB2 ALA A 22 -3.706 16.675 7.223 1.00 62.32 H new ATOM 0 HB3 ALA A 22 -4.677 15.224 7.568 1.00 62.32 H new ATOM 267 N ASN A 23 -4.255 13.807 4.636 1.00 33.23 N ATOM 268 CA ASN A 23 -4.351 12.480 4.073 1.00 40.24 C ATOM 269 C ASN A 23 -3.367 11.626 4.861 1.00 21.43 C ATOM 270 O ASN A 23 -2.191 11.977 5.000 1.00 63.30 O ATOM 271 CB ASN A 23 -4.013 12.564 2.580 1.00 21.51 C ATOM 272 CG ASN A 23 -3.763 11.242 1.867 1.00 60.12 C ATOM 273 OD1 ASN A 23 -4.221 10.115 2.380 1.00 13.32 O flip ATOM 274 ND2 ASN A 23 -3.152 11.245 0.800 1.00 14.05 N flip ATOM 0 H ASN A 23 -3.288 14.076 4.818 1.00 33.23 H new ATOM 0 HA ASN A 23 -5.346 12.040 4.144 1.00 40.24 H new ATOM 0 HB2 ASN A 23 -4.831 13.076 2.073 1.00 21.51 H new ATOM 0 HB3 ASN A 23 -3.126 13.187 2.465 1.00 21.51 H new ATOM 0 HD21 ASN A 23 -2.803 12.123 0.414 1.00 14.05 H new ATOM 0 HD22 ASN A 23 -2.994 10.370 0.300 1.00 14.05 H new ATOM 280 N ASP A 24 -3.867 10.534 5.413 1.00 53.00 N ATOM 281 CA ASP A 24 -3.149 9.552 6.204 1.00 73.23 C ATOM 282 C ASP A 24 -2.778 8.443 5.232 1.00 34.15 C ATOM 283 O ASP A 24 -3.661 7.714 4.776 1.00 14.04 O ATOM 284 CB ASP A 24 -4.011 9.070 7.376 1.00 14.05 C ATOM 285 CG ASP A 24 -4.372 10.173 8.398 1.00 74.13 C ATOM 286 OD1 ASP A 24 -4.974 11.196 8.019 1.00 53.31 O ATOM 287 OD2 ASP A 24 -4.059 9.999 9.604 1.00 21.54 O ATOM 0 H ASP A 24 -4.853 10.295 5.313 1.00 53.00 H new ATOM 0 HA ASP A 24 -2.250 9.958 6.668 1.00 73.23 H new ATOM 0 HB2 ASP A 24 -4.932 8.641 6.982 1.00 14.05 H new ATOM 0 HB3 ASP A 24 -3.483 8.270 7.895 1.00 14.05 H new ATOM 291 N THR A 25 -1.501 8.359 4.858 1.00 33.12 N ATOM 292 CA THR A 25 -0.964 7.345 3.955 1.00 53.00 C ATOM 293 C THR A 25 0.082 6.557 4.755 1.00 51.13 C ATOM 294 O THR A 25 0.802 7.143 5.569 1.00 43.10 O ATOM 295 CB THR A 25 -0.385 8.022 2.692 1.00 31.21 C ATOM 296 OG1 THR A 25 -1.288 8.956 2.125 1.00 61.12 O ATOM 297 CG2 THR A 25 -0.079 7.012 1.590 1.00 12.43 C ATOM 0 H THR A 25 -0.792 9.015 5.186 1.00 33.12 H new ATOM 0 HA THR A 25 -1.729 6.657 3.596 1.00 53.00 H new ATOM 0 HB THR A 25 0.524 8.516 3.034 1.00 31.21 H new ATOM 0 HG1 THR A 25 -0.883 9.362 1.330 1.00 61.12 H new ATOM 0 HG21 THR A 25 0.326 7.532 0.722 1.00 12.43 H new ATOM 0 HG22 THR A 25 0.651 6.288 1.952 1.00 12.43 H new ATOM 0 HG23 THR A 25 -0.995 6.493 1.307 1.00 12.43 H new ATOM 305 N ILE A 26 0.161 5.242 4.567 1.00 3.13 N ATOM 306 CA ILE A 26 1.196 4.401 5.162 1.00 60.44 C ATOM 307 C ILE A 26 2.348 4.320 4.150 1.00 3.25 C ATOM 308 O ILE A 26 2.142 4.457 2.939 1.00 63.44 O ATOM 309 CB ILE A 26 0.576 3.033 5.531 1.00 62.23 C ATOM 310 CG1 ILE A 26 -0.554 3.147 6.583 1.00 54.32 C ATOM 311 CG2 ILE A 26 1.608 1.977 5.976 1.00 75.50 C ATOM 312 CD1 ILE A 26 -0.175 3.800 7.920 1.00 44.41 C ATOM 0 H ILE A 26 -0.501 4.724 3.989 1.00 3.13 H new ATOM 0 HA ILE A 26 1.599 4.806 6.090 1.00 60.44 H new ATOM 0 HB ILE A 26 0.140 2.682 4.596 1.00 62.23 H new ATOM 0 HG12 ILE A 26 -1.374 3.716 6.144 1.00 54.32 H new ATOM 0 HG13 ILE A 26 -0.934 2.146 6.787 1.00 54.32 H new ATOM 0 HG21 ILE A 26 1.095 1.046 6.217 1.00 75.50 H new ATOM 0 HG22 ILE A 26 2.319 1.801 5.169 1.00 75.50 H new ATOM 0 HG23 ILE A 26 2.140 2.337 6.857 1.00 75.50 H new ATOM 0 HD11 ILE A 26 -1.047 3.823 8.574 1.00 44.41 H new ATOM 0 HD12 ILE A 26 0.619 3.223 8.395 1.00 44.41 H new ATOM 0 HD13 ILE A 26 0.173 4.818 7.742 1.00 44.41 H new ATOM 323 N ILE A 27 3.565 4.090 4.641 1.00 14.04 N ATOM 324 CA ILE A 27 4.761 3.914 3.829 1.00 14.41 C ATOM 325 C ILE A 27 5.532 2.717 4.391 1.00 53.42 C ATOM 326 O ILE A 27 5.418 2.389 5.574 1.00 54.13 O ATOM 327 CB ILE A 27 5.564 5.241 3.789 1.00 61.21 C ATOM 328 CG1 ILE A 27 6.616 5.323 2.661 1.00 14.24 C ATOM 329 CG2 ILE A 27 6.249 5.569 5.121 1.00 13.44 C ATOM 330 CD1 ILE A 27 5.968 5.791 1.360 1.00 60.21 C ATOM 0 H ILE A 27 3.748 4.020 5.642 1.00 14.04 H new ATOM 0 HA ILE A 27 4.529 3.689 2.788 1.00 14.41 H new ATOM 0 HB ILE A 27 4.794 5.984 3.582 1.00 61.21 H new ATOM 0 HG12 ILE A 27 7.411 6.012 2.946 1.00 14.24 H new ATOM 0 HG13 ILE A 27 7.077 4.346 2.514 1.00 14.24 H new ATOM 0 HG21 ILE A 27 6.794 6.508 5.028 1.00 13.44 H new ATOM 0 HG22 ILE A 27 5.496 5.662 5.904 1.00 13.44 H new ATOM 0 HG23 ILE A 27 6.944 4.770 5.379 1.00 13.44 H new ATOM 0 HD11 ILE A 27 6.723 5.843 0.576 1.00 60.21 H new ATOM 0 HD12 ILE A 27 5.189 5.087 1.068 1.00 60.21 H new ATOM 0 HD13 ILE A 27 5.528 6.778 1.507 1.00 60.21 H new ATOM 341 N LEU A 28 6.329 2.067 3.552 1.00 44.03 N ATOM 342 CA LEU A 28 7.218 0.983 3.944 1.00 42.33 C ATOM 343 C LEU A 28 8.651 1.455 3.774 1.00 63.43 C ATOM 344 O LEU A 28 8.922 2.367 2.991 1.00 64.53 O ATOM 345 CB LEU A 28 6.983 -0.288 3.111 1.00 60.12 C ATOM 346 CG LEU A 28 5.594 -0.942 3.210 1.00 54.01 C ATOM 347 CD1 LEU A 28 5.071 -1.065 4.641 1.00 44.24 C ATOM 348 CD2 LEU A 28 4.544 -0.230 2.354 1.00 12.34 C ATOM 0 H LEU A 28 6.375 2.285 2.557 1.00 44.03 H new ATOM 0 HA LEU A 28 7.015 0.725 4.983 1.00 42.33 H new ATOM 0 HB2 LEU A 28 7.170 -0.046 2.065 1.00 60.12 H new ATOM 0 HB3 LEU A 28 7.727 -1.028 3.405 1.00 60.12 H new ATOM 0 HG LEU A 28 5.750 -1.948 2.822 1.00 54.01 H new ATOM 0 HD11 LEU A 28 4.088 -1.535 4.630 1.00 44.24 H new ATOM 0 HD12 LEU A 28 5.758 -1.674 5.228 1.00 44.24 H new ATOM 0 HD13 LEU A 28 4.994 -0.073 5.087 1.00 44.24 H new ATOM 0 HD21 LEU A 28 3.584 -0.734 2.462 1.00 12.34 H new ATOM 0 HD22 LEU A 28 4.449 0.806 2.681 1.00 12.34 H new ATOM 0 HD23 LEU A 28 4.850 -0.254 1.308 1.00 12.34 H new ATOM 359 N ARG A 29 9.582 0.807 4.468 1.00 3.11 N ATOM 360 CA ARG A 29 11.019 1.063 4.397 1.00 1.42 C ATOM 361 C ARG A 29 11.742 -0.290 4.355 1.00 21.34 C ATOM 362 O ARG A 29 11.102 -1.342 4.407 1.00 15.03 O ATOM 363 CB ARG A 29 11.442 1.953 5.594 1.00 13.24 C ATOM 364 CG ARG A 29 11.011 3.425 5.455 1.00 15.22 C ATOM 365 CD ARG A 29 11.367 4.245 6.709 1.00 52.21 C ATOM 366 NE ARG A 29 11.407 5.686 6.409 1.00 52.40 N ATOM 367 CZ ARG A 29 11.582 6.712 7.252 1.00 4.34 C ATOM 368 NH1 ARG A 29 11.659 6.529 8.570 1.00 4.44 N ATOM 369 NH2 ARG A 29 11.672 7.939 6.755 1.00 14.13 N ATOM 0 H ARG A 29 9.348 0.059 5.121 1.00 3.11 H new ATOM 0 HA ARG A 29 11.291 1.612 3.495 1.00 1.42 H new ATOM 0 HB2 ARG A 29 11.014 1.543 6.509 1.00 13.24 H new ATOM 0 HB3 ARG A 29 12.526 1.910 5.702 1.00 13.24 H new ATOM 0 HG2 ARG A 29 11.495 3.865 4.583 1.00 15.22 H new ATOM 0 HG3 ARG A 29 9.936 3.474 5.281 1.00 15.22 H new ATOM 0 HD2 ARG A 29 10.633 4.054 7.492 1.00 52.21 H new ATOM 0 HD3 ARG A 29 12.335 3.924 7.094 1.00 52.21 H new ATOM 0 HE ARG A 29 11.285 5.936 5.428 1.00 52.40 H new ATOM 0 HH11 ARG A 29 11.584 5.589 8.960 1.00 4.44 H new ATOM 0 HH12 ARG A 29 11.793 7.329 9.189 1.00 4.44 H new ATOM 0 HH21 ARG A 29 11.608 8.087 5.748 1.00 14.13 H new ATOM 0 HH22 ARG A 29 11.805 8.734 7.380 1.00 14.13 H new ATOM 380 N ASN A 30 13.077 -0.268 4.311 1.00 55.22 N ATOM 381 CA ASN A 30 13.991 -1.417 4.407 1.00 11.12 C ATOM 382 C ASN A 30 13.948 -2.361 3.199 1.00 43.42 C ATOM 383 O ASN A 30 14.551 -3.429 3.236 1.00 54.10 O ATOM 384 CB ASN A 30 13.771 -2.203 5.714 1.00 52.00 C ATOM 385 CG ASN A 30 14.977 -3.077 6.059 1.00 13.12 C ATOM 386 OD1 ASN A 30 16.112 -2.605 6.050 1.00 61.33 O ATOM 387 ND2 ASN A 30 14.752 -4.334 6.394 1.00 2.42 N ATOM 0 H ASN A 30 13.585 0.610 4.200 1.00 55.22 H new ATOM 0 HA ASN A 30 14.990 -0.982 4.413 1.00 11.12 H new ATOM 0 HB2 ASN A 30 13.582 -1.506 6.530 1.00 52.00 H new ATOM 0 HB3 ASN A 30 12.884 -2.829 5.617 1.00 52.00 H new ATOM 0 HD21 ASN A 30 15.530 -4.940 6.654 1.00 2.42 H new ATOM 0 HD22 ASN A 30 13.800 -4.699 6.393 1.00 2.42 H new ATOM 393 N LEU A 31 13.236 -2.018 2.125 1.00 71.23 N ATOM 394 CA LEU A 31 13.021 -2.965 1.032 1.00 63.24 C ATOM 395 C LEU A 31 14.320 -3.195 0.268 1.00 4.44 C ATOM 396 O LEU A 31 15.125 -2.271 0.125 1.00 72.13 O ATOM 397 CB LEU A 31 11.939 -2.462 0.057 1.00 2.01 C ATOM 398 CG LEU A 31 10.662 -1.936 0.730 1.00 74.12 C ATOM 399 CD1 LEU A 31 9.653 -1.514 -0.330 1.00 0.31 C ATOM 400 CD2 LEU A 31 10.010 -2.997 1.606 1.00 75.41 C ATOM 0 H LEU A 31 12.804 -1.104 1.989 1.00 71.23 H new ATOM 0 HA LEU A 31 12.683 -3.903 1.472 1.00 63.24 H new ATOM 0 HB2 LEU A 31 12.363 -1.667 -0.557 1.00 2.01 H new ATOM 0 HB3 LEU A 31 11.670 -3.276 -0.616 1.00 2.01 H new ATOM 0 HG LEU A 31 10.951 -1.088 1.351 1.00 74.12 H new ATOM 0 HD11 LEU A 31 8.750 -1.142 0.155 1.00 0.31 H new ATOM 0 HD12 LEU A 31 10.083 -0.727 -0.949 1.00 0.31 H new ATOM 0 HD13 LEU A 31 9.402 -2.371 -0.955 1.00 0.31 H new ATOM 0 HD21 LEU A 31 9.110 -2.587 2.065 1.00 75.41 H new ATOM 0 HD22 LEU A 31 9.745 -3.860 0.996 1.00 75.41 H new ATOM 0 HD23 LEU A 31 10.707 -3.304 2.386 1.00 75.41 H new ATOM 411 N ASN A 32 14.495 -4.396 -0.291 1.00 43.02 N ATOM 412 CA ASN A 32 15.560 -4.631 -1.266 1.00 44.23 C ATOM 413 C ASN A 32 15.067 -4.247 -2.667 1.00 21.44 C ATOM 414 O ASN A 32 13.851 -4.269 -2.898 1.00 55.41 O ATOM 415 CB ASN A 32 16.016 -6.108 -1.215 1.00 32.41 C ATOM 416 CG ASN A 32 17.522 -6.247 -0.986 1.00 33.22 C ATOM 417 OD1 ASN A 32 18.157 -5.375 -0.403 1.00 74.21 O ATOM 418 ND2 ASN A 32 18.124 -7.323 -1.447 1.00 43.33 N ATOM 0 H ASN A 32 13.918 -5.212 -0.087 1.00 43.02 H new ATOM 0 HA ASN A 32 16.422 -4.010 -1.022 1.00 44.23 H new ATOM 0 HB2 ASN A 32 15.481 -6.623 -0.417 1.00 32.41 H new ATOM 0 HB3 ASN A 32 15.746 -6.601 -2.149 1.00 32.41 H new ATOM 0 HD21 ASN A 32 19.130 -7.438 -1.321 1.00 43.33 H new ATOM 0 HD22 ASN A 32 17.585 -8.041 -1.930 1.00 43.33 H new ATOM 424 N PRO A 33 15.966 -4.014 -3.643 1.00 24.52 N ATOM 425 CA PRO A 33 15.602 -3.730 -5.032 1.00 33.33 C ATOM 426 C PRO A 33 14.682 -4.797 -5.622 1.00 1.15 C ATOM 427 O PRO A 33 13.709 -4.479 -6.308 1.00 75.10 O ATOM 428 CB PRO A 33 16.925 -3.655 -5.808 1.00 13.02 C ATOM 429 CG PRO A 33 17.987 -4.187 -4.854 1.00 75.22 C ATOM 430 CD PRO A 33 17.406 -3.881 -3.486 1.00 3.12 C ATOM 0 HA PRO A 33 15.041 -2.798 -5.095 1.00 33.33 H new ATOM 0 HB2 PRO A 33 16.880 -4.253 -6.718 1.00 13.02 H new ATOM 0 HB3 PRO A 33 17.146 -2.631 -6.109 1.00 13.02 H new ATOM 0 HG2 PRO A 33 18.153 -5.255 -4.991 1.00 75.22 H new ATOM 0 HG3 PRO A 33 18.947 -3.693 -5.004 1.00 75.22 H new ATOM 0 HD2 PRO A 33 17.785 -4.573 -2.734 1.00 3.12 H new ATOM 0 HD3 PRO A 33 17.675 -2.876 -3.160 1.00 3.12 H new ATOM 435 N HIS A 34 14.996 -6.056 -5.324 1.00 3.21 N ATOM 436 CA HIS A 34 14.303 -7.249 -5.782 1.00 55.23 C ATOM 437 C HIS A 34 13.158 -7.665 -4.857 1.00 31.12 C ATOM 438 O HIS A 34 12.653 -8.783 -4.990 1.00 52.10 O ATOM 439 CB HIS A 34 15.333 -8.377 -5.878 1.00 12.04 C ATOM 440 CG HIS A 34 16.380 -8.090 -6.926 1.00 22.33 C ATOM 441 ND1 HIS A 34 16.170 -8.050 -8.286 1.00 3.44 N ATOM 442 CD2 HIS A 34 17.673 -7.702 -6.696 1.00 23.51 C ATOM 443 CE1 HIS A 34 17.319 -7.659 -8.862 1.00 40.24 C ATOM 444 NE2 HIS A 34 18.258 -7.413 -7.931 1.00 72.32 N ATOM 0 H HIS A 34 15.788 -6.279 -4.721 1.00 3.21 H new ATOM 0 HA HIS A 34 13.850 -7.036 -6.750 1.00 55.23 H new ATOM 0 HB2 HIS A 34 15.815 -8.513 -4.910 1.00 12.04 H new ATOM 0 HB3 HIS A 34 14.827 -9.313 -6.116 1.00 12.04 H new ATOM 0 HD2 HIS A 34 18.154 -7.632 -5.732 1.00 23.51 H new ATOM 0 HE1 HIS A 34 17.468 -7.556 -9.927 1.00 40.24 H new ATOM 0 HE2 HIS A 34 19.209 -7.081 -8.094 1.00 72.32 H new ATOM 451 N SER A 35 12.778 -6.844 -3.874 1.00 52.20 N ATOM 452 CA SER A 35 11.607 -7.149 -3.082 1.00 63.21 C ATOM 453 C SER A 35 10.371 -6.996 -3.972 1.00 31.42 C ATOM 454 O SER A 35 10.427 -6.362 -5.031 1.00 64.23 O ATOM 455 CB SER A 35 11.568 -6.250 -1.843 1.00 75.52 C ATOM 456 OG SER A 35 10.601 -6.696 -0.924 1.00 15.23 O ATOM 0 H SER A 35 13.260 -5.982 -3.619 1.00 52.20 H new ATOM 0 HA SER A 35 11.634 -8.175 -2.716 1.00 63.21 H new ATOM 0 HB2 SER A 35 12.549 -6.239 -1.367 1.00 75.52 H new ATOM 0 HB3 SER A 35 11.346 -5.225 -2.140 1.00 75.52 H new ATOM 0 HG SER A 35 10.597 -6.106 -0.141 1.00 15.23 H new ATOM 461 N THR A 36 9.256 -7.558 -3.536 1.00 60.14 N ATOM 462 CA THR A 36 8.042 -7.645 -4.333 1.00 32.35 C ATOM 463 C THR A 36 6.807 -7.258 -3.523 1.00 52.43 C ATOM 464 O THR A 36 6.850 -7.171 -2.292 1.00 40.34 O ATOM 465 CB THR A 36 7.922 -9.051 -4.956 1.00 12.43 C ATOM 466 OG1 THR A 36 8.269 -10.087 -4.051 1.00 31.33 O ATOM 467 CG2 THR A 36 8.785 -9.198 -6.206 1.00 71.22 C ATOM 0 H THR A 36 9.166 -7.972 -2.608 1.00 60.14 H new ATOM 0 HA THR A 36 8.105 -6.923 -5.147 1.00 32.35 H new ATOM 0 HB THR A 36 6.869 -9.152 -5.220 1.00 12.43 H new ATOM 0 HG1 THR A 36 8.174 -10.955 -4.496 1.00 31.33 H new ATOM 0 HG21 THR A 36 8.670 -10.203 -6.612 1.00 71.22 H new ATOM 0 HG22 THR A 36 8.472 -8.468 -6.952 1.00 71.22 H new ATOM 0 HG23 THR A 36 9.830 -9.028 -5.948 1.00 71.22 H new ATOM 475 N MET A 37 5.701 -7.039 -4.236 1.00 61.41 N ATOM 476 CA MET A 37 4.360 -6.750 -3.755 1.00 3.01 C ATOM 477 C MET A 37 3.880 -7.793 -2.743 1.00 4.13 C ATOM 478 O MET A 37 3.182 -7.458 -1.788 1.00 22.32 O ATOM 479 CB MET A 37 3.449 -6.728 -4.998 1.00 12.43 C ATOM 480 CG MET A 37 1.959 -6.580 -4.691 1.00 72.23 C ATOM 481 SD MET A 37 1.471 -5.040 -3.873 1.00 74.33 S ATOM 482 CE MET A 37 1.447 -3.887 -5.264 1.00 40.32 C ATOM 0 H MET A 37 5.730 -7.063 -5.255 1.00 61.41 H new ATOM 0 HA MET A 37 4.340 -5.795 -3.230 1.00 3.01 H new ATOM 0 HB2 MET A 37 3.757 -5.906 -5.644 1.00 12.43 H new ATOM 0 HB3 MET A 37 3.601 -7.649 -5.560 1.00 12.43 H new ATOM 0 HG2 MET A 37 1.405 -6.664 -5.626 1.00 72.23 H new ATOM 0 HG3 MET A 37 1.652 -7.416 -4.062 1.00 72.23 H new ATOM 0 HE1 MET A 37 1.162 -2.896 -4.910 1.00 40.32 H new ATOM 0 HE2 MET A 37 2.438 -3.840 -5.715 1.00 40.32 H new ATOM 0 HE3 MET A 37 0.726 -4.228 -6.007 1.00 40.32 H new ATOM 490 N ASP A 38 4.207 -9.067 -2.955 1.00 40.44 N ATOM 491 CA ASP A 38 3.605 -10.159 -2.187 1.00 14.44 C ATOM 492 C ASP A 38 3.999 -10.115 -0.709 1.00 72.21 C ATOM 493 O ASP A 38 3.139 -10.366 0.129 1.00 20.54 O ATOM 494 CB ASP A 38 3.896 -11.514 -2.830 1.00 1.32 C ATOM 495 CG ASP A 38 3.018 -11.656 -4.059 1.00 20.12 C ATOM 496 OD1 ASP A 38 1.832 -12.042 -3.924 1.00 51.00 O ATOM 497 OD2 ASP A 38 3.486 -11.279 -5.159 1.00 35.15 O ATOM 0 H ASP A 38 4.886 -9.370 -3.653 1.00 40.44 H new ATOM 0 HA ASP A 38 2.525 -10.018 -2.213 1.00 14.44 H new ATOM 0 HB2 ASP A 38 4.948 -11.586 -3.105 1.00 1.32 H new ATOM 0 HB3 ASP A 38 3.695 -12.320 -2.124 1.00 1.32 H new ATOM 501 N SER A 39 5.209 -9.665 -0.350 1.00 42.41 N ATOM 502 CA SER A 39 5.664 -9.301 0.987 1.00 32.24 C ATOM 503 C SER A 39 4.662 -8.440 1.745 1.00 62.22 C ATOM 504 O SER A 39 4.727 -8.409 2.969 1.00 31.32 O ATOM 505 CB SER A 39 7.012 -8.559 0.929 1.00 31.33 C ATOM 506 OG SER A 39 7.736 -8.705 -0.289 1.00 20.55 O ATOM 0 H SER A 39 5.946 -9.539 -1.043 1.00 42.41 H new ATOM 0 HA SER A 39 5.775 -10.242 1.526 1.00 32.24 H new ATOM 0 HB2 SER A 39 6.831 -7.498 1.100 1.00 31.33 H new ATOM 0 HB3 SER A 39 7.638 -8.912 1.749 1.00 31.33 H new ATOM 0 HG SER A 39 7.362 -8.103 -0.966 1.00 20.55 H new ATOM 511 N ILE A 40 3.785 -7.736 1.025 1.00 34.12 N ATOM 512 CA ILE A 40 2.851 -6.796 1.577 1.00 2.44 C ATOM 513 C ILE A 40 1.443 -7.368 1.446 1.00 71.12 C ATOM 514 O ILE A 40 0.739 -7.487 2.452 1.00 53.30 O ATOM 515 CB ILE A 40 3.016 -5.425 0.892 1.00 42.40 C ATOM 516 CG1 ILE A 40 4.479 -4.940 0.969 1.00 60.23 C ATOM 517 CG2 ILE A 40 2.100 -4.383 1.558 1.00 15.23 C ATOM 518 CD1 ILE A 40 5.309 -5.317 -0.261 1.00 44.44 C ATOM 0 H ILE A 40 3.716 -7.819 0.011 1.00 34.12 H new ATOM 0 HA ILE A 40 3.043 -6.633 2.638 1.00 2.44 H new ATOM 0 HB ILE A 40 2.738 -5.540 -0.156 1.00 42.40 H new ATOM 0 HG12 ILE A 40 4.489 -3.856 1.087 1.00 60.23 H new ATOM 0 HG13 ILE A 40 4.948 -5.362 1.858 1.00 60.23 H new ATOM 0 HG21 ILE A 40 2.226 -3.419 1.065 1.00 15.23 H new ATOM 0 HG22 ILE A 40 1.062 -4.702 1.470 1.00 15.23 H new ATOM 0 HG23 ILE A 40 2.362 -4.288 2.612 1.00 15.23 H new ATOM 0 HD11 ILE A 40 6.327 -4.946 -0.141 1.00 44.44 H new ATOM 0 HD12 ILE A 40 5.329 -6.402 -0.368 1.00 44.44 H new ATOM 0 HD13 ILE A 40 4.863 -4.873 -1.151 1.00 44.44 H new ATOM 529 N LEU A 41 1.016 -7.738 0.231 1.00 0.02 N ATOM 530 CA LEU A 41 -0.328 -8.280 0.021 1.00 0.11 C ATOM 531 C LEU A 41 -0.564 -9.476 0.928 1.00 62.51 C ATOM 532 O LEU A 41 -1.545 -9.476 1.671 1.00 52.34 O ATOM 533 CB LEU A 41 -0.618 -8.627 -1.445 1.00 20.44 C ATOM 534 CG LEU A 41 -0.916 -7.388 -2.306 1.00 33.21 C ATOM 535 CD1 LEU A 41 -1.129 -7.829 -3.754 1.00 35.23 C ATOM 536 CD2 LEU A 41 -2.159 -6.590 -1.871 1.00 75.50 C ATOM 0 H LEU A 41 1.581 -7.671 -0.616 1.00 0.02 H new ATOM 0 HA LEU A 41 -1.032 -7.491 0.285 1.00 0.11 H new ATOM 0 HB2 LEU A 41 0.238 -9.157 -1.864 1.00 20.44 H new ATOM 0 HB3 LEU A 41 -1.468 -9.308 -1.491 1.00 20.44 H new ATOM 0 HG LEU A 41 -0.056 -6.730 -2.186 1.00 33.21 H new ATOM 0 HD11 LEU A 41 -1.341 -6.957 -4.373 1.00 35.23 H new ATOM 0 HD12 LEU A 41 -0.229 -8.323 -4.120 1.00 35.23 H new ATOM 0 HD13 LEU A 41 -1.969 -8.522 -3.804 1.00 35.23 H new ATOM 0 HD21 LEU A 41 -2.292 -5.735 -2.533 1.00 75.50 H new ATOM 0 HD22 LEU A 41 -3.039 -7.231 -1.924 1.00 75.50 H new ATOM 0 HD23 LEU A 41 -2.026 -6.239 -0.848 1.00 75.50 H new ATOM 547 N GLY A 42 0.367 -10.431 0.935 1.00 35.42 N ATOM 548 CA GLY A 42 0.268 -11.645 1.721 1.00 72.10 C ATOM 549 C GLY A 42 0.748 -11.474 3.162 1.00 42.21 C ATOM 550 O GLY A 42 0.728 -12.460 3.897 1.00 62.42 O ATOM 0 H GLY A 42 1.223 -10.374 0.383 1.00 35.42 H new ATOM 0 HA2 GLY A 42 -0.769 -11.981 1.728 1.00 72.10 H new ATOM 0 HA3 GLY A 42 0.854 -12.429 1.241 1.00 72.10 H new ATOM 554 N ALA A 43 1.189 -10.285 3.602 1.00 2.41 N ATOM 555 CA ALA A 43 1.427 -10.045 5.026 1.00 44.42 C ATOM 556 C ALA A 43 0.114 -9.646 5.680 1.00 53.23 C ATOM 557 O ALA A 43 -0.278 -10.225 6.687 1.00 71.42 O ATOM 558 CB ALA A 43 2.490 -8.965 5.254 1.00 52.03 C ATOM 0 H ALA A 43 1.385 -9.487 2.998 1.00 2.41 H new ATOM 0 HA ALA A 43 1.807 -10.962 5.476 1.00 44.42 H new ATOM 0 HB1 ALA A 43 2.636 -8.818 6.324 1.00 52.03 H new ATOM 0 HB2 ALA A 43 3.430 -9.278 4.799 1.00 52.03 H new ATOM 0 HB3 ALA A 43 2.161 -8.030 4.801 1.00 52.03 H new ATOM 564 N LEU A 44 -0.561 -8.641 5.118 1.00 13.23 N ATOM 565 CA LEU A 44 -1.731 -8.041 5.751 1.00 40.32 C ATOM 566 C LEU A 44 -3.029 -8.601 5.182 1.00 75.43 C ATOM 567 O LEU A 44 -4.086 -8.158 5.605 1.00 72.42 O ATOM 568 CB LEU A 44 -1.714 -6.500 5.705 1.00 63.23 C ATOM 569 CG LEU A 44 -0.480 -5.767 6.266 1.00 44.04 C ATOM 570 CD1 LEU A 44 0.131 -6.460 7.481 1.00 3.34 C ATOM 571 CD2 LEU A 44 0.604 -5.567 5.208 1.00 23.35 C ATOM 0 H LEU A 44 -0.313 -8.225 4.220 1.00 13.23 H new ATOM 0 HA LEU A 44 -1.682 -8.319 6.804 1.00 40.32 H new ATOM 0 HB2 LEU A 44 -1.837 -6.197 4.665 1.00 63.23 H new ATOM 0 HB3 LEU A 44 -2.589 -6.141 6.247 1.00 63.23 H new ATOM 0 HG LEU A 44 -0.856 -4.794 6.583 1.00 44.04 H new ATOM 0 HD11 LEU A 44 0.995 -5.893 7.827 1.00 3.34 H new ATOM 0 HD12 LEU A 44 -0.609 -6.515 8.279 1.00 3.34 H new ATOM 0 HD13 LEU A 44 0.444 -7.467 7.206 1.00 3.34 H new ATOM 0 HD21 LEU A 44 1.453 -5.046 5.651 1.00 23.35 H new ATOM 0 HD22 LEU A 44 0.929 -6.537 4.832 1.00 23.35 H new ATOM 0 HD23 LEU A 44 0.204 -4.975 4.385 1.00 23.35 H new ATOM 582 N ALA A 45 -2.963 -9.568 4.262 1.00 21.23 N ATOM 583 CA ALA A 45 -4.086 -10.243 3.619 1.00 21.45 C ATOM 584 C ALA A 45 -5.308 -10.400 4.546 1.00 2.14 C ATOM 585 O ALA A 45 -6.340 -9.775 4.283 1.00 13.15 O ATOM 586 CB ALA A 45 -3.596 -11.563 2.996 1.00 54.04 C ATOM 0 H ALA A 45 -2.066 -9.920 3.928 1.00 21.23 H new ATOM 0 HA ALA A 45 -4.460 -9.614 2.812 1.00 21.45 H new ATOM 0 HB1 ALA A 45 -4.432 -12.070 2.515 1.00 54.04 H new ATOM 0 HB2 ALA A 45 -2.825 -11.352 2.255 1.00 54.04 H new ATOM 0 HB3 ALA A 45 -3.184 -12.203 3.776 1.00 54.04 H new ATOM 592 N PRO A 46 -5.233 -11.161 5.651 1.00 1.32 N ATOM 593 CA PRO A 46 -6.384 -11.311 6.530 1.00 42.13 C ATOM 594 C PRO A 46 -6.700 -10.075 7.357 1.00 72.44 C ATOM 595 O PRO A 46 -7.854 -9.889 7.740 1.00 32.22 O ATOM 596 CB PRO A 46 -6.052 -12.497 7.443 1.00 15.13 C ATOM 597 CG PRO A 46 -4.523 -12.526 7.461 1.00 33.32 C ATOM 598 CD PRO A 46 -4.135 -12.016 6.079 1.00 52.40 C ATOM 0 HA PRO A 46 -7.280 -11.471 5.930 1.00 42.13 H new ATOM 0 HB2 PRO A 46 -6.461 -12.358 8.444 1.00 15.13 H new ATOM 0 HB3 PRO A 46 -6.465 -13.428 7.056 1.00 15.13 H new ATOM 0 HG2 PRO A 46 -4.120 -11.891 8.250 1.00 33.32 H new ATOM 0 HG3 PRO A 46 -4.144 -13.533 7.637 1.00 33.32 H new ATOM 0 HD2 PRO A 46 -3.198 -11.461 6.116 1.00 52.40 H new ATOM 0 HD3 PRO A 46 -3.989 -12.843 5.384 1.00 52.40 H new ATOM 603 N TYR A 47 -5.732 -9.209 7.618 1.00 51.23 N ATOM 604 CA TYR A 47 -5.858 -8.109 8.560 1.00 75.14 C ATOM 605 C TYR A 47 -6.312 -6.809 7.896 1.00 23.21 C ATOM 606 O TYR A 47 -6.427 -5.790 8.582 1.00 72.42 O ATOM 607 CB TYR A 47 -4.500 -7.907 9.239 1.00 63.33 C ATOM 608 CG TYR A 47 -3.828 -9.180 9.720 1.00 0.25 C ATOM 609 CD1 TYR A 47 -4.568 -10.138 10.434 1.00 14.04 C ATOM 610 CD2 TYR A 47 -2.476 -9.424 9.432 1.00 61.20 C ATOM 611 CE1 TYR A 47 -3.968 -11.334 10.860 1.00 0.02 C ATOM 612 CE2 TYR A 47 -1.867 -10.626 9.833 1.00 40.23 C ATOM 613 CZ TYR A 47 -2.616 -11.588 10.546 1.00 53.41 C ATOM 614 OH TYR A 47 -2.054 -12.774 10.899 1.00 31.44 O ATOM 0 H TYR A 47 -4.817 -9.253 7.170 1.00 51.23 H new ATOM 0 HA TYR A 47 -6.628 -8.366 9.288 1.00 75.14 H new ATOM 0 HB2 TYR A 47 -3.832 -7.403 8.540 1.00 63.33 H new ATOM 0 HB3 TYR A 47 -4.632 -7.240 10.091 1.00 63.33 H new ATOM 0 HD1 TYR A 47 -5.608 -9.953 10.657 1.00 14.04 H new ATOM 0 HD2 TYR A 47 -1.899 -8.683 8.898 1.00 61.20 H new ATOM 0 HE1 TYR A 47 -4.539 -12.056 11.425 1.00 0.02 H new ATOM 0 HE2 TYR A 47 -0.830 -10.813 9.597 1.00 40.23 H new ATOM 0 HH TYR A 47 -1.118 -12.792 10.609 1.00 31.44 H new ATOM 623 N ALA A 48 -6.521 -6.819 6.579 1.00 63.13 N ATOM 624 CA ALA A 48 -6.660 -5.619 5.767 1.00 72.34 C ATOM 625 C ALA A 48 -7.440 -5.988 4.515 1.00 23.54 C ATOM 626 O ALA A 48 -6.928 -6.664 3.617 1.00 33.31 O ATOM 627 CB ALA A 48 -5.287 -5.021 5.414 1.00 2.45 C ATOM 0 H ALA A 48 -6.599 -7.681 6.040 1.00 63.13 H new ATOM 0 HA ALA A 48 -7.197 -4.852 6.326 1.00 72.34 H new ATOM 0 HB1 ALA A 48 -5.425 -4.126 4.807 1.00 2.45 H new ATOM 0 HB2 ALA A 48 -4.757 -4.760 6.330 1.00 2.45 H new ATOM 0 HB3 ALA A 48 -4.705 -5.753 4.854 1.00 2.45 H new ATOM 633 N VAL A 49 -8.694 -5.569 4.482 1.00 74.30 N ATOM 634 CA VAL A 49 -9.639 -5.849 3.421 1.00 53.40 C ATOM 635 C VAL A 49 -9.358 -4.837 2.307 1.00 31.51 C ATOM 636 O VAL A 49 -9.873 -3.719 2.322 1.00 2.22 O ATOM 637 CB VAL A 49 -11.046 -5.754 4.035 1.00 71.20 C ATOM 638 CG1 VAL A 49 -12.165 -5.799 2.989 1.00 24.42 C ATOM 639 CG2 VAL A 49 -11.309 -6.885 5.040 1.00 24.52 C ATOM 0 H VAL A 49 -9.096 -5.000 5.227 1.00 74.30 H new ATOM 0 HA VAL A 49 -9.554 -6.843 2.982 1.00 53.40 H new ATOM 0 HB VAL A 49 -11.062 -4.786 4.535 1.00 71.20 H new ATOM 0 HG11 VAL A 49 -13.132 -5.728 3.487 1.00 24.42 H new ATOM 0 HG12 VAL A 49 -12.051 -4.964 2.298 1.00 24.42 H new ATOM 0 HG13 VAL A 49 -12.110 -6.737 2.437 1.00 24.42 H new ATOM 0 HG21 VAL A 49 -12.313 -6.781 5.450 1.00 24.52 H new ATOM 0 HG22 VAL A 49 -11.221 -7.847 4.536 1.00 24.52 H new ATOM 0 HG23 VAL A 49 -10.580 -6.831 5.848 1.00 24.52 H new ATOM 649 N LEU A 50 -8.480 -5.199 1.370 1.00 42.21 N ATOM 650 CA LEU A 50 -8.065 -4.367 0.243 1.00 12.14 C ATOM 651 C LEU A 50 -7.612 -5.264 -0.915 1.00 62.34 C ATOM 652 O LEU A 50 -8.003 -6.434 -0.976 1.00 55.41 O ATOM 653 CB LEU A 50 -7.032 -3.312 0.699 1.00 1.42 C ATOM 654 CG LEU A 50 -5.846 -3.774 1.566 1.00 4.01 C ATOM 655 CD1 LEU A 50 -4.892 -4.729 0.837 1.00 51.41 C ATOM 656 CD2 LEU A 50 -5.067 -2.535 2.026 1.00 40.12 C ATOM 0 H LEU A 50 -8.024 -6.111 1.377 1.00 42.21 H new ATOM 0 HA LEU A 50 -8.903 -3.785 -0.141 1.00 12.14 H new ATOM 0 HB2 LEU A 50 -6.625 -2.838 -0.194 1.00 1.42 H new ATOM 0 HB3 LEU A 50 -7.568 -2.541 1.253 1.00 1.42 H new ATOM 0 HG LEU A 50 -6.257 -4.328 2.410 1.00 4.01 H new ATOM 0 HD11 LEU A 50 -4.080 -5.014 1.507 1.00 51.41 H new ATOM 0 HD12 LEU A 50 -5.437 -5.621 0.527 1.00 51.41 H new ATOM 0 HD13 LEU A 50 -4.480 -4.232 -0.041 1.00 51.41 H new ATOM 0 HD21 LEU A 50 -4.223 -2.844 2.642 1.00 40.12 H new ATOM 0 HD22 LEU A 50 -4.701 -1.991 1.155 1.00 40.12 H new ATOM 0 HD23 LEU A 50 -5.723 -1.888 2.608 1.00 40.12 H new ATOM 667 N SER A 51 -6.881 -4.715 -1.887 1.00 11.02 N ATOM 668 CA SER A 51 -6.149 -5.443 -2.917 1.00 71.51 C ATOM 669 C SER A 51 -5.013 -4.538 -3.413 1.00 12.41 C ATOM 670 O SER A 51 -4.753 -3.466 -2.853 1.00 64.42 O ATOM 671 CB SER A 51 -7.091 -5.853 -4.063 1.00 3.21 C ATOM 672 OG SER A 51 -6.576 -6.943 -4.804 1.00 12.12 O ATOM 0 H SER A 51 -6.781 -3.704 -1.979 1.00 11.02 H new ATOM 0 HA SER A 51 -5.730 -6.364 -2.512 1.00 71.51 H new ATOM 0 HB2 SER A 51 -8.066 -6.120 -3.654 1.00 3.21 H new ATOM 0 HB3 SER A 51 -7.246 -5.003 -4.727 1.00 3.21 H new ATOM 0 HG SER A 51 -7.202 -7.176 -5.521 1.00 12.12 H new ATOM 677 N SER A 52 -4.354 -4.960 -4.489 1.00 40.40 N ATOM 678 CA SER A 52 -3.196 -4.331 -5.109 1.00 11.34 C ATOM 679 C SER A 52 -3.451 -2.926 -5.666 1.00 62.41 C ATOM 680 O SER A 52 -2.500 -2.263 -6.067 1.00 40.12 O ATOM 681 CB SER A 52 -2.711 -5.274 -6.207 1.00 42.01 C ATOM 682 OG SER A 52 -3.748 -5.557 -7.129 1.00 2.32 O ATOM 0 H SER A 52 -4.635 -5.807 -4.982 1.00 40.40 H new ATOM 0 HA SER A 52 -2.441 -4.175 -4.338 1.00 11.34 H new ATOM 0 HB2 SER A 52 -1.867 -4.825 -6.730 1.00 42.01 H new ATOM 0 HB3 SER A 52 -2.352 -6.202 -5.762 1.00 42.01 H new ATOM 0 HG SER A 52 -3.412 -6.161 -7.824 1.00 2.32 H new ATOM 687 N SER A 53 -4.694 -2.442 -5.692 1.00 42.31 N ATOM 688 CA SER A 53 -4.963 -1.032 -5.950 1.00 3.01 C ATOM 689 C SER A 53 -4.482 -0.146 -4.791 1.00 53.10 C ATOM 690 O SER A 53 -3.934 0.933 -5.012 1.00 43.13 O ATOM 691 CB SER A 53 -6.464 -0.842 -6.158 1.00 43.43 C ATOM 692 OG SER A 53 -6.894 -1.459 -7.361 1.00 42.23 O ATOM 0 H SER A 53 -5.528 -3.008 -5.537 1.00 42.31 H new ATOM 0 HA SER A 53 -4.417 -0.733 -6.845 1.00 3.01 H new ATOM 0 HB2 SER A 53 -7.008 -1.265 -5.314 1.00 43.43 H new ATOM 0 HB3 SER A 53 -6.699 0.222 -6.187 1.00 43.43 H new ATOM 0 HG SER A 53 -7.859 -1.325 -7.471 1.00 42.23 H new ATOM 697 N ASN A 54 -4.729 -0.575 -3.551 1.00 35.45 N ATOM 698 CA ASN A 54 -4.447 0.204 -2.345 1.00 42.22 C ATOM 699 C ASN A 54 -2.957 0.218 -2.029 1.00 42.40 C ATOM 700 O ASN A 54 -2.439 1.214 -1.531 1.00 31.41 O ATOM 701 CB ASN A 54 -5.149 -0.413 -1.130 1.00 31.54 C ATOM 702 CG ASN A 54 -6.657 -0.277 -1.185 1.00 23.12 C ATOM 703 OD1 ASN A 54 -7.328 -1.018 -1.900 1.00 53.20 O ATOM 704 ND2 ASN A 54 -7.220 0.653 -0.437 1.00 2.23 N ATOM 0 H ASN A 54 -5.137 -1.489 -3.355 1.00 35.45 H new ATOM 0 HA ASN A 54 -4.805 1.216 -2.537 1.00 42.22 H new ATOM 0 HB2 ASN A 54 -4.887 -1.469 -1.064 1.00 31.54 H new ATOM 0 HB3 ASN A 54 -4.780 0.065 -0.223 1.00 31.54 H new ATOM 0 HD21 ASN A 54 -8.233 0.769 -0.444 1.00 2.23 H new ATOM 0 HD22 ASN A 54 -6.642 1.256 0.148 1.00 2.23 H new ATOM 710 N VAL A 55 -2.293 -0.921 -2.222 1.00 55.02 N ATOM 711 CA VAL A 55 -0.867 -1.100 -2.009 1.00 55.43 C ATOM 712 C VAL A 55 -0.177 -0.671 -3.303 1.00 23.45 C ATOM 713 O VAL A 55 -0.610 -1.068 -4.383 1.00 73.31 O ATOM 714 CB VAL A 55 -0.601 -2.582 -1.663 1.00 42.10 C ATOM 715 CG1 VAL A 55 0.884 -2.837 -1.398 1.00 43.10 C ATOM 716 CG2 VAL A 55 -1.387 -3.021 -0.413 1.00 63.42 C ATOM 0 H VAL A 55 -2.755 -1.772 -2.543 1.00 55.02 H new ATOM 0 HA VAL A 55 -0.483 -0.503 -1.182 1.00 55.43 H new ATOM 0 HB VAL A 55 -0.929 -3.159 -2.528 1.00 42.10 H new ATOM 0 HG11 VAL A 55 1.035 -3.889 -1.158 1.00 43.10 H new ATOM 0 HG12 VAL A 55 1.461 -2.581 -2.286 1.00 43.10 H new ATOM 0 HG13 VAL A 55 1.215 -2.222 -0.561 1.00 43.10 H new ATOM 0 HG21 VAL A 55 -1.175 -4.069 -0.200 1.00 63.42 H new ATOM 0 HG22 VAL A 55 -1.088 -2.410 0.438 1.00 63.42 H new ATOM 0 HG23 VAL A 55 -2.455 -2.896 -0.592 1.00 63.42 H new ATOM 726 N ARG A 56 0.896 0.118 -3.232 1.00 33.11 N ATOM 727 CA ARG A 56 1.626 0.565 -4.411 1.00 52.01 C ATOM 728 C ARG A 56 3.112 0.474 -4.131 1.00 0.03 C ATOM 729 O ARG A 56 3.538 0.755 -3.014 1.00 14.45 O ATOM 730 CB ARG A 56 1.193 2.010 -4.726 1.00 61.42 C ATOM 731 CG ARG A 56 1.343 2.396 -6.201 1.00 24.22 C ATOM 732 CD ARG A 56 0.487 1.480 -7.087 1.00 62.30 C ATOM 733 NE ARG A 56 0.079 2.085 -8.365 1.00 60.24 N ATOM 734 CZ ARG A 56 -0.565 1.411 -9.328 1.00 24.52 C ATOM 735 NH1 ARG A 56 -0.648 0.086 -9.275 1.00 20.12 N ATOM 736 NH2 ARG A 56 -1.119 2.044 -10.349 1.00 34.24 N ATOM 0 H ARG A 56 1.281 0.463 -2.353 1.00 33.11 H new ATOM 0 HA ARG A 56 1.408 -0.061 -5.277 1.00 52.01 H new ATOM 0 HB2 ARG A 56 0.152 2.139 -4.431 1.00 61.42 H new ATOM 0 HB3 ARG A 56 1.784 2.696 -4.119 1.00 61.42 H new ATOM 0 HG2 ARG A 56 1.042 3.434 -6.344 1.00 24.22 H new ATOM 0 HG3 ARG A 56 2.389 2.324 -6.497 1.00 24.22 H new ATOM 0 HD2 ARG A 56 1.046 0.567 -7.292 1.00 62.30 H new ATOM 0 HD3 ARG A 56 -0.406 1.190 -6.534 1.00 62.30 H new ATOM 0 HE ARG A 56 0.298 3.068 -8.526 1.00 60.24 H new ATOM 0 HH11 ARG A 56 -0.221 -0.421 -8.500 1.00 20.12 H new ATOM 0 HH12 ARG A 56 -1.139 -0.424 -10.009 1.00 20.12 H new ATOM 0 HH21 ARG A 56 -1.060 3.060 -10.412 1.00 34.24 H new ATOM 0 HH22 ARG A 56 -1.605 1.516 -11.073 1.00 34.24 H new ATOM 747 N VAL A 57 3.918 0.148 -5.135 1.00 72.54 N ATOM 748 CA VAL A 57 5.369 0.110 -5.021 1.00 42.03 C ATOM 749 C VAL A 57 5.928 0.991 -6.128 1.00 34.32 C ATOM 750 O VAL A 57 5.662 0.774 -7.313 1.00 1.12 O ATOM 751 CB VAL A 57 5.883 -1.346 -4.968 1.00 23.34 C ATOM 752 CG1 VAL A 57 5.407 -2.232 -6.131 1.00 75.51 C ATOM 753 CG2 VAL A 57 7.413 -1.391 -4.874 1.00 1.13 C ATOM 0 H VAL A 57 3.576 -0.101 -6.063 1.00 72.54 H new ATOM 0 HA VAL A 57 5.731 0.522 -4.079 1.00 42.03 H new ATOM 0 HB VAL A 57 5.442 -1.764 -4.063 1.00 23.34 H new ATOM 0 HG11 VAL A 57 5.815 -3.236 -6.014 1.00 75.51 H new ATOM 0 HG12 VAL A 57 4.318 -2.280 -6.130 1.00 75.51 H new ATOM 0 HG13 VAL A 57 5.750 -1.809 -7.075 1.00 75.51 H new ATOM 0 HG21 VAL A 57 7.745 -2.429 -4.838 1.00 1.13 H new ATOM 0 HG22 VAL A 57 7.846 -0.901 -5.746 1.00 1.13 H new ATOM 0 HG23 VAL A 57 7.737 -0.875 -3.970 1.00 1.13 H new ATOM 763 N ILE A 58 6.596 2.074 -5.742 1.00 40.04 N ATOM 764 CA ILE A 58 7.359 2.900 -6.670 1.00 21.34 C ATOM 765 C ILE A 58 8.665 2.168 -6.981 1.00 15.44 C ATOM 766 O ILE A 58 9.205 1.436 -6.147 1.00 54.01 O ATOM 767 CB ILE A 58 7.603 4.320 -6.103 1.00 11.33 C ATOM 768 CG1 ILE A 58 6.400 4.905 -5.327 1.00 51.31 C ATOM 769 CG2 ILE A 58 7.991 5.311 -7.220 1.00 74.14 C ATOM 770 CD1 ILE A 58 5.116 5.017 -6.155 1.00 74.32 C ATOM 0 H ILE A 58 6.623 2.403 -4.777 1.00 40.04 H new ATOM 0 HA ILE A 58 6.796 3.048 -7.592 1.00 21.34 H new ATOM 0 HB ILE A 58 8.424 4.196 -5.397 1.00 11.33 H new ATOM 0 HG12 ILE A 58 6.204 4.280 -4.456 1.00 51.31 H new ATOM 0 HG13 ILE A 58 6.667 5.894 -4.955 1.00 51.31 H new ATOM 0 HG21 ILE A 58 8.155 6.299 -6.789 1.00 74.14 H new ATOM 0 HG22 ILE A 58 8.905 4.971 -7.707 1.00 74.14 H new ATOM 0 HG23 ILE A 58 7.187 5.365 -7.954 1.00 74.14 H new ATOM 0 HD11 ILE A 58 4.321 5.436 -5.538 1.00 74.32 H new ATOM 0 HD12 ILE A 58 5.291 5.667 -7.012 1.00 74.32 H new ATOM 0 HD13 ILE A 58 4.821 4.028 -6.505 1.00 74.32 H new ATOM 781 N LYS A 59 9.153 2.364 -8.201 1.00 15.22 N ATOM 782 CA LYS A 59 10.357 1.740 -8.719 1.00 52.11 C ATOM 783 C LYS A 59 11.337 2.827 -9.131 1.00 41.02 C ATOM 784 O LYS A 59 11.028 4.022 -9.077 1.00 0.34 O ATOM 785 CB LYS A 59 10.002 0.798 -9.883 1.00 73.13 C ATOM 786 CG LYS A 59 9.126 -0.382 -9.419 1.00 34.33 C ATOM 787 CD LYS A 59 8.508 -1.190 -10.564 1.00 71.24 C ATOM 788 CE LYS A 59 9.556 -1.659 -11.568 1.00 4.33 C ATOM 789 NZ LYS A 59 8.928 -2.124 -12.824 1.00 52.32 N ATOM 0 H LYS A 59 8.704 2.983 -8.876 1.00 15.22 H new ATOM 0 HA LYS A 59 10.833 1.130 -7.951 1.00 52.11 H new ATOM 0 HB2 LYS A 59 9.477 1.358 -10.656 1.00 73.13 H new ATOM 0 HB3 LYS A 59 10.918 0.415 -10.333 1.00 73.13 H new ATOM 0 HG2 LYS A 59 9.730 -1.048 -8.803 1.00 34.33 H new ATOM 0 HG3 LYS A 59 8.326 0.001 -8.785 1.00 34.33 H new ATOM 0 HD2 LYS A 59 7.986 -2.055 -10.156 1.00 71.24 H new ATOM 0 HD3 LYS A 59 7.763 -0.581 -11.076 1.00 71.24 H new ATOM 0 HE2 LYS A 59 10.246 -0.843 -11.784 1.00 4.33 H new ATOM 0 HE3 LYS A 59 10.144 -2.467 -11.132 1.00 4.33 H new ATOM 0 HZ1 LYS A 59 9.666 -2.436 -13.486 1.00 52.32 H new ATOM 0 HZ2 LYS A 59 8.288 -2.918 -12.619 1.00 52.32 H new ATOM 0 HZ3 LYS A 59 8.387 -1.345 -13.251 1.00 52.32 H new ATOM 799 N ASP A 60 12.538 2.406 -9.494 1.00 15.33 N ATOM 800 CA ASP A 60 13.608 3.248 -9.973 1.00 51.11 C ATOM 801 C ASP A 60 13.300 3.800 -11.372 1.00 1.12 C ATOM 802 O ASP A 60 12.249 3.527 -11.961 1.00 1.35 O ATOM 803 CB ASP A 60 14.897 2.416 -9.892 1.00 73.40 C ATOM 804 CG ASP A 60 16.163 3.199 -10.217 1.00 61.13 C ATOM 805 OD1 ASP A 60 16.193 4.433 -9.991 1.00 22.52 O ATOM 806 OD2 ASP A 60 17.106 2.584 -10.742 1.00 22.43 O ATOM 0 H ASP A 60 12.799 1.421 -9.459 1.00 15.33 H new ATOM 0 HA ASP A 60 13.728 4.140 -9.359 1.00 51.11 H new ATOM 0 HB2 ASP A 60 14.987 2.001 -8.888 1.00 73.40 H new ATOM 0 HB3 ASP A 60 14.817 1.574 -10.579 1.00 73.40 H new ATOM 810 N LYS A 61 14.195 4.638 -11.887 1.00 33.22 N ATOM 811 CA LYS A 61 14.199 5.179 -13.229 1.00 12.45 C ATOM 812 C LYS A 61 15.413 4.670 -14.008 1.00 24.32 C ATOM 813 O LYS A 61 15.316 4.517 -15.225 1.00 53.01 O ATOM 814 CB LYS A 61 14.167 6.706 -13.098 1.00 63.31 C ATOM 815 CG LYS A 61 14.279 7.452 -14.428 1.00 15.23 C ATOM 816 CD LYS A 61 13.181 7.037 -15.413 1.00 33.24 C ATOM 817 CE LYS A 61 13.243 7.970 -16.620 1.00 35.41 C ATOM 818 NZ LYS A 61 12.373 7.530 -17.724 1.00 22.33 N ATOM 0 H LYS A 61 14.985 4.975 -11.337 1.00 33.22 H new ATOM 0 HA LYS A 61 13.329 4.852 -13.798 1.00 12.45 H new ATOM 0 HB2 LYS A 61 13.238 6.998 -12.608 1.00 63.31 H new ATOM 0 HB3 LYS A 61 14.983 7.021 -12.448 1.00 63.31 H new ATOM 0 HG2 LYS A 61 14.218 8.525 -14.248 1.00 15.23 H new ATOM 0 HG3 LYS A 61 15.256 7.258 -14.871 1.00 15.23 H new ATOM 0 HD2 LYS A 61 13.322 6.002 -15.725 1.00 33.24 H new ATOM 0 HD3 LYS A 61 12.202 7.096 -14.937 1.00 33.24 H new ATOM 0 HE2 LYS A 61 12.953 8.975 -16.313 1.00 35.41 H new ATOM 0 HE3 LYS A 61 14.272 8.030 -16.975 1.00 35.41 H new ATOM 0 HZ1 LYS A 61 12.453 8.198 -18.517 1.00 22.33 H new ATOM 0 HZ2 LYS A 61 12.664 6.583 -18.039 1.00 22.33 H new ATOM 0 HZ3 LYS A 61 11.386 7.498 -17.397 1.00 22.33 H new ATOM 828 N GLN A 62 16.548 4.417 -13.345 1.00 33.51 N ATOM 829 CA GLN A 62 17.725 3.865 -14.012 1.00 41.30 C ATOM 830 C GLN A 62 17.469 2.395 -14.356 1.00 44.21 C ATOM 831 O GLN A 62 17.728 1.936 -15.467 1.00 14.05 O ATOM 832 CB GLN A 62 18.981 4.029 -13.149 1.00 54.42 C ATOM 833 CG GLN A 62 19.135 5.446 -12.565 1.00 13.25 C ATOM 834 CD GLN A 62 20.579 5.788 -12.201 1.00 44.43 C ATOM 835 OE1 GLN A 62 21.501 5.547 -12.980 1.00 32.22 O ATOM 836 NE2 GLN A 62 20.818 6.378 -11.044 1.00 2.05 N ATOM 0 H GLN A 62 16.672 4.587 -12.347 1.00 33.51 H new ATOM 0 HA GLN A 62 17.903 4.417 -14.935 1.00 41.30 H new ATOM 0 HB2 GLN A 62 18.950 3.308 -12.332 1.00 54.42 H new ATOM 0 HB3 GLN A 62 19.860 3.793 -13.749 1.00 54.42 H new ATOM 0 HG2 GLN A 62 18.767 6.173 -13.289 1.00 13.25 H new ATOM 0 HG3 GLN A 62 18.511 5.536 -11.676 1.00 13.25 H new ATOM 0 HE21 GLN A 62 20.049 6.575 -10.403 1.00 2.05 H new ATOM 0 HE22 GLN A 62 21.772 6.637 -10.791 1.00 2.05 H new ATOM 843 N THR A 63 16.916 1.672 -13.390 1.00 71.22 N ATOM 844 CA THR A 63 16.636 0.250 -13.430 1.00 61.42 C ATOM 845 C THR A 63 15.131 0.035 -13.264 1.00 42.43 C ATOM 846 O THR A 63 14.357 0.997 -13.222 1.00 51.20 O ATOM 847 CB THR A 63 17.463 -0.445 -12.334 1.00 31.24 C ATOM 848 OG1 THR A 63 17.039 -0.022 -11.057 1.00 51.41 O ATOM 849 CG2 THR A 63 18.964 -0.179 -12.464 1.00 75.52 C ATOM 0 H THR A 63 16.635 2.093 -12.505 1.00 71.22 H new ATOM 0 HA THR A 63 16.922 -0.188 -14.386 1.00 61.42 H new ATOM 0 HB THR A 63 17.298 -1.515 -12.459 1.00 31.24 H new ATOM 0 HG1 THR A 63 17.193 0.941 -10.964 1.00 51.41 H new ATOM 0 HG21 THR A 63 19.495 -0.694 -11.664 1.00 75.52 H new ATOM 0 HG22 THR A 63 19.316 -0.545 -13.428 1.00 75.52 H new ATOM 0 HG23 THR A 63 19.151 0.892 -12.392 1.00 75.52 H new ATOM 857 N GLN A 64 14.692 -1.218 -13.168 1.00 24.11 N ATOM 858 CA GLN A 64 13.301 -1.602 -12.965 1.00 51.01 C ATOM 859 C GLN A 64 13.132 -2.320 -11.626 1.00 60.43 C ATOM 860 O GLN A 64 12.455 -3.343 -11.518 1.00 15.11 O ATOM 861 CB GLN A 64 12.814 -2.387 -14.195 1.00 41.33 C ATOM 862 CG GLN A 64 12.776 -1.502 -15.453 1.00 3.13 C ATOM 863 CD GLN A 64 11.696 -0.431 -15.336 1.00 73.23 C ATOM 864 OE1 GLN A 64 10.545 -0.672 -15.693 1.00 75.41 O ATOM 865 NE2 GLN A 64 11.985 0.735 -14.781 1.00 4.24 N ATOM 0 H GLN A 64 15.319 -2.020 -13.232 1.00 24.11 H new ATOM 0 HA GLN A 64 12.656 -0.726 -12.888 1.00 51.01 H new ATOM 0 HB2 GLN A 64 13.472 -3.238 -14.368 1.00 41.33 H new ATOM 0 HB3 GLN A 64 11.819 -2.788 -14.001 1.00 41.33 H new ATOM 0 HG2 GLN A 64 13.747 -1.029 -15.599 1.00 3.13 H new ATOM 0 HG3 GLN A 64 12.587 -2.120 -16.331 1.00 3.13 H new ATOM 0 HE21 GLN A 64 12.940 0.936 -14.484 1.00 4.24 H new ATOM 0 HE22 GLN A 64 11.253 1.433 -14.650 1.00 4.24 H new ATOM 872 N LEU A 65 13.732 -1.734 -10.595 1.00 13.01 N ATOM 873 CA LEU A 65 13.865 -2.260 -9.243 1.00 12.35 C ATOM 874 C LEU A 65 13.168 -1.302 -8.286 1.00 0.02 C ATOM 875 O LEU A 65 12.780 -0.213 -8.699 1.00 43.34 O ATOM 876 CB LEU A 65 15.352 -2.338 -8.878 1.00 3.12 C ATOM 877 CG LEU A 65 16.206 -3.210 -9.814 1.00 1.23 C ATOM 878 CD1 LEU A 65 17.678 -2.980 -9.481 1.00 74.50 C ATOM 879 CD2 LEU A 65 15.856 -4.698 -9.703 1.00 63.20 C ATOM 0 H LEU A 65 14.168 -0.817 -10.690 1.00 13.01 H new ATOM 0 HA LEU A 65 13.420 -3.253 -9.178 1.00 12.35 H new ATOM 0 HB2 LEU A 65 15.763 -1.328 -8.872 1.00 3.12 H new ATOM 0 HB3 LEU A 65 15.442 -2.725 -7.863 1.00 3.12 H new ATOM 0 HG LEU A 65 15.999 -2.920 -10.844 1.00 1.23 H new ATOM 0 HD11 LEU A 65 18.299 -3.591 -10.136 1.00 74.50 H new ATOM 0 HD12 LEU A 65 17.924 -1.928 -9.626 1.00 74.50 H new ATOM 0 HD13 LEU A 65 17.864 -3.256 -8.443 1.00 74.50 H new ATOM 0 HD21 LEU A 65 16.486 -5.272 -10.383 1.00 63.20 H new ATOM 0 HD22 LEU A 65 16.024 -5.036 -8.680 1.00 63.20 H new ATOM 0 HD23 LEU A 65 14.809 -4.846 -9.966 1.00 63.20 H new ATOM 890 N ASN A 66 13.033 -1.663 -7.011 1.00 74.30 N ATOM 891 CA ASN A 66 12.452 -0.767 -6.010 1.00 14.35 C ATOM 892 C ASN A 66 13.423 0.374 -5.688 1.00 63.53 C ATOM 893 O ASN A 66 14.580 0.375 -6.116 1.00 52.43 O ATOM 894 CB ASN A 66 12.095 -1.537 -4.726 1.00 33.13 C ATOM 895 CG ASN A 66 11.150 -2.695 -4.997 1.00 24.31 C ATOM 896 OD1 ASN A 66 10.303 -2.641 -5.883 1.00 54.24 O ATOM 897 ND2 ASN A 66 11.344 -3.796 -4.305 1.00 23.35 N ATOM 0 H ASN A 66 13.318 -2.571 -6.645 1.00 74.30 H new ATOM 0 HA ASN A 66 11.536 -0.345 -6.423 1.00 14.35 H new ATOM 0 HB2 ASN A 66 13.008 -1.915 -4.265 1.00 33.13 H new ATOM 0 HB3 ASN A 66 11.636 -0.855 -4.011 1.00 33.13 H new ATOM 0 HD21 ASN A 66 10.785 -4.626 -4.501 1.00 23.35 H new ATOM 0 HD22 ASN A 66 12.053 -3.820 -3.573 1.00 23.35 H new ATOM 903 N ARG A 67 12.983 1.336 -4.873 1.00 34.35 N ATOM 904 CA ARG A 67 13.847 2.348 -4.253 1.00 1.05 C ATOM 905 C ARG A 67 13.710 2.286 -2.732 1.00 62.43 C ATOM 906 O ARG A 67 13.577 3.310 -2.061 1.00 34.52 O ATOM 907 CB ARG A 67 13.559 3.740 -4.843 1.00 61.12 C ATOM 908 CG ARG A 67 14.124 3.914 -6.263 1.00 55.13 C ATOM 909 CD ARG A 67 13.880 5.340 -6.783 1.00 13.02 C ATOM 910 NE ARG A 67 14.822 5.715 -7.850 1.00 20.25 N ATOM 911 CZ ARG A 67 14.995 6.932 -8.373 1.00 41.11 C ATOM 912 NH1 ARG A 67 14.239 7.957 -7.990 1.00 13.21 N ATOM 913 NH2 ARG A 67 15.932 7.081 -9.296 1.00 44.21 N ATOM 0 H ARG A 67 12.000 1.437 -4.620 1.00 34.35 H new ATOM 0 HA ARG A 67 14.892 2.137 -4.482 1.00 1.05 H new ATOM 0 HB2 ARG A 67 12.482 3.905 -4.863 1.00 61.12 H new ATOM 0 HB3 ARG A 67 13.987 4.502 -4.191 1.00 61.12 H new ATOM 0 HG2 ARG A 67 15.193 3.702 -6.261 1.00 55.13 H new ATOM 0 HG3 ARG A 67 13.657 3.193 -6.935 1.00 55.13 H new ATOM 0 HD2 ARG A 67 12.860 5.418 -7.159 1.00 13.02 H new ATOM 0 HD3 ARG A 67 13.970 6.046 -5.957 1.00 13.02 H new ATOM 0 HE ARG A 67 15.403 4.968 -8.230 1.00 20.25 H new ATOM 0 HH11 ARG A 67 13.513 7.821 -7.286 1.00 13.21 H new ATOM 0 HH12 ARG A 67 14.385 8.880 -8.400 1.00 13.21 H new ATOM 0 HH21 ARG A 67 16.494 6.281 -9.586 1.00 44.21 H new ATOM 0 HH22 ARG A 67 16.092 7.996 -9.717 1.00 44.21 H new ATOM 924 N GLY A 68 13.684 1.080 -2.169 1.00 23.21 N ATOM 925 CA GLY A 68 13.769 0.851 -0.734 1.00 44.02 C ATOM 926 C GLY A 68 12.529 1.244 0.062 1.00 75.52 C ATOM 927 O GLY A 68 12.531 1.066 1.280 1.00 40.43 O ATOM 0 H GLY A 68 13.602 0.220 -2.711 1.00 23.21 H new ATOM 0 HA2 GLY A 68 13.971 -0.206 -0.563 1.00 44.02 H new ATOM 0 HA3 GLY A 68 14.622 1.406 -0.344 1.00 44.02 H new ATOM 931 N PHE A 69 11.488 1.773 -0.579 1.00 32.14 N ATOM 932 CA PHE A 69 10.278 2.272 0.054 1.00 74.42 C ATOM 933 C PHE A 69 9.093 1.976 -0.862 1.00 32.54 C ATOM 934 O PHE A 69 9.292 1.691 -2.048 1.00 2.42 O ATOM 935 CB PHE A 69 10.423 3.776 0.361 1.00 73.12 C ATOM 936 CG PHE A 69 10.013 4.757 -0.732 1.00 0.03 C ATOM 937 CD1 PHE A 69 10.442 4.612 -2.066 1.00 72.54 C ATOM 938 CD2 PHE A 69 9.182 5.843 -0.399 1.00 24.25 C ATOM 939 CE1 PHE A 69 10.017 5.518 -3.054 1.00 44.32 C ATOM 940 CE2 PHE A 69 8.731 6.732 -1.391 1.00 62.12 C ATOM 941 CZ PHE A 69 9.140 6.565 -2.725 1.00 61.23 C ATOM 0 H PHE A 69 11.468 1.867 -1.594 1.00 32.14 H new ATOM 0 HA PHE A 69 10.107 1.772 1.007 1.00 74.42 H new ATOM 0 HB2 PHE A 69 9.833 3.997 1.251 1.00 73.12 H new ATOM 0 HB3 PHE A 69 11.466 3.969 0.614 1.00 73.12 H new ATOM 0 HD1 PHE A 69 11.102 3.799 -2.332 1.00 72.54 H new ATOM 0 HD2 PHE A 69 8.888 5.995 0.629 1.00 24.25 H new ATOM 0 HE1 PHE A 69 10.366 5.408 -4.070 1.00 44.32 H new ATOM 0 HE2 PHE A 69 8.070 7.544 -1.127 1.00 62.12 H new ATOM 0 HZ PHE A 69 8.783 7.237 -3.492 1.00 61.23 H new ATOM 950 N ALA A 70 7.875 2.043 -0.328 1.00 4.31 N ATOM 951 CA ALA A 70 6.638 1.837 -1.070 1.00 12.15 C ATOM 952 C ALA A 70 5.472 2.421 -0.264 1.00 51.13 C ATOM 953 O ALA A 70 5.671 2.799 0.887 1.00 4.04 O ATOM 954 CB ALA A 70 6.454 0.340 -1.295 1.00 62.42 C ATOM 0 H ALA A 70 7.720 2.248 0.659 1.00 4.31 H new ATOM 0 HA ALA A 70 6.673 2.338 -2.038 1.00 12.15 H new ATOM 0 HB1 ALA A 70 5.532 0.166 -1.850 1.00 62.42 H new ATOM 0 HB2 ALA A 70 7.299 -0.049 -1.864 1.00 62.42 H new ATOM 0 HB3 ALA A 70 6.400 -0.169 -0.332 1.00 62.42 H new ATOM 960 N PHE A 71 4.271 2.487 -0.839 1.00 21.43 N ATOM 961 CA PHE A 71 3.117 3.248 -0.352 1.00 64.44 C ATOM 962 C PHE A 71 1.924 2.323 -0.090 1.00 64.20 C ATOM 963 O PHE A 71 1.792 1.294 -0.762 1.00 51.24 O ATOM 964 CB PHE A 71 2.732 4.250 -1.451 1.00 35.22 C ATOM 965 CG PHE A 71 3.348 5.623 -1.299 1.00 0.44 C ATOM 966 CD1 PHE A 71 3.048 6.390 -0.161 1.00 3.01 C ATOM 967 CD2 PHE A 71 4.166 6.165 -2.308 1.00 32.22 C ATOM 968 CE1 PHE A 71 3.564 7.687 -0.027 1.00 4.43 C ATOM 969 CE2 PHE A 71 4.679 7.467 -2.175 1.00 54.24 C ATOM 970 CZ PHE A 71 4.382 8.230 -1.031 1.00 21.33 C ATOM 0 H PHE A 71 4.065 1.985 -1.703 1.00 21.43 H new ATOM 0 HA PHE A 71 3.374 3.749 0.581 1.00 64.44 H new ATOM 0 HB2 PHE A 71 3.026 3.840 -2.417 1.00 35.22 H new ATOM 0 HB3 PHE A 71 1.647 4.353 -1.466 1.00 35.22 H new ATOM 0 HD1 PHE A 71 2.418 5.979 0.614 1.00 3.01 H new ATOM 0 HD2 PHE A 71 4.400 5.580 -3.185 1.00 32.22 H new ATOM 0 HE1 PHE A 71 3.331 8.270 0.852 1.00 4.43 H new ATOM 0 HE2 PHE A 71 5.303 7.882 -2.953 1.00 54.24 H new ATOM 0 HZ PHE A 71 4.781 9.228 -0.925 1.00 21.33 H new ATOM 979 N ILE A 72 1.006 2.698 0.810 1.00 51.01 N ATOM 980 CA ILE A 72 -0.305 2.057 0.954 1.00 52.44 C ATOM 981 C ILE A 72 -1.337 3.134 1.321 1.00 0.22 C ATOM 982 O ILE A 72 -1.040 4.021 2.125 1.00 43.04 O ATOM 983 CB ILE A 72 -0.277 0.920 2.009 1.00 13.33 C ATOM 984 CG1 ILE A 72 0.848 -0.103 1.760 1.00 41.00 C ATOM 985 CG2 ILE A 72 -1.639 0.199 2.031 1.00 2.15 C ATOM 986 CD1 ILE A 72 0.906 -1.216 2.802 1.00 41.01 C ATOM 0 H ILE A 72 1.156 3.465 1.466 1.00 51.01 H new ATOM 0 HA ILE A 72 -0.582 1.590 0.009 1.00 52.44 H new ATOM 0 HB ILE A 72 -0.077 1.385 2.974 1.00 13.33 H new ATOM 0 HG12 ILE A 72 0.712 -0.547 0.774 1.00 41.00 H new ATOM 0 HG13 ILE A 72 1.805 0.419 1.745 1.00 41.00 H new ATOM 0 HG21 ILE A 72 -1.616 -0.599 2.773 1.00 2.15 H new ATOM 0 HG22 ILE A 72 -2.423 0.911 2.288 1.00 2.15 H new ATOM 0 HG23 ILE A 72 -1.842 -0.225 1.048 1.00 2.15 H new ATOM 0 HD11 ILE A 72 1.722 -1.898 2.561 1.00 41.01 H new ATOM 0 HD12 ILE A 72 1.074 -0.783 3.788 1.00 41.01 H new ATOM 0 HD13 ILE A 72 -0.036 -1.764 2.802 1.00 41.01 H new ATOM 997 N GLN A 73 -2.551 3.036 0.765 1.00 55.22 N ATOM 998 CA GLN A 73 -3.663 3.958 0.983 1.00 35.32 C ATOM 999 C GLN A 73 -4.831 3.285 1.706 1.00 22.15 C ATOM 1000 O GLN A 73 -5.543 2.462 1.120 1.00 21.12 O ATOM 1001 CB GLN A 73 -4.148 4.514 -0.361 1.00 23.25 C ATOM 1002 CG GLN A 73 -3.167 5.530 -0.938 1.00 61.44 C ATOM 1003 CD GLN A 73 -3.643 6.004 -2.304 1.00 73.30 C ATOM 1004 OE1 GLN A 73 -3.240 5.470 -3.331 1.00 1.23 O ATOM 1005 NE2 GLN A 73 -4.500 7.007 -2.364 1.00 2.15 N ATOM 0 H GLN A 73 -2.791 2.279 0.125 1.00 55.22 H new ATOM 0 HA GLN A 73 -3.299 4.768 1.615 1.00 35.32 H new ATOM 0 HB2 GLN A 73 -4.281 3.694 -1.067 1.00 23.25 H new ATOM 0 HB3 GLN A 73 -5.123 4.983 -0.230 1.00 23.25 H new ATOM 0 HG2 GLN A 73 -3.073 6.380 -0.262 1.00 61.44 H new ATOM 0 HG3 GLN A 73 -2.177 5.082 -1.025 1.00 61.44 H new ATOM 0 HE21 GLN A 73 -4.831 7.447 -1.505 1.00 2.15 H new ATOM 0 HE22 GLN A 73 -4.831 7.342 -3.269 1.00 2.15 H new ATOM 1012 N LEU A 74 -5.057 3.688 2.956 1.00 32.42 N ATOM 1013 CA LEU A 74 -6.260 3.475 3.765 1.00 73.24 C ATOM 1014 C LEU A 74 -6.771 4.859 4.222 1.00 62.13 C ATOM 1015 O LEU A 74 -6.178 5.885 3.873 1.00 54.44 O ATOM 1016 CB LEU A 74 -5.947 2.597 4.991 1.00 11.45 C ATOM 1017 CG LEU A 74 -5.725 1.087 4.778 1.00 43.03 C ATOM 1018 CD1 LEU A 74 -4.433 0.746 4.034 1.00 62.21 C ATOM 1019 CD2 LEU A 74 -5.644 0.442 6.162 1.00 3.42 C ATOM 0 H LEU A 74 -4.350 4.213 3.471 1.00 32.42 H new ATOM 0 HA LEU A 74 -7.018 2.960 3.175 1.00 73.24 H new ATOM 0 HB2 LEU A 74 -5.053 2.999 5.467 1.00 11.45 H new ATOM 0 HB3 LEU A 74 -6.766 2.715 5.700 1.00 11.45 H new ATOM 0 HG LEU A 74 -6.550 0.720 4.168 1.00 43.03 H new ATOM 0 HD11 LEU A 74 -4.351 -0.335 3.924 1.00 62.21 H new ATOM 0 HD12 LEU A 74 -4.447 1.211 3.048 1.00 62.21 H new ATOM 0 HD13 LEU A 74 -3.579 1.120 4.599 1.00 62.21 H new ATOM 0 HD21 LEU A 74 -5.487 -0.631 6.055 1.00 3.42 H new ATOM 0 HD22 LEU A 74 -4.813 0.877 6.718 1.00 3.42 H new ATOM 0 HD23 LEU A 74 -6.574 0.620 6.701 1.00 3.42 H new ATOM 1030 N SER A 75 -7.872 4.911 4.970 1.00 12.32 N ATOM 1031 CA SER A 75 -8.402 6.117 5.599 1.00 51.24 C ATOM 1032 C SER A 75 -7.626 6.479 6.876 1.00 54.40 C ATOM 1033 O SER A 75 -6.578 5.908 7.176 1.00 43.02 O ATOM 1034 CB SER A 75 -9.884 5.887 5.886 1.00 35.21 C ATOM 1035 OG SER A 75 -10.593 7.086 6.134 1.00 14.32 O ATOM 0 H SER A 75 -8.439 4.085 5.161 1.00 12.32 H new ATOM 0 HA SER A 75 -8.284 6.966 4.926 1.00 51.24 H new ATOM 0 HB2 SER A 75 -10.337 5.373 5.038 1.00 35.21 H new ATOM 0 HB3 SER A 75 -9.983 5.228 6.749 1.00 35.21 H new ATOM 0 HG SER A 75 -11.535 6.879 6.309 1.00 14.32 H new ATOM 1040 N THR A 76 -8.133 7.458 7.631 1.00 15.04 N ATOM 1041 CA THR A 76 -7.403 8.108 8.706 1.00 33.13 C ATOM 1042 C THR A 76 -7.220 7.188 9.919 1.00 12.11 C ATOM 1043 O THR A 76 -6.078 6.878 10.272 1.00 60.12 O ATOM 1044 CB THR A 76 -7.982 9.505 9.010 1.00 63.53 C ATOM 1045 OG1 THR A 76 -9.221 9.456 9.685 1.00 2.43 O ATOM 1046 CG2 THR A 76 -8.184 10.345 7.741 1.00 34.13 C ATOM 0 H THR A 76 -9.078 7.822 7.505 1.00 15.04 H new ATOM 0 HA THR A 76 -6.383 8.299 8.372 1.00 33.13 H new ATOM 0 HB THR A 76 -7.234 9.969 9.654 1.00 63.53 H new ATOM 0 HG1 THR A 76 -9.539 10.368 9.853 1.00 2.43 H new ATOM 0 HG21 THR A 76 -8.593 11.319 8.010 1.00 34.13 H new ATOM 0 HG22 THR A 76 -7.226 10.481 7.238 1.00 34.13 H new ATOM 0 HG23 THR A 76 -8.876 9.833 7.072 1.00 34.13 H new ATOM 1054 N ILE A 77 -8.300 6.729 10.562 1.00 51.00 N ATOM 1055 CA ILE A 77 -8.228 5.796 11.694 1.00 24.12 C ATOM 1056 C ILE A 77 -7.514 4.525 11.236 1.00 1.04 C ATOM 1057 O ILE A 77 -6.658 3.994 11.933 1.00 23.55 O ATOM 1058 CB ILE A 77 -9.640 5.474 12.240 1.00 12.34 C ATOM 1059 CG1 ILE A 77 -10.331 6.767 12.719 1.00 32.22 C ATOM 1060 CG2 ILE A 77 -9.575 4.428 13.373 1.00 71.31 C ATOM 1061 CD1 ILE A 77 -11.749 6.542 13.246 1.00 44.12 C ATOM 0 H ILE A 77 -9.252 6.995 10.311 1.00 51.00 H new ATOM 0 HA ILE A 77 -7.667 6.255 12.508 1.00 24.12 H new ATOM 0 HB ILE A 77 -10.231 5.043 11.432 1.00 12.34 H new ATOM 0 HG12 ILE A 77 -9.728 7.222 13.505 1.00 32.22 H new ATOM 0 HG13 ILE A 77 -10.367 7.477 11.893 1.00 32.22 H new ATOM 0 HG21 ILE A 77 -10.582 4.222 13.736 1.00 71.31 H new ATOM 0 HG22 ILE A 77 -9.131 3.508 12.994 1.00 71.31 H new ATOM 0 HG23 ILE A 77 -8.966 4.814 14.190 1.00 71.31 H new ATOM 0 HD11 ILE A 77 -12.174 7.494 13.565 1.00 44.12 H new ATOM 0 HD12 ILE A 77 -12.367 6.115 12.456 1.00 44.12 H new ATOM 0 HD13 ILE A 77 -11.718 5.856 14.093 1.00 44.12 H new ATOM 1072 N GLU A 78 -7.854 4.073 10.033 1.00 44.00 N ATOM 1073 CA GLU A 78 -7.332 2.867 9.419 1.00 3.12 C ATOM 1074 C GLU A 78 -5.815 2.954 9.221 1.00 31.34 C ATOM 1075 O GLU A 78 -5.149 1.936 9.145 1.00 63.40 O ATOM 1076 CB GLU A 78 -8.032 2.693 8.070 1.00 42.34 C ATOM 1077 CG GLU A 78 -9.544 2.458 8.154 1.00 4.12 C ATOM 1078 CD GLU A 78 -10.282 2.764 6.839 1.00 15.12 C ATOM 1079 OE1 GLU A 78 -9.627 2.796 5.771 1.00 13.03 O ATOM 1080 OE2 GLU A 78 -11.477 3.141 6.892 1.00 75.41 O ATOM 0 H GLU A 78 -8.527 4.559 9.440 1.00 44.00 H new ATOM 0 HA GLU A 78 -7.522 2.012 10.068 1.00 3.12 H new ATOM 0 HB2 GLU A 78 -7.850 3.581 7.465 1.00 42.34 H new ATOM 0 HB3 GLU A 78 -7.577 1.852 7.546 1.00 42.34 H new ATOM 0 HG2 GLU A 78 -9.728 1.421 8.433 1.00 4.12 H new ATOM 0 HG3 GLU A 78 -9.958 3.080 8.948 1.00 4.12 H new ATOM 1085 N ALA A 79 -5.239 4.149 9.156 1.00 52.04 N ATOM 1086 CA ALA A 79 -3.794 4.345 9.160 1.00 1.14 C ATOM 1087 C ALA A 79 -3.281 4.384 10.610 1.00 3.45 C ATOM 1088 O ALA A 79 -2.407 3.610 11.004 1.00 14.04 O ATOM 1089 CB ALA A 79 -3.476 5.610 8.361 1.00 71.31 C ATOM 0 H ALA A 79 -5.768 5.019 9.098 1.00 52.04 H new ATOM 0 HA ALA A 79 -3.275 3.516 8.678 1.00 1.14 H new ATOM 0 HB1 ALA A 79 -2.398 5.774 8.353 1.00 71.31 H new ATOM 0 HB2 ALA A 79 -3.833 5.494 7.338 1.00 71.31 H new ATOM 0 HB3 ALA A 79 -3.969 6.465 8.822 1.00 71.31 H new ATOM 1095 N ALA A 80 -3.865 5.263 11.424 1.00 14.42 N ATOM 1096 CA ALA A 80 -3.550 5.525 12.827 1.00 12.44 C ATOM 1097 C ALA A 80 -3.936 4.406 13.816 1.00 42.40 C ATOM 1098 O ALA A 80 -3.956 4.638 15.031 1.00 0.01 O ATOM 1099 CB ALA A 80 -4.231 6.839 13.218 1.00 64.42 C ATOM 0 H ALA A 80 -4.628 5.855 11.094 1.00 14.42 H new ATOM 0 HA ALA A 80 -2.464 5.580 12.902 1.00 12.44 H new ATOM 0 HB1 ALA A 80 -4.015 7.064 14.262 1.00 64.42 H new ATOM 0 HB2 ALA A 80 -3.855 7.645 12.588 1.00 64.42 H new ATOM 0 HB3 ALA A 80 -5.308 6.745 13.082 1.00 64.42 H new ATOM 1105 N GLN A 81 -4.219 3.198 13.335 1.00 51.40 N ATOM 1106 CA GLN A 81 -4.245 2.001 14.154 1.00 40.31 C ATOM 1107 C GLN A 81 -3.474 0.855 13.514 1.00 51.12 C ATOM 1108 O GLN A 81 -2.850 0.066 14.224 1.00 73.14 O ATOM 1109 CB GLN A 81 -5.699 1.633 14.437 1.00 41.43 C ATOM 1110 CG GLN A 81 -6.498 0.994 13.293 1.00 44.20 C ATOM 1111 CD GLN A 81 -6.757 -0.481 13.574 1.00 0.25 C ATOM 1112 OE1 GLN A 81 -5.851 -1.242 13.877 1.00 53.24 O ATOM 1113 NE2 GLN A 81 -8.003 -0.913 13.519 1.00 53.12 N ATOM 0 H GLN A 81 -4.438 3.027 12.354 1.00 51.40 H new ATOM 0 HA GLN A 81 -3.739 2.200 15.099 1.00 40.31 H new ATOM 0 HB2 GLN A 81 -5.715 0.947 15.284 1.00 41.43 H new ATOM 0 HB3 GLN A 81 -6.221 2.537 14.749 1.00 41.43 H new ATOM 0 HG2 GLN A 81 -7.446 1.517 13.169 1.00 44.20 H new ATOM 0 HG3 GLN A 81 -5.950 1.100 12.357 1.00 44.20 H new ATOM 0 HE21 GLN A 81 -8.754 -0.272 13.265 1.00 53.12 H new ATOM 0 HE22 GLN A 81 -8.214 -1.888 13.730 1.00 53.12 H new ATOM 1120 N LEU A 82 -3.486 0.768 12.179 1.00 33.24 N ATOM 1121 CA LEU A 82 -2.910 -0.378 11.489 1.00 11.22 C ATOM 1122 C LEU A 82 -1.427 -0.435 11.774 1.00 42.34 C ATOM 1123 O LEU A 82 -0.930 -1.537 11.989 1.00 14.25 O ATOM 1124 CB LEU A 82 -3.146 -0.340 9.974 1.00 41.44 C ATOM 1125 CG LEU A 82 -4.376 -1.125 9.470 1.00 21.54 C ATOM 1126 CD1 LEU A 82 -4.094 -2.629 9.440 1.00 60.53 C ATOM 1127 CD2 LEU A 82 -5.680 -0.948 10.254 1.00 75.14 C ATOM 0 H LEU A 82 -3.887 1.476 11.563 1.00 33.24 H new ATOM 0 HA LEU A 82 -3.409 -1.271 11.865 1.00 11.22 H new ATOM 0 HB2 LEU A 82 -3.251 0.701 9.667 1.00 41.44 H new ATOM 0 HB3 LEU A 82 -2.259 -0.731 9.476 1.00 41.44 H new ATOM 0 HG LEU A 82 -4.533 -0.692 8.482 1.00 21.54 H new ATOM 0 HD11 LEU A 82 -4.977 -3.158 9.081 1.00 60.53 H new ATOM 0 HD12 LEU A 82 -3.255 -2.829 8.773 1.00 60.53 H new ATOM 0 HD13 LEU A 82 -3.848 -2.973 10.445 1.00 60.53 H new ATOM 0 HD21 LEU A 82 -6.464 -1.552 9.797 1.00 75.14 H new ATOM 0 HD22 LEU A 82 -5.531 -1.267 11.285 1.00 75.14 H new ATOM 0 HD23 LEU A 82 -5.975 0.101 10.238 1.00 75.14 H new ATOM 1138 N LEU A 83 -0.744 0.712 11.869 1.00 2.45 N ATOM 1139 CA LEU A 83 0.680 0.770 12.160 1.00 32.43 C ATOM 1140 C LEU A 83 1.003 -0.050 13.411 1.00 21.11 C ATOM 1141 O LEU A 83 2.027 -0.725 13.455 1.00 61.54 O ATOM 1142 CB LEU A 83 1.084 2.237 12.363 1.00 4.12 C ATOM 1143 CG LEU A 83 2.553 2.538 12.038 1.00 15.34 C ATOM 1144 CD1 LEU A 83 2.708 2.856 10.550 1.00 71.54 C ATOM 1145 CD2 LEU A 83 2.994 3.762 12.841 1.00 4.32 C ATOM 0 H LEU A 83 -1.174 1.629 11.744 1.00 2.45 H new ATOM 0 HA LEU A 83 1.241 0.348 11.326 1.00 32.43 H new ATOM 0 HB2 LEU A 83 0.450 2.866 11.739 1.00 4.12 H new ATOM 0 HB3 LEU A 83 0.889 2.516 13.399 1.00 4.12 H new ATOM 0 HG LEU A 83 3.160 1.669 12.290 1.00 15.34 H new ATOM 0 HD11 LEU A 83 3.754 3.068 10.330 1.00 71.54 H new ATOM 0 HD12 LEU A 83 2.379 2.001 9.959 1.00 71.54 H new ATOM 0 HD13 LEU A 83 2.101 3.726 10.299 1.00 71.54 H new ATOM 0 HD21 LEU A 83 4.037 3.986 12.619 1.00 4.32 H new ATOM 0 HD22 LEU A 83 2.374 4.617 12.572 1.00 4.32 H new ATOM 0 HD23 LEU A 83 2.886 3.557 13.906 1.00 4.32 H new ATOM 1156 N GLN A 84 0.120 -0.019 14.414 1.00 35.43 N ATOM 1157 CA GLN A 84 0.318 -0.661 15.704 1.00 74.23 C ATOM 1158 C GLN A 84 0.104 -2.169 15.614 1.00 44.42 C ATOM 1159 O GLN A 84 0.671 -2.917 16.411 1.00 74.40 O ATOM 1160 CB GLN A 84 -0.639 -0.042 16.741 1.00 22.24 C ATOM 1161 CG GLN A 84 -0.449 1.475 16.898 1.00 20.41 C ATOM 1162 CD GLN A 84 0.992 1.847 17.248 1.00 42.32 C ATOM 1163 OE1 GLN A 84 1.637 1.194 18.067 1.00 40.01 O ATOM 1164 NE2 GLN A 84 1.549 2.866 16.613 1.00 23.21 N ATOM 0 H GLN A 84 -0.774 0.468 14.343 1.00 35.43 H new ATOM 0 HA GLN A 84 1.349 -0.494 16.017 1.00 74.23 H new ATOM 0 HB2 GLN A 84 -1.668 -0.246 16.445 1.00 22.24 H new ATOM 0 HB3 GLN A 84 -0.483 -0.525 17.706 1.00 22.24 H new ATOM 0 HG2 GLN A 84 -0.735 1.972 15.971 1.00 20.41 H new ATOM 0 HG3 GLN A 84 -1.116 1.844 17.677 1.00 20.41 H new ATOM 0 HE21 GLN A 84 1.007 3.402 15.935 1.00 23.21 H new ATOM 0 HE22 GLN A 84 2.520 3.115 16.801 1.00 23.21 H new ATOM 1171 N ILE A 85 -0.691 -2.646 14.662 1.00 53.20 N ATOM 1172 CA ILE A 85 -0.779 -4.065 14.338 1.00 21.41 C ATOM 1173 C ILE A 85 0.499 -4.442 13.573 1.00 14.32 C ATOM 1174 O ILE A 85 1.139 -5.451 13.857 1.00 20.52 O ATOM 1175 CB ILE A 85 -2.067 -4.355 13.539 1.00 44.20 C ATOM 1176 CG1 ILE A 85 -3.318 -3.877 14.311 1.00 72.34 C ATOM 1177 CG2 ILE A 85 -2.155 -5.870 13.278 1.00 61.11 C ATOM 1178 CD1 ILE A 85 -4.595 -3.952 13.479 1.00 21.22 C ATOM 0 H ILE A 85 -1.296 -2.056 14.091 1.00 53.20 H new ATOM 0 HA ILE A 85 -0.844 -4.677 15.238 1.00 21.41 H new ATOM 0 HB ILE A 85 -2.032 -3.813 12.594 1.00 44.20 H new ATOM 0 HG12 ILE A 85 -3.439 -4.484 15.208 1.00 72.34 H new ATOM 0 HG13 ILE A 85 -3.165 -2.849 14.640 1.00 72.34 H new ATOM 0 HG21 ILE A 85 -3.061 -6.090 12.714 1.00 61.11 H new ATOM 0 HG22 ILE A 85 -1.284 -6.192 12.706 1.00 61.11 H new ATOM 0 HG23 ILE A 85 -2.182 -6.402 14.229 1.00 61.11 H new ATOM 0 HD11 ILE A 85 -5.439 -3.604 14.075 1.00 21.22 H new ATOM 0 HD12 ILE A 85 -4.491 -3.323 12.595 1.00 21.22 H new ATOM 0 HD13 ILE A 85 -4.769 -4.983 13.172 1.00 21.22 H new ATOM 1189 N LEU A 86 0.888 -3.614 12.602 1.00 43.23 N ATOM 1190 CA LEU A 86 1.911 -3.924 11.617 1.00 20.33 C ATOM 1191 C LEU A 86 3.275 -4.142 12.253 1.00 23.55 C ATOM 1192 O LEU A 86 4.022 -4.988 11.763 1.00 23.24 O ATOM 1193 CB LEU A 86 2.008 -2.804 10.571 1.00 41.23 C ATOM 1194 CG LEU A 86 0.812 -2.604 9.614 1.00 54.10 C ATOM 1195 CD1 LEU A 86 1.300 -2.504 8.173 1.00 3.31 C ATOM 1196 CD2 LEU A 86 -0.283 -3.676 9.645 1.00 41.21 C ATOM 0 H LEU A 86 0.485 -2.685 12.481 1.00 43.23 H new ATOM 0 HA LEU A 86 1.613 -4.855 11.134 1.00 20.33 H new ATOM 0 HB2 LEU A 86 2.174 -1.866 11.100 1.00 41.23 H new ATOM 0 HB3 LEU A 86 2.895 -2.989 9.964 1.00 41.23 H new ATOM 0 HG LEU A 86 0.355 -1.685 9.982 1.00 54.10 H new ATOM 0 HD11 LEU A 86 0.447 -2.363 7.509 1.00 3.31 H new ATOM 0 HD12 LEU A 86 1.979 -1.657 8.077 1.00 3.31 H new ATOM 0 HD13 LEU A 86 1.824 -3.421 7.902 1.00 3.31 H new ATOM 0 HD21 LEU A 86 -1.064 -3.419 8.929 1.00 41.21 H new ATOM 0 HD22 LEU A 86 0.147 -4.643 9.382 1.00 41.21 H new ATOM 0 HD23 LEU A 86 -0.712 -3.729 10.646 1.00 41.21 H new ATOM 1207 N GLN A 87 3.600 -3.425 13.334 1.00 2.13 N ATOM 1208 CA GLN A 87 4.880 -3.586 14.025 1.00 73.30 C ATOM 1209 C GLN A 87 5.007 -4.955 14.717 1.00 12.11 C ATOM 1210 O GLN A 87 6.073 -5.250 15.260 1.00 62.52 O ATOM 1211 CB GLN A 87 5.139 -2.458 15.045 1.00 35.32 C ATOM 1212 CG GLN A 87 4.817 -1.037 14.545 1.00 20.22 C ATOM 1213 CD GLN A 87 5.816 0.049 14.942 1.00 0.41 C ATOM 1214 OE1 GLN A 87 6.167 0.223 16.110 1.00 22.54 O ATOM 1215 NE2 GLN A 87 6.266 0.841 13.981 1.00 43.42 N ATOM 0 H GLN A 87 2.988 -2.723 13.750 1.00 2.13 H new ATOM 0 HA GLN A 87 5.641 -3.527 13.247 1.00 73.30 H new ATOM 0 HB2 GLN A 87 4.547 -2.655 15.939 1.00 35.32 H new ATOM 0 HB3 GLN A 87 6.187 -2.493 15.343 1.00 35.32 H new ATOM 0 HG2 GLN A 87 4.749 -1.062 13.457 1.00 20.22 H new ATOM 0 HG3 GLN A 87 3.833 -0.754 14.920 1.00 20.22 H new ATOM 0 HE21 GLN A 87 5.971 0.691 13.016 1.00 43.42 H new ATOM 0 HE22 GLN A 87 6.908 1.601 14.205 1.00 43.42 H new ATOM 1222 N ALA A 88 3.965 -5.791 14.709 1.00 74.50 N ATOM 1223 CA ALA A 88 3.908 -7.061 15.422 1.00 1.15 C ATOM 1224 C ALA A 88 4.005 -8.280 14.499 1.00 75.12 C ATOM 1225 O ALA A 88 3.962 -9.401 15.005 1.00 34.53 O ATOM 1226 CB ALA A 88 2.611 -7.125 16.235 1.00 40.20 C ATOM 0 H ALA A 88 3.112 -5.592 14.187 1.00 74.50 H new ATOM 0 HA ALA A 88 4.778 -7.101 16.078 1.00 1.15 H new ATOM 0 HB1 ALA A 88 2.564 -8.073 16.770 1.00 40.20 H new ATOM 0 HB2 ALA A 88 2.589 -6.303 16.950 1.00 40.20 H new ATOM 0 HB3 ALA A 88 1.756 -7.044 15.563 1.00 40.20 H new ATOM 1232 N LEU A 89 4.114 -8.108 13.175 1.00 44.30 N ATOM 1233 CA LEU A 89 4.099 -9.214 12.211 1.00 64.11 C ATOM 1234 C LEU A 89 5.229 -9.077 11.192 1.00 61.40 C ATOM 1235 O LEU A 89 5.861 -8.023 11.091 1.00 60.43 O ATOM 1236 CB LEU A 89 2.709 -9.327 11.558 1.00 1.44 C ATOM 1237 CG LEU A 89 2.353 -8.157 10.615 1.00 13.41 C ATOM 1238 CD1 LEU A 89 2.574 -8.515 9.147 1.00 3.11 C ATOM 1239 CD2 LEU A 89 0.903 -7.716 10.838 1.00 21.21 C ATOM 0 H LEU A 89 4.216 -7.191 12.741 1.00 44.30 H new ATOM 0 HA LEU A 89 4.285 -10.150 12.738 1.00 64.11 H new ATOM 0 HB2 LEU A 89 2.659 -10.259 10.996 1.00 1.44 H new ATOM 0 HB3 LEU A 89 1.955 -9.388 12.343 1.00 1.44 H new ATOM 0 HG LEU A 89 3.023 -7.331 10.855 1.00 13.41 H new ATOM 0 HD11 LEU A 89 2.311 -7.662 8.521 1.00 3.11 H new ATOM 0 HD12 LEU A 89 3.621 -8.772 8.989 1.00 3.11 H new ATOM 0 HD13 LEU A 89 1.948 -9.367 8.882 1.00 3.11 H new ATOM 0 HD21 LEU A 89 0.666 -6.891 10.166 1.00 21.21 H new ATOM 0 HD22 LEU A 89 0.233 -8.552 10.636 1.00 21.21 H new ATOM 0 HD23 LEU A 89 0.776 -7.391 11.871 1.00 21.21 H new ATOM 1250 N HIS A 90 5.486 -10.151 10.446 1.00 61.31 N ATOM 1251 CA HIS A 90 6.544 -10.278 9.448 1.00 71.14 C ATOM 1252 C HIS A 90 5.913 -10.662 8.101 1.00 23.22 C ATOM 1253 O HIS A 90 4.761 -11.107 8.084 1.00 44.32 O ATOM 1254 CB HIS A 90 7.572 -11.310 9.949 1.00 23.13 C ATOM 1255 CG HIS A 90 7.075 -12.729 10.067 1.00 3.32 C ATOM 1256 ND1 HIS A 90 6.736 -13.575 9.029 1.00 3.15 N ATOM 1257 CD2 HIS A 90 6.986 -13.444 11.232 1.00 51.03 C ATOM 1258 CE1 HIS A 90 6.429 -14.767 9.566 1.00 0.35 C ATOM 1259 NE2 HIS A 90 6.586 -14.739 10.899 1.00 44.03 N ATOM 0 H HIS A 90 4.930 -11.002 10.527 1.00 61.31 H new ATOM 0 HA HIS A 90 7.073 -9.337 9.299 1.00 71.14 H new ATOM 0 HB2 HIS A 90 8.427 -11.300 9.273 1.00 23.13 H new ATOM 0 HB3 HIS A 90 7.934 -10.989 10.926 1.00 23.13 H new ATOM 0 HD1 HIS A 90 6.722 -13.338 8.037 1.00 3.15 H new ATOM 0 HD2 HIS A 90 7.188 -13.074 12.226 1.00 51.03 H new ATOM 0 HE1 HIS A 90 6.101 -15.629 9.003 1.00 0.35 H new ATOM 1266 N PRO A 91 6.618 -10.515 6.965 1.00 4.32 N ATOM 1267 CA PRO A 91 6.034 -10.784 5.654 1.00 74.44 C ATOM 1268 C PRO A 91 5.905 -12.289 5.357 1.00 14.04 C ATOM 1269 O PRO A 91 6.493 -13.107 6.073 1.00 31.53 O ATOM 1270 CB PRO A 91 6.970 -10.079 4.665 1.00 12.31 C ATOM 1271 CG PRO A 91 8.327 -10.186 5.350 1.00 0.03 C ATOM 1272 CD PRO A 91 7.960 -9.967 6.815 1.00 72.24 C ATOM 0 HA PRO A 91 5.010 -10.415 5.588 1.00 74.44 H new ATOM 0 HB2 PRO A 91 6.970 -10.566 3.690 1.00 12.31 H new ATOM 0 HB3 PRO A 91 6.679 -9.041 4.503 1.00 12.31 H new ATOM 0 HG2 PRO A 91 8.791 -11.159 5.187 1.00 0.03 H new ATOM 0 HG3 PRO A 91 9.028 -9.434 4.988 1.00 0.03 H new ATOM 0 HD2 PRO A 91 8.666 -10.470 7.476 1.00 72.24 H new ATOM 0 HD3 PRO A 91 7.983 -8.908 7.071 1.00 72.24 H new ATOM 1277 N PRO A 92 5.195 -12.680 4.278 1.00 53.40 N ATOM 1278 CA PRO A 92 5.296 -14.009 3.681 1.00 52.43 C ATOM 1279 C PRO A 92 6.719 -14.242 3.191 1.00 0.01 C ATOM 1280 O PRO A 92 7.347 -15.249 3.511 1.00 54.13 O ATOM 1281 CB PRO A 92 4.257 -14.067 2.553 1.00 42.40 C ATOM 1282 CG PRO A 92 4.061 -12.607 2.174 1.00 55.43 C ATOM 1283 CD PRO A 92 4.278 -11.870 3.496 1.00 43.43 C ATOM 0 HA PRO A 92 5.088 -14.804 4.397 1.00 52.43 H new ATOM 0 HB2 PRO A 92 4.614 -14.656 1.708 1.00 42.40 H new ATOM 0 HB3 PRO A 92 3.326 -14.523 2.889 1.00 42.40 H new ATOM 0 HG2 PRO A 92 4.775 -12.289 1.414 1.00 55.43 H new ATOM 0 HG3 PRO A 92 3.065 -12.426 1.771 1.00 55.43 H new ATOM 0 HD2 PRO A 92 4.691 -10.876 3.322 1.00 43.43 H new ATOM 0 HD3 PRO A 92 3.334 -11.735 4.024 1.00 43.43 H new ATOM 1288 N LEU A 93 7.247 -13.280 2.443 1.00 33.55 N ATOM 1289 CA LEU A 93 8.461 -13.404 1.676 1.00 11.23 C ATOM 1290 C LEU A 93 9.485 -12.419 2.184 1.00 62.34 C ATOM 1291 O LEU A 93 9.165 -11.253 2.427 1.00 1.03 O ATOM 1292 CB LEU A 93 8.067 -13.256 0.216 1.00 42.13 C ATOM 1293 CG LEU A 93 8.012 -11.867 -0.382 1.00 31.13 C ATOM 1294 CD1 LEU A 93 9.395 -11.537 -0.949 1.00 62.10 C ATOM 1295 CD2 LEU A 93 6.949 -11.904 -1.461 1.00 40.24 C ATOM 0 H LEU A 93 6.817 -12.359 2.357 1.00 33.55 H new ATOM 0 HA LEU A 93 8.951 -14.372 1.783 1.00 11.23 H new ATOM 0 HB2 LEU A 93 8.767 -13.844 -0.377 1.00 42.13 H new ATOM 0 HB3 LEU A 93 7.084 -13.709 0.091 1.00 42.13 H new ATOM 0 HG LEU A 93 7.759 -11.097 0.347 1.00 31.13 H new ATOM 0 HD11 LEU A 93 9.380 -10.539 -1.386 1.00 62.10 H new ATOM 0 HD12 LEU A 93 10.134 -11.572 -0.149 1.00 62.10 H new ATOM 0 HD13 LEU A 93 9.657 -12.265 -1.716 1.00 62.10 H new ATOM 0 HD21 LEU A 93 6.869 -10.922 -1.926 1.00 40.24 H new ATOM 0 HD22 LEU A 93 7.222 -12.642 -2.215 1.00 40.24 H new ATOM 0 HD23 LEU A 93 5.991 -12.175 -1.018 1.00 40.24 H new ATOM 1306 N THR A 94 10.723 -12.886 2.304 1.00 23.54 N ATOM 1307 CA THR A 94 11.800 -12.082 2.827 1.00 40.10 C ATOM 1308 C THR A 94 13.015 -12.335 1.945 1.00 21.15 C ATOM 1309 O THR A 94 13.782 -13.273 2.157 1.00 11.43 O ATOM 1310 CB THR A 94 12.041 -12.396 4.316 1.00 53.04 C ATOM 1311 OG1 THR A 94 10.848 -12.745 5.009 1.00 13.24 O ATOM 1312 CG2 THR A 94 12.676 -11.195 5.013 1.00 15.21 C ATOM 0 H THR A 94 10.999 -13.832 2.040 1.00 23.54 H new ATOM 0 HA THR A 94 11.562 -11.019 2.799 1.00 40.10 H new ATOM 0 HB THR A 94 12.709 -13.257 4.343 1.00 53.04 H new ATOM 0 HG1 THR A 94 11.058 -12.936 5.947 1.00 13.24 H new ATOM 0 HG21 THR A 94 12.841 -11.430 6.065 1.00 15.21 H new ATOM 0 HG22 THR A 94 13.630 -10.962 4.539 1.00 15.21 H new ATOM 0 HG23 THR A 94 12.011 -10.335 4.933 1.00 15.21 H new ATOM 1320 N ILE A 95 13.159 -11.524 0.905 1.00 42.03 N ATOM 1321 CA ILE A 95 14.309 -11.601 0.017 1.00 62.20 C ATOM 1322 C ILE A 95 15.489 -11.023 0.793 1.00 44.43 C ATOM 1323 O ILE A 95 15.313 -9.998 1.450 1.00 60.54 O ATOM 1324 CB ILE A 95 14.014 -10.875 -1.321 1.00 34.31 C ATOM 1325 CG1 ILE A 95 15.104 -11.116 -2.389 1.00 43.03 C ATOM 1326 CG2 ILE A 95 13.835 -9.358 -1.163 1.00 54.43 C ATOM 1327 CD1 ILE A 95 15.147 -12.565 -2.883 1.00 33.21 C ATOM 0 H ILE A 95 12.486 -10.799 0.655 1.00 42.03 H new ATOM 0 HA ILE A 95 14.545 -12.625 -0.274 1.00 62.20 H new ATOM 0 HB ILE A 95 13.073 -11.314 -1.652 1.00 34.31 H new ATOM 0 HG12 ILE A 95 14.927 -10.454 -3.237 1.00 43.03 H new ATOM 0 HG13 ILE A 95 16.076 -10.850 -1.974 1.00 43.03 H new ATOM 0 HG21 ILE A 95 13.631 -8.912 -2.137 1.00 54.43 H new ATOM 0 HG22 ILE A 95 13.001 -9.158 -0.491 1.00 54.43 H new ATOM 0 HG23 ILE A 95 14.746 -8.925 -0.749 1.00 54.43 H new ATOM 0 HD11 ILE A 95 15.932 -12.671 -3.631 1.00 33.21 H new ATOM 0 HD12 ILE A 95 15.353 -13.230 -2.044 1.00 33.21 H new ATOM 0 HD13 ILE A 95 14.186 -12.827 -3.326 1.00 33.21 H new ATOM 1338 N ASP A 96 16.670 -11.643 0.708 1.00 44.44 N ATOM 1339 CA ASP A 96 17.924 -11.106 1.268 1.00 62.23 C ATOM 1340 C ASP A 96 17.811 -10.729 2.761 1.00 21.13 C ATOM 1341 O ASP A 96 18.478 -9.825 3.257 1.00 73.01 O ATOM 1342 CB ASP A 96 18.385 -9.946 0.370 1.00 63.30 C ATOM 1343 CG ASP A 96 19.786 -9.421 0.678 1.00 60.21 C ATOM 1344 OD1 ASP A 96 20.645 -10.192 1.150 1.00 24.45 O ATOM 1345 OD2 ASP A 96 20.024 -8.218 0.407 1.00 42.14 O ATOM 0 H ASP A 96 16.788 -12.543 0.244 1.00 44.44 H new ATOM 0 HA ASP A 96 18.688 -11.883 1.264 1.00 62.23 H new ATOM 0 HB2 ASP A 96 18.355 -10.274 -0.669 1.00 63.30 H new ATOM 0 HB3 ASP A 96 17.674 -9.125 0.466 1.00 63.30 H new ATOM 1349 N GLY A 97 16.901 -11.388 3.493 1.00 33.51 N ATOM 1350 CA GLY A 97 16.622 -11.088 4.893 1.00 55.23 C ATOM 1351 C GLY A 97 15.994 -9.705 5.122 1.00 51.22 C ATOM 1352 O GLY A 97 15.959 -9.242 6.265 1.00 44.00 O ATOM 0 H GLY A 97 16.336 -12.151 3.120 1.00 33.51 H new ATOM 0 HA2 GLY A 97 15.952 -11.850 5.291 1.00 55.23 H new ATOM 0 HA3 GLY A 97 17.551 -11.152 5.460 1.00 55.23 H new ATOM 1356 N LYS A 98 15.506 -9.022 4.079 1.00 31.42 N ATOM 1357 CA LYS A 98 14.977 -7.662 4.154 1.00 22.31 C ATOM 1358 C LYS A 98 13.535 -7.734 4.586 1.00 51.34 C ATOM 1359 O LYS A 98 12.626 -7.877 3.769 1.00 64.54 O ATOM 1360 CB LYS A 98 15.155 -6.907 2.830 1.00 72.32 C ATOM 1361 CG LYS A 98 16.644 -6.735 2.525 1.00 64.23 C ATOM 1362 CD LYS A 98 17.416 -5.743 3.405 1.00 1.24 C ATOM 1363 CE LYS A 98 17.531 -4.343 2.808 1.00 54.13 C ATOM 1364 NZ LYS A 98 18.764 -3.668 3.261 1.00 74.42 N ATOM 0 H LYS A 98 15.469 -9.413 3.138 1.00 31.42 H new ATOM 0 HA LYS A 98 15.540 -7.090 4.892 1.00 22.31 H new ATOM 0 HB2 LYS A 98 14.670 -7.454 2.021 1.00 72.32 H new ATOM 0 HB3 LYS A 98 14.672 -5.932 2.890 1.00 72.32 H new ATOM 0 HG2 LYS A 98 17.124 -7.710 2.609 1.00 64.23 H new ATOM 0 HG3 LYS A 98 16.745 -6.419 1.487 1.00 64.23 H new ATOM 0 HD2 LYS A 98 16.924 -5.674 4.375 1.00 1.24 H new ATOM 0 HD3 LYS A 98 18.418 -6.134 3.583 1.00 1.24 H new ATOM 0 HE2 LYS A 98 17.528 -4.408 1.720 1.00 54.13 H new ATOM 0 HE3 LYS A 98 16.662 -3.750 3.095 1.00 54.13 H new ATOM 0 HZ1 LYS A 98 18.815 -2.719 2.839 1.00 74.42 H new ATOM 0 HZ2 LYS A 98 18.754 -3.586 4.298 1.00 74.42 H new ATOM 0 HZ3 LYS A 98 19.592 -4.223 2.965 1.00 74.42 H new ATOM 1374 N THR A 99 13.346 -7.692 5.890 1.00 54.04 N ATOM 1375 CA THR A 99 12.033 -7.606 6.499 1.00 40.04 C ATOM 1376 C THR A 99 11.425 -6.250 6.131 1.00 24.11 C ATOM 1377 O THR A 99 12.128 -5.242 6.046 1.00 34.11 O ATOM 1378 CB THR A 99 12.173 -7.833 8.011 1.00 20.34 C ATOM 1379 OG1 THR A 99 13.239 -7.058 8.524 1.00 75.14 O ATOM 1380 CG2 THR A 99 12.413 -9.315 8.297 1.00 52.04 C ATOM 0 H THR A 99 14.110 -7.717 6.565 1.00 54.04 H new ATOM 0 HA THR A 99 11.354 -8.375 6.131 1.00 40.04 H new ATOM 0 HB THR A 99 11.250 -7.524 8.501 1.00 20.34 H new ATOM 0 HG1 THR A 99 13.318 -7.209 9.489 1.00 75.14 H new ATOM 0 HG21 THR A 99 12.511 -9.467 9.372 1.00 52.04 H new ATOM 0 HG22 THR A 99 11.572 -9.899 7.923 1.00 52.04 H new ATOM 0 HG23 THR A 99 13.328 -9.638 7.800 1.00 52.04 H new ATOM 1388 N ILE A 100 10.120 -6.219 5.872 1.00 43.14 N ATOM 1389 CA ILE A 100 9.423 -4.990 5.506 1.00 34.43 C ATOM 1390 C ILE A 100 9.317 -4.159 6.777 1.00 1.24 C ATOM 1391 O ILE A 100 8.692 -4.592 7.749 1.00 3.15 O ATOM 1392 CB ILE A 100 8.038 -5.305 4.913 1.00 22.32 C ATOM 1393 CG1 ILE A 100 8.086 -6.403 3.826 1.00 60.41 C ATOM 1394 CG2 ILE A 100 7.374 -4.034 4.372 1.00 52.23 C ATOM 1395 CD1 ILE A 100 9.012 -6.069 2.651 1.00 61.32 C ATOM 0 H ILE A 100 9.518 -7.042 5.910 1.00 43.14 H new ATOM 0 HA ILE A 100 9.964 -4.440 4.736 1.00 34.43 H new ATOM 0 HB ILE A 100 7.432 -5.699 5.729 1.00 22.32 H new ATOM 0 HG12 ILE A 100 8.414 -7.338 4.281 1.00 60.41 H new ATOM 0 HG13 ILE A 100 7.078 -6.570 3.446 1.00 60.41 H new ATOM 0 HG21 ILE A 100 6.397 -4.282 3.958 1.00 52.23 H new ATOM 0 HG22 ILE A 100 7.253 -3.314 5.181 1.00 52.23 H new ATOM 0 HG23 ILE A 100 7.999 -3.601 3.591 1.00 52.23 H new ATOM 0 HD11 ILE A 100 8.993 -6.886 1.929 1.00 61.32 H new ATOM 0 HD12 ILE A 100 8.673 -5.152 2.170 1.00 61.32 H new ATOM 0 HD13 ILE A 100 10.029 -5.932 3.017 1.00 61.32 H new ATOM 1406 N ASN A 101 9.942 -2.989 6.775 1.00 40.23 N ATOM 1407 CA ASN A 101 9.698 -1.983 7.801 1.00 12.35 C ATOM 1408 C ASN A 101 8.423 -1.254 7.427 1.00 63.43 C ATOM 1409 O ASN A 101 8.144 -1.070 6.242 1.00 60.21 O ATOM 1410 CB ASN A 101 10.823 -0.946 7.879 1.00 71.53 C ATOM 1411 CG ASN A 101 11.854 -1.266 8.940 1.00 44.41 C ATOM 1412 OD1 ASN A 101 12.430 -2.350 8.968 1.00 20.45 O ATOM 1413 ND2 ASN A 101 12.138 -0.310 9.805 1.00 52.03 N ATOM 0 H ASN A 101 10.625 -2.712 6.070 1.00 40.23 H new ATOM 0 HA ASN A 101 9.633 -2.485 8.766 1.00 12.35 H new ATOM 0 HB2 ASN A 101 11.317 -0.881 6.909 1.00 71.53 H new ATOM 0 HB3 ASN A 101 10.392 0.034 8.084 1.00 71.53 H new ATOM 0 HD21 ASN A 101 12.851 -0.463 10.518 1.00 52.03 H new ATOM 0 HD22 ASN A 101 11.645 0.582 9.760 1.00 52.03 H new ATOM 1419 N VAL A 102 7.740 -0.737 8.437 1.00 33.52 N ATOM 1420 CA VAL A 102 6.505 0.023 8.333 1.00 51.00 C ATOM 1421 C VAL A 102 6.764 1.404 8.942 1.00 13.42 C ATOM 1422 O VAL A 102 7.520 1.518 9.914 1.00 32.54 O ATOM 1423 CB VAL A 102 5.367 -0.783 9.010 1.00 63.52 C ATOM 1424 CG1 VAL A 102 5.743 -1.365 10.390 1.00 31.53 C ATOM 1425 CG2 VAL A 102 4.111 0.068 9.169 1.00 33.13 C ATOM 0 H VAL A 102 8.050 -0.843 9.403 1.00 33.52 H new ATOM 0 HA VAL A 102 6.182 0.183 7.304 1.00 51.00 H new ATOM 0 HB VAL A 102 5.182 -1.622 8.339 1.00 63.52 H new ATOM 0 HG11 VAL A 102 4.894 -1.914 10.797 1.00 31.53 H new ATOM 0 HG12 VAL A 102 6.593 -2.039 10.281 1.00 31.53 H new ATOM 0 HG13 VAL A 102 6.008 -0.553 11.067 1.00 31.53 H new ATOM 0 HG21 VAL A 102 3.329 -0.523 9.647 1.00 33.13 H new ATOM 0 HG22 VAL A 102 4.337 0.938 9.786 1.00 33.13 H new ATOM 0 HG23 VAL A 102 3.768 0.398 8.188 1.00 33.13 H new ATOM 1435 N GLU A 103 6.166 2.458 8.385 1.00 53.34 N ATOM 1436 CA GLU A 103 6.227 3.817 8.906 1.00 15.42 C ATOM 1437 C GLU A 103 4.979 4.592 8.427 1.00 15.15 C ATOM 1438 O GLU A 103 4.209 4.095 7.600 1.00 12.34 O ATOM 1439 CB GLU A 103 7.583 4.421 8.473 1.00 12.41 C ATOM 1440 CG GLU A 103 7.920 5.797 9.052 1.00 1.13 C ATOM 1441 CD GLU A 103 7.644 5.893 10.555 1.00 35.54 C ATOM 1442 OE1 GLU A 103 8.026 4.977 11.320 1.00 11.03 O ATOM 1443 OE2 GLU A 103 6.975 6.871 10.947 1.00 23.11 O ATOM 0 H GLU A 103 5.610 2.383 7.533 1.00 53.34 H new ATOM 0 HA GLU A 103 6.196 3.864 9.995 1.00 15.42 H new ATOM 0 HB2 GLU A 103 8.374 3.726 8.755 1.00 12.41 H new ATOM 0 HB3 GLU A 103 7.595 4.493 7.385 1.00 12.41 H new ATOM 0 HG2 GLU A 103 8.971 6.017 8.866 1.00 1.13 H new ATOM 0 HG3 GLU A 103 7.338 6.558 8.531 1.00 1.13 H new ATOM 1448 N PHE A 104 4.735 5.797 8.953 1.00 12.03 N ATOM 1449 CA PHE A 104 3.526 6.574 8.675 1.00 63.23 C ATOM 1450 C PHE A 104 3.932 7.786 7.825 1.00 35.44 C ATOM 1451 O PHE A 104 4.764 8.600 8.239 1.00 41.11 O ATOM 1452 CB PHE A 104 2.867 6.942 10.019 1.00 40.31 C ATOM 1453 CG PHE A 104 1.377 7.268 10.053 1.00 35.45 C ATOM 1454 CD1 PHE A 104 0.678 7.718 8.915 1.00 33.53 C ATOM 1455 CD2 PHE A 104 0.664 7.121 11.262 1.00 44.33 C ATOM 1456 CE1 PHE A 104 -0.691 8.017 8.984 1.00 52.13 C ATOM 1457 CE2 PHE A 104 -0.697 7.449 11.339 1.00 14.31 C ATOM 1458 CZ PHE A 104 -1.382 7.892 10.198 1.00 43.40 C ATOM 0 H PHE A 104 5.380 6.264 9.591 1.00 12.03 H new ATOM 0 HA PHE A 104 2.783 6.016 8.105 1.00 63.23 H new ATOM 0 HB2 PHE A 104 3.037 6.113 10.706 1.00 40.31 H new ATOM 0 HB3 PHE A 104 3.401 7.803 10.421 1.00 40.31 H new ATOM 0 HD1 PHE A 104 1.203 7.834 7.978 1.00 33.53 H new ATOM 0 HD2 PHE A 104 1.173 6.751 12.139 1.00 44.33 H new ATOM 0 HE1 PHE A 104 -1.215 8.345 8.098 1.00 52.13 H new ATOM 0 HE2 PHE A 104 -1.220 7.360 12.280 1.00 14.31 H new ATOM 0 HZ PHE A 104 -2.433 8.135 10.254 1.00 43.40 H new ATOM 1467 N ALA A 105 3.356 7.914 6.629 1.00 72.40 N ATOM 1468 CA ALA A 105 3.558 9.033 5.710 1.00 51.32 C ATOM 1469 C ALA A 105 2.268 9.836 5.576 1.00 41.14 C ATOM 1470 O ALA A 105 1.704 9.978 4.491 1.00 21.12 O ATOM 1471 CB ALA A 105 4.081 8.543 4.361 1.00 21.22 C ATOM 0 H ALA A 105 2.712 7.214 6.261 1.00 72.40 H new ATOM 0 HA ALA A 105 4.320 9.698 6.117 1.00 51.32 H new ATOM 0 HB1 ALA A 105 4.223 9.394 3.695 1.00 21.22 H new ATOM 0 HB2 ALA A 105 5.033 8.031 4.504 1.00 21.22 H new ATOM 0 HB3 ALA A 105 3.361 7.854 3.920 1.00 21.22 H new ATOM 1477 N LYS A 106 1.787 10.373 6.695 1.00 21.44 N ATOM 1478 CA LYS A 106 0.740 11.373 6.720 1.00 20.52 C ATOM 1479 C LYS A 106 1.169 12.619 5.931 1.00 13.05 C ATOM 1480 O LYS A 106 2.356 12.820 5.664 1.00 51.00 O ATOM 1481 CB LYS A 106 0.466 11.670 8.199 1.00 55.22 C ATOM 1482 CG LYS A 106 -0.935 12.241 8.375 1.00 75.50 C ATOM 1483 CD LYS A 106 -1.344 12.236 9.842 1.00 11.03 C ATOM 1484 CE LYS A 106 -2.708 12.921 9.982 1.00 42.02 C ATOM 1485 NZ LYS A 106 -3.078 13.157 11.390 1.00 0.31 N ATOM 0 H LYS A 106 2.125 10.116 7.622 1.00 21.44 H new ATOM 0 HA LYS A 106 -0.174 11.024 6.239 1.00 20.52 H new ATOM 0 HB2 LYS A 106 0.570 10.757 8.785 1.00 55.22 H new ATOM 0 HB3 LYS A 106 1.204 12.377 8.577 1.00 55.22 H new ATOM 0 HG2 LYS A 106 -0.968 13.259 7.988 1.00 75.50 H new ATOM 0 HG3 LYS A 106 -1.646 11.655 7.793 1.00 75.50 H new ATOM 0 HD2 LYS A 106 -1.396 11.213 10.215 1.00 11.03 H new ATOM 0 HD3 LYS A 106 -0.598 12.756 10.443 1.00 11.03 H new ATOM 0 HE2 LYS A 106 -2.690 13.872 9.450 1.00 42.02 H new ATOM 0 HE3 LYS A 106 -3.471 12.305 9.507 1.00 42.02 H new ATOM 0 HZ1 LYS A 106 -4.007 13.622 11.431 1.00 0.31 H new ATOM 0 HZ2 LYS A 106 -3.122 12.248 11.894 1.00 0.31 H new ATOM 0 HZ3 LYS A 106 -2.365 13.767 11.839 1.00 0.31 H new ATOM 1495 N GLY A 107 0.214 13.486 5.602 1.00 33.43 N ATOM 1496 CA GLY A 107 0.470 14.832 5.112 1.00 32.15 C ATOM 1497 C GLY A 107 -0.612 15.279 4.137 1.00 14.03 C ATOM 1498 O GLY A 107 -1.030 14.490 3.289 1.00 14.23 O ATOM 0 H GLY A 107 -0.779 13.265 5.671 1.00 33.43 H new ATOM 0 HA2 GLY A 107 0.515 15.525 5.952 1.00 32.15 H new ATOM 0 HA3 GLY A 107 1.442 14.864 4.620 1.00 32.15 H new ATOM 1502 N SER A 108 -1.077 16.524 4.298 1.00 21.55 N ATOM 1503 CA SER A 108 -1.764 17.388 3.327 1.00 20.14 C ATOM 1504 C SER A 108 -2.268 18.700 3.972 1.00 23.54 C ATOM 1505 O SER A 108 -3.143 19.353 3.399 1.00 4.31 O ATOM 1506 CB SER A 108 -2.854 16.654 2.504 1.00 62.40 C ATOM 1507 OG SER A 108 -2.359 16.305 1.220 1.00 15.05 O ATOM 0 H SER A 108 -0.972 16.997 5.195 1.00 21.55 H new ATOM 0 HA SER A 108 -1.010 17.673 2.593 1.00 20.14 H new ATOM 0 HB2 SER A 108 -3.174 15.756 3.033 1.00 62.40 H new ATOM 0 HB3 SER A 108 -3.731 17.293 2.400 1.00 62.40 H new ATOM 0 HG SER A 108 -1.702 15.583 1.308 1.00 15.05 H new ATOM 1512 N LYS A 109 -1.765 19.121 5.142 1.00 23.33 N ATOM 1513 CA LYS A 109 -2.115 20.442 5.679 1.00 73.12 C ATOM 1514 C LYS A 109 -1.346 21.521 4.912 1.00 62.31 C ATOM 1515 O LYS A 109 -0.387 21.209 4.198 1.00 60.31 O ATOM 1516 CB LYS A 109 -1.855 20.507 7.196 1.00 11.41 C ATOM 1517 CG LYS A 109 -2.713 21.611 7.851 1.00 40.31 C ATOM 1518 CD LYS A 109 -2.845 21.519 9.378 1.00 40.42 C ATOM 1519 CE LYS A 109 -1.813 22.369 10.129 1.00 23.24 C ATOM 1520 NZ LYS A 109 -0.430 21.906 9.920 1.00 21.24 N ATOM 0 H LYS A 109 -1.127 18.578 5.724 1.00 23.33 H new ATOM 0 HA LYS A 109 -3.181 20.621 5.541 1.00 73.12 H new ATOM 0 HB2 LYS A 109 -2.085 19.543 7.651 1.00 11.41 H new ATOM 0 HB3 LYS A 109 -0.799 20.703 7.381 1.00 11.41 H new ATOM 0 HG2 LYS A 109 -2.284 22.580 7.598 1.00 40.31 H new ATOM 0 HG3 LYS A 109 -3.711 21.580 7.414 1.00 40.31 H new ATOM 0 HD2 LYS A 109 -3.847 21.836 9.669 1.00 40.42 H new ATOM 0 HD3 LYS A 109 -2.739 20.478 9.683 1.00 40.42 H new ATOM 0 HE2 LYS A 109 -1.897 23.406 9.803 1.00 23.24 H new ATOM 0 HE3 LYS A 109 -2.040 22.350 11.195 1.00 23.24 H new ATOM 0 HZ1 LYS A 109 0.210 22.427 10.553 1.00 21.24 H new ATOM 0 HZ2 LYS A 109 -0.369 20.889 10.127 1.00 21.24 H new ATOM 0 HZ3 LYS A 109 -0.153 22.075 8.932 1.00 21.24 H new ATOM 1530 N ARG A 110 -1.733 22.786 5.069 1.00 34.31 N ATOM 1531 CA ARG A 110 -1.055 23.941 4.495 1.00 42.40 C ATOM 1532 C ARG A 110 -0.926 25.017 5.576 1.00 55.44 C ATOM 1533 O ARG A 110 -1.494 24.883 6.661 1.00 51.44 O ATOM 1534 CB ARG A 110 -1.827 24.383 3.234 1.00 75.24 C ATOM 1535 CG ARG A 110 -0.983 25.206 2.248 1.00 72.31 C ATOM 1536 CD ARG A 110 -1.184 26.720 2.371 1.00 13.42 C ATOM 1537 NE ARG A 110 0.091 27.467 2.327 1.00 1.14 N ATOM 1538 CZ ARG A 110 0.220 28.752 1.977 1.00 22.35 C ATOM 1539 NH1 ARG A 110 -0.775 29.385 1.363 1.00 44.32 N ATOM 1540 NH2 ARG A 110 1.349 29.402 2.241 1.00 14.05 N ATOM 0 H ARG A 110 -2.554 23.040 5.618 1.00 34.31 H new ATOM 0 HA ARG A 110 -0.040 23.714 4.169 1.00 42.40 H new ATOM 0 HB2 ARG A 110 -2.207 23.498 2.723 1.00 75.24 H new ATOM 0 HB3 ARG A 110 -2.693 24.972 3.537 1.00 75.24 H new ATOM 0 HG2 ARG A 110 0.070 24.975 2.406 1.00 72.31 H new ATOM 0 HG3 ARG A 110 -1.227 24.898 1.231 1.00 72.31 H new ATOM 0 HD2 ARG A 110 -1.831 27.064 1.564 1.00 13.42 H new ATOM 0 HD3 ARG A 110 -1.698 26.940 3.307 1.00 13.42 H new ATOM 0 HE ARG A 110 0.940 26.963 2.584 1.00 1.14 H new ATOM 0 HH11 ARG A 110 -1.643 28.891 1.156 1.00 44.32 H new ATOM 0 HH12 ARG A 110 -0.670 30.365 1.099 1.00 44.32 H new ATOM 0 HH21 ARG A 110 2.117 28.921 2.710 1.00 14.05 H new ATOM 0 HH22 ARG A 110 1.448 30.382 1.974 1.00 14.05 H new ATOM 1551 N ASP A 111 -0.122 26.038 5.307 1.00 73.50 N ATOM 1552 CA ASP A 111 0.227 27.107 6.240 1.00 52.00 C ATOM 1553 C ASP A 111 -0.912 28.129 6.322 1.00 64.51 C ATOM 1554 O ASP A 111 -1.433 28.534 5.280 1.00 74.40 O ATOM 1555 CB ASP A 111 1.511 27.798 5.731 1.00 44.20 C ATOM 1556 CG ASP A 111 2.655 27.883 6.741 1.00 64.12 C ATOM 1557 OD1 ASP A 111 2.678 27.133 7.739 1.00 14.22 O ATOM 1558 OD2 ASP A 111 3.651 28.575 6.420 1.00 61.21 O ATOM 0 H ASP A 111 0.324 26.150 4.396 1.00 73.50 H new ATOM 0 HA ASP A 111 0.391 26.691 7.234 1.00 52.00 H new ATOM 0 HB2 ASP A 111 1.866 27.263 4.850 1.00 44.20 H new ATOM 0 HB3 ASP A 111 1.257 28.808 5.410 1.00 44.20 H new ATOM 1562 N MET A 112 -1.284 28.555 7.534 1.00 74.24 N ATOM 1563 CA MET A 112 -2.149 29.704 7.838 1.00 23.12 C ATOM 1564 C MET A 112 -2.143 29.906 9.358 1.00 73.11 C ATOM 1565 O MET A 112 -2.166 28.898 10.074 1.00 53.20 O ATOM 1566 CB MET A 112 -3.596 29.433 7.388 1.00 40.43 C ATOM 1567 CG MET A 112 -4.347 30.750 7.220 1.00 15.14 C ATOM 1568 SD MET A 112 -6.122 30.586 6.933 1.00 54.23 S ATOM 1569 CE MET A 112 -6.482 32.350 6.744 1.00 33.14 C ATOM 0 H MET A 112 -0.971 28.080 8.381 1.00 74.24 H new ATOM 0 HA MET A 112 -1.778 30.585 7.313 1.00 23.12 H new ATOM 0 HB2 MET A 112 -3.596 28.883 6.447 1.00 40.43 H new ATOM 0 HB3 MET A 112 -4.103 28.807 8.123 1.00 40.43 H new ATOM 0 HG2 MET A 112 -4.193 31.355 8.114 1.00 15.14 H new ATOM 0 HG3 MET A 112 -3.908 31.297 6.385 1.00 15.14 H new ATOM 0 HE1 MET A 112 -7.547 32.486 6.555 1.00 33.14 H new ATOM 0 HE2 MET A 112 -6.205 32.878 7.657 1.00 33.14 H new ATOM 0 HE3 MET A 112 -5.911 32.750 5.906 1.00 33.14 H new ATOM 1577 N ALA A 113 -2.182 31.145 9.862 1.00 14.34 N ATOM 1578 CA ALA A 113 -2.626 31.441 11.225 1.00 54.42 C ATOM 1579 C ALA A 113 -3.045 32.906 11.360 1.00 1.24 C ATOM 1580 O ALA A 113 -2.431 33.777 10.746 1.00 12.25 O ATOM 1581 CB ALA A 113 -1.506 31.169 12.234 1.00 51.30 C ATOM 0 H ALA A 113 -1.905 31.972 9.333 1.00 14.34 H new ATOM 0 HA ALA A 113 -3.478 30.793 11.431 1.00 54.42 H new ATOM 0 HB1 ALA A 113 -1.859 31.396 13.240 1.00 51.30 H new ATOM 0 HB2 ALA A 113 -1.215 30.120 12.180 1.00 51.30 H new ATOM 0 HB3 ALA A 113 -0.646 31.797 12.001 1.00 51.30 H new ATOM 1587 N SER A 114 -4.042 33.152 12.211 1.00 51.20 N ATOM 1588 CA SER A 114 -4.399 34.367 12.926 1.00 73.13 C ATOM 1589 C SER A 114 -5.309 33.921 14.088 1.00 40.32 C ATOM 1590 O SER A 114 -5.718 32.752 14.107 1.00 53.14 O ATOM 1591 CB SER A 114 -5.163 35.288 11.982 1.00 73.22 C ATOM 1592 OG SER A 114 -4.271 36.012 11.160 1.00 71.35 O ATOM 0 H SER A 114 -4.698 32.405 12.440 1.00 51.20 H new ATOM 0 HA SER A 114 -3.525 34.904 13.295 1.00 73.13 H new ATOM 0 HB2 SER A 114 -5.841 34.701 11.363 1.00 73.22 H new ATOM 0 HB3 SER A 114 -5.777 35.980 12.559 1.00 73.22 H new ATOM 0 HG SER A 114 -3.523 35.434 10.900 1.00 71.35 H new ATOM 1597 N ASN A 115 -5.626 34.785 15.061 1.00 12.24 N ATOM 1598 CA ASN A 115 -6.814 34.707 15.931 1.00 54.41 C ATOM 1599 C ASN A 115 -6.708 35.801 16.992 1.00 32.25 C ATOM 1600 O ASN A 115 -5.885 35.678 17.902 1.00 2.15 O ATOM 1601 CB ASN A 115 -7.025 33.351 16.642 1.00 23.53 C ATOM 1602 CG ASN A 115 -8.126 32.502 16.010 1.00 44.13 C ATOM 1603 OD1 ASN A 115 -9.208 32.989 15.705 1.00 44.21 O ATOM 1604 ND2 ASN A 115 -7.908 31.209 15.847 1.00 35.13 N ATOM 0 H ASN A 115 -5.040 35.592 15.275 1.00 12.24 H new ATOM 0 HA ASN A 115 -7.674 34.833 15.273 1.00 54.41 H new ATOM 0 HB2 ASN A 115 -6.090 32.791 16.626 1.00 23.53 H new ATOM 0 HB3 ASN A 115 -7.271 33.532 17.688 1.00 23.53 H new ATOM 0 HD21 ASN A 115 -8.642 30.612 15.466 1.00 35.13 H new ATOM 0 HD22 ASN A 115 -7.006 30.808 16.102 1.00 35.13 H new ATOM 1610 N GLU A 116 -7.513 36.858 16.905 1.00 35.54 N ATOM 1611 CA GLU A 116 -7.558 37.940 17.887 1.00 1.02 C ATOM 1612 C GLU A 116 -8.833 38.777 17.730 1.00 52.21 C ATOM 1613 O GLU A 116 -9.580 38.607 16.764 1.00 64.45 O ATOM 1614 CB GLU A 116 -6.326 38.841 17.727 1.00 12.32 C ATOM 1615 CG GLU A 116 -6.082 39.303 16.287 1.00 30.20 C ATOM 1616 CD GLU A 116 -4.978 38.487 15.624 1.00 62.15 C ATOM 1617 OE1 GLU A 116 -3.797 38.733 15.976 1.00 32.44 O ATOM 1618 OE2 GLU A 116 -5.266 37.665 14.724 1.00 54.13 O ATOM 0 H GLU A 116 -8.167 36.989 16.133 1.00 35.54 H new ATOM 0 HA GLU A 116 -7.560 37.495 18.882 1.00 1.02 H new ATOM 0 HB2 GLU A 116 -6.443 39.717 18.365 1.00 12.32 H new ATOM 0 HB3 GLU A 116 -5.446 38.304 18.081 1.00 12.32 H new ATOM 0 HG2 GLU A 116 -7.003 39.209 15.711 1.00 30.20 H new ATOM 0 HG3 GLU A 116 -5.810 40.359 16.282 1.00 30.20 H new ATOM 1623 N GLY A 117 -9.055 39.725 18.647 1.00 30.24 N ATOM 1624 CA GLY A 117 -10.128 40.702 18.565 1.00 14.32 C ATOM 1625 C GLY A 117 -11.428 40.161 19.150 1.00 72.13 C ATOM 1626 O GLY A 117 -12.429 40.056 18.439 1.00 55.41 O ATOM 0 H GLY A 117 -8.478 39.830 19.481 1.00 30.24 H new ATOM 0 HA2 GLY A 117 -9.838 41.607 19.098 1.00 14.32 H new ATOM 0 HA3 GLY A 117 -10.286 40.982 17.524 1.00 14.32 H new ATOM 1630 N SER A 118 -11.445 39.848 20.447 1.00 44.42 N ATOM 1631 CA SER A 118 -12.630 39.330 21.119 1.00 1.24 C ATOM 1632 C SER A 118 -12.688 39.802 22.577 1.00 21.53 C ATOM 1633 O SER A 118 -12.807 39.004 23.510 1.00 74.13 O ATOM 1634 CB SER A 118 -12.667 37.803 20.956 1.00 0.30 C ATOM 1635 OG SER A 118 -13.999 37.328 21.021 1.00 62.21 O ATOM 0 H SER A 118 -10.635 39.948 21.058 1.00 44.42 H new ATOM 0 HA SER A 118 -13.534 39.728 20.658 1.00 1.24 H new ATOM 0 HB2 SER A 118 -12.221 37.523 20.002 1.00 0.30 H new ATOM 0 HB3 SER A 118 -12.069 37.334 21.737 1.00 0.30 H new ATOM 0 HG SER A 118 -14.005 36.354 20.914 1.00 62.21 H new ATOM 1640 N ARG A 119 -12.633 41.121 22.807 1.00 42.22 N ATOM 1641 CA ARG A 119 -13.021 41.683 24.101 1.00 14.40 C ATOM 1642 C ARG A 119 -13.589 43.088 23.913 1.00 14.43 C ATOM 1643 O ARG A 119 -12.889 44.083 24.075 1.00 51.25 O ATOM 1644 CB ARG A 119 -11.861 41.601 25.116 1.00 73.44 C ATOM 1645 CG ARG A 119 -12.380 41.421 26.554 1.00 0.03 C ATOM 1646 CD ARG A 119 -13.201 42.597 27.101 1.00 21.30 C ATOM 1647 NE ARG A 119 -12.415 43.841 27.139 1.00 73.52 N ATOM 1648 CZ ARG A 119 -12.895 45.073 27.345 1.00 1.44 C ATOM 1649 NH1 ARG A 119 -14.207 45.291 27.444 1.00 64.55 N ATOM 1650 NH2 ARG A 119 -12.045 46.090 27.473 1.00 5.33 N ATOM 0 H ARG A 119 -12.327 41.810 22.120 1.00 42.22 H new ATOM 0 HA ARG A 119 -13.821 41.084 24.535 1.00 14.40 H new ATOM 0 HB2 ARG A 119 -11.208 40.768 24.857 1.00 73.44 H new ATOM 0 HB3 ARG A 119 -11.259 42.508 25.056 1.00 73.44 H new ATOM 0 HG2 ARG A 119 -12.993 40.521 26.593 1.00 0.03 H new ATOM 0 HG3 ARG A 119 -11.528 41.255 27.213 1.00 0.03 H new ATOM 0 HD2 ARG A 119 -14.084 42.744 26.480 1.00 21.30 H new ATOM 0 HD3 ARG A 119 -13.553 42.359 28.105 1.00 21.30 H new ATOM 0 HE ARG A 119 -11.409 43.756 26.995 1.00 73.52 H new ATOM 0 HH11 ARG A 119 -14.861 44.512 27.363 1.00 64.55 H new ATOM 0 HH12 ARG A 119 -14.556 46.236 27.601 1.00 64.55 H new ATOM 0 HH21 ARG A 119 -11.040 45.925 27.414 1.00 5.33 H new ATOM 0 HH22 ARG A 119 -12.399 47.034 27.630 1.00 5.33 H new ATOM 1661 N ILE A 120 -14.877 43.158 23.587 1.00 63.34 N ATOM 1662 CA ILE A 120 -15.641 44.403 23.484 1.00 31.32 C ATOM 1663 C ILE A 120 -16.447 44.622 24.773 1.00 43.11 C ATOM 1664 O ILE A 120 -16.133 44.034 25.812 1.00 44.21 O ATOM 1665 CB ILE A 120 -16.486 44.421 22.188 1.00 20.11 C ATOM 1666 CG1 ILE A 120 -17.438 43.210 22.084 1.00 21.22 C ATOM 1667 CG2 ILE A 120 -15.541 44.526 20.980 1.00 1.44 C ATOM 1668 CD1 ILE A 120 -18.555 43.426 21.054 1.00 42.31 C ATOM 0 H ILE A 120 -15.435 42.329 23.381 1.00 63.34 H new ATOM 0 HA ILE A 120 -14.968 45.256 23.396 1.00 31.32 H new ATOM 0 HB ILE A 120 -17.139 45.294 22.207 1.00 20.11 H new ATOM 0 HG12 ILE A 120 -16.865 42.324 21.813 1.00 21.22 H new ATOM 0 HG13 ILE A 120 -17.882 43.016 23.061 1.00 21.22 H new ATOM 0 HG21 ILE A 120 -16.126 44.539 20.060 1.00 1.44 H new ATOM 0 HG22 ILE A 120 -14.958 45.444 21.053 1.00 1.44 H new ATOM 0 HG23 ILE A 120 -14.868 43.669 20.969 1.00 1.44 H new ATOM 0 HD11 ILE A 120 -19.195 42.544 21.021 1.00 42.31 H new ATOM 0 HD12 ILE A 120 -19.148 44.295 21.338 1.00 42.31 H new ATOM 0 HD13 ILE A 120 -18.116 43.592 20.070 1.00 42.31 H new ATOM 1679 N SER A 121 -17.425 45.525 24.738 1.00 55.43 N ATOM 1680 CA SER A 121 -18.347 45.833 25.818 1.00 72.13 C ATOM 1681 C SER A 121 -19.679 46.238 25.171 1.00 21.54 C ATOM 1682 O SER A 121 -19.683 46.622 24.000 1.00 55.11 O ATOM 1683 CB SER A 121 -17.744 46.976 26.636 1.00 73.24 C ATOM 1684 OG SER A 121 -18.163 46.915 27.981 1.00 40.43 O ATOM 0 H SER A 121 -17.601 46.090 23.907 1.00 55.43 H new ATOM 0 HA SER A 121 -18.518 44.987 26.484 1.00 72.13 H new ATOM 0 HB2 SER A 121 -16.656 46.927 26.588 1.00 73.24 H new ATOM 0 HB3 SER A 121 -18.039 47.932 26.203 1.00 73.24 H new ATOM 0 HG SER A 121 -17.762 47.655 28.482 1.00 40.43 H new ATOM 1689 N ALA A 122 -20.785 46.183 25.914 1.00 0.13 N ATOM 1690 CA ALA A 122 -22.101 46.673 25.511 1.00 33.51 C ATOM 1691 C ALA A 122 -22.913 46.978 26.777 1.00 31.30 C ATOM 1692 O ALA A 122 -22.477 46.628 27.873 1.00 11.10 O ATOM 1693 CB ALA A 122 -22.814 45.616 24.654 1.00 3.32 C ATOM 0 H ALA A 122 -20.787 45.779 26.851 1.00 0.13 H new ATOM 0 HA ALA A 122 -21.999 47.579 24.914 1.00 33.51 H new ATOM 0 HB1 ALA A 122 -23.794 45.989 24.358 1.00 3.32 H new ATOM 0 HB2 ALA A 122 -22.220 45.409 23.764 1.00 3.32 H new ATOM 0 HB3 ALA A 122 -22.934 44.700 25.232 1.00 3.32 H new ATOM 1699 N ALA A 123 -24.084 47.605 26.624 1.00 3.41 N ATOM 1700 CA ALA A 123 -25.084 47.763 27.678 1.00 11.20 C ATOM 1701 C ALA A 123 -26.455 47.959 27.021 1.00 15.21 C ATOM 1702 O ALA A 123 -27.249 47.027 26.932 1.00 74.55 O ATOM 1703 CB ALA A 123 -24.714 48.929 28.610 1.00 71.12 C ATOM 0 H ALA A 123 -24.367 48.027 25.739 1.00 3.41 H new ATOM 0 HA ALA A 123 -25.119 46.870 28.302 1.00 11.20 H new ATOM 0 HB1 ALA A 123 -25.472 49.028 29.387 1.00 71.12 H new ATOM 0 HB2 ALA A 123 -23.746 48.733 29.071 1.00 71.12 H new ATOM 0 HB3 ALA A 123 -24.662 49.853 28.034 1.00 71.12 H new ATOM 1709 N SER A 124 -26.727 49.161 26.515 1.00 12.34 N ATOM 1710 CA SER A 124 -27.886 49.499 25.704 1.00 13.14 C ATOM 1711 C SER A 124 -27.558 50.770 24.926 1.00 12.24 C ATOM 1712 O SER A 124 -26.610 51.476 25.271 1.00 3.30 O ATOM 1713 CB SER A 124 -29.107 49.686 26.613 1.00 2.01 C ATOM 1714 OG SER A 124 -29.761 48.443 26.760 1.00 52.01 O ATOM 0 H SER A 124 -26.113 49.961 26.669 1.00 12.34 H new ATOM 0 HA SER A 124 -28.124 48.703 24.998 1.00 13.14 H new ATOM 0 HB2 SER A 124 -28.798 50.067 27.586 1.00 2.01 H new ATOM 0 HB3 SER A 124 -29.787 50.422 26.184 1.00 2.01 H new ATOM 0 HG SER A 124 -29.094 47.730 26.844 1.00 52.01 H new ATOM 1719 N VAL A 125 -28.320 51.047 23.868 1.00 11.10 N ATOM 1720 CA VAL A 125 -28.100 52.170 22.970 1.00 15.32 C ATOM 1721 C VAL A 125 -29.488 52.715 22.627 1.00 61.23 C ATOM 1722 O VAL A 125 -30.286 52.027 21.992 1.00 13.44 O ATOM 1723 CB VAL A 125 -27.296 51.718 21.728 1.00 54.13 C ATOM 1724 CG1 VAL A 125 -27.011 52.909 20.796 1.00 3.42 C ATOM 1725 CG2 VAL A 125 -25.950 51.063 22.083 1.00 73.32 C ATOM 0 H VAL A 125 -29.127 50.479 23.609 1.00 11.10 H new ATOM 0 HA VAL A 125 -27.501 52.958 23.426 1.00 15.32 H new ATOM 0 HB VAL A 125 -27.922 50.976 21.232 1.00 54.13 H new ATOM 0 HG11 VAL A 125 -26.445 52.566 19.930 1.00 3.42 H new ATOM 0 HG12 VAL A 125 -27.953 53.345 20.464 1.00 3.42 H new ATOM 0 HG13 VAL A 125 -26.433 53.661 21.333 1.00 3.42 H new ATOM 0 HG21 VAL A 125 -25.436 50.769 21.168 1.00 73.32 H new ATOM 0 HG22 VAL A 125 -25.333 51.774 22.633 1.00 73.32 H new ATOM 0 HG23 VAL A 125 -26.126 50.182 22.700 1.00 73.32 H new ATOM 1735 N ALA A 126 -29.791 53.931 23.084 1.00 42.13 N ATOM 1736 CA ALA A 126 -31.033 54.642 22.825 1.00 75.11 C ATOM 1737 C ALA A 126 -30.657 56.117 22.700 1.00 71.25 C ATOM 1738 O ALA A 126 -30.445 56.778 23.711 1.00 22.21 O ATOM 1739 CB ALA A 126 -32.025 54.389 23.970 1.00 35.21 C ATOM 0 H ALA A 126 -29.148 54.465 23.668 1.00 42.13 H new ATOM 0 HA ALA A 126 -31.525 54.304 21.913 1.00 75.11 H new ATOM 0 HB1 ALA A 126 -32.954 54.924 23.771 1.00 35.21 H new ATOM 0 HB2 ALA A 126 -32.230 53.321 24.045 1.00 35.21 H new ATOM 0 HB3 ALA A 126 -31.596 54.742 24.908 1.00 35.21 H new ATOM 1745 N SER A 127 -30.454 56.604 21.472 1.00 60.14 N ATOM 1746 CA SER A 127 -29.825 57.905 21.235 1.00 11.12 C ATOM 1747 C SER A 127 -30.343 58.579 19.955 1.00 35.22 C ATOM 1748 O SER A 127 -29.669 59.454 19.413 1.00 2.22 O ATOM 1749 CB SER A 127 -28.300 57.700 21.206 1.00 22.44 C ATOM 1750 OG SER A 127 -27.605 58.926 21.232 1.00 51.44 O ATOM 0 H SER A 127 -30.719 56.110 20.620 1.00 60.14 H new ATOM 0 HA SER A 127 -30.088 58.588 22.043 1.00 11.12 H new ATOM 0 HB2 SER A 127 -27.999 57.094 22.060 1.00 22.44 H new ATOM 0 HB3 SER A 127 -28.025 57.146 20.309 1.00 22.44 H new ATOM 0 HG SER A 127 -28.031 59.557 20.615 1.00 51.44 H new ATOM 1755 N THR A 128 -31.501 58.174 19.431 1.00 60.42 N ATOM 1756 CA THR A 128 -32.033 58.700 18.183 1.00 35.51 C ATOM 1757 C THR A 128 -33.551 58.789 18.334 1.00 12.14 C ATOM 1758 O THR A 128 -34.232 57.769 18.355 1.00 72.32 O ATOM 1759 CB THR A 128 -31.511 57.854 16.998 1.00 52.11 C ATOM 1760 OG1 THR A 128 -31.963 58.393 15.778 1.00 44.05 O ATOM 1761 CG2 THR A 128 -31.835 56.352 17.043 1.00 75.14 C ATOM 0 H THR A 128 -32.095 57.468 19.866 1.00 60.42 H new ATOM 0 HA THR A 128 -31.688 59.709 17.957 1.00 35.51 H new ATOM 0 HB THR A 128 -30.426 57.913 17.087 1.00 52.11 H new ATOM 0 HG1 THR A 128 -31.625 57.850 15.035 1.00 44.05 H new ATOM 0 HG21 THR A 128 -31.419 55.863 16.162 1.00 75.14 H new ATOM 0 HG22 THR A 128 -31.400 55.913 17.941 1.00 75.14 H new ATOM 0 HG23 THR A 128 -32.916 56.213 17.058 1.00 75.14 H new ATOM 1769 N ALA A 129 -34.078 59.994 18.554 1.00 73.21 N ATOM 1770 CA ALA A 129 -35.506 60.268 18.616 1.00 13.40 C ATOM 1771 C ALA A 129 -35.704 61.670 18.056 1.00 73.11 C ATOM 1772 O ALA A 129 -35.398 62.646 18.740 1.00 75.52 O ATOM 1773 CB ALA A 129 -36.030 60.173 20.058 1.00 42.21 C ATOM 0 H ALA A 129 -33.505 60.825 18.697 1.00 73.21 H new ATOM 0 HA ALA A 129 -36.065 59.533 18.038 1.00 13.40 H new ATOM 0 HB1 ALA A 129 -37.100 60.383 20.071 1.00 42.21 H new ATOM 0 HB2 ALA A 129 -35.852 59.169 20.444 1.00 42.21 H new ATOM 0 HB3 ALA A 129 -35.510 60.899 20.683 1.00 42.21 H new ATOM 1779 N ILE A 130 -36.168 61.775 16.812 1.00 3.43 N ATOM 1780 CA ILE A 130 -36.518 63.033 16.185 1.00 52.21 C ATOM 1781 C ILE A 130 -37.638 62.741 15.186 1.00 35.34 C ATOM 1782 O ILE A 130 -37.760 61.624 14.680 1.00 22.24 O ATOM 1783 CB ILE A 130 -35.258 63.679 15.549 1.00 23.10 C ATOM 1784 CG1 ILE A 130 -35.478 65.119 15.038 1.00 13.30 C ATOM 1785 CG2 ILE A 130 -34.660 62.825 14.415 1.00 3.40 C ATOM 1786 CD1 ILE A 130 -35.876 66.108 16.142 1.00 64.11 C ATOM 0 H ILE A 130 -36.311 60.967 16.206 1.00 3.43 H new ATOM 0 HA ILE A 130 -36.884 63.766 16.904 1.00 52.21 H new ATOM 0 HB ILE A 130 -34.547 63.726 16.374 1.00 23.10 H new ATOM 0 HG12 ILE A 130 -34.563 65.470 14.560 1.00 13.30 H new ATOM 0 HG13 ILE A 130 -36.254 65.110 14.273 1.00 13.30 H new ATOM 0 HG21 ILE A 130 -33.782 63.325 14.007 1.00 3.40 H new ATOM 0 HG22 ILE A 130 -34.373 61.849 14.807 1.00 3.40 H new ATOM 0 HG23 ILE A 130 -35.402 62.695 13.627 1.00 3.40 H new ATOM 0 HD11 ILE A 130 -36.014 67.099 15.710 1.00 64.11 H new ATOM 0 HD12 ILE A 130 -36.807 65.781 16.605 1.00 64.11 H new ATOM 0 HD13 ILE A 130 -35.090 66.147 16.896 1.00 64.11 H new ATOM 1797 N ALA A 131 -38.458 63.756 14.950 1.00 51.05 N ATOM 1798 CA ALA A 131 -39.308 64.018 13.799 1.00 54.32 C ATOM 1799 C ALA A 131 -39.702 65.484 13.967 1.00 20.51 C ATOM 1800 O ALA A 131 -40.836 65.845 13.618 1.00 73.25 O ATOM 1801 CB ALA A 131 -40.556 63.121 13.793 1.00 60.23 C ATOM 0 H ALA A 131 -38.553 64.500 15.641 1.00 51.05 H new ATOM 0 HA ALA A 131 -38.799 63.812 12.858 1.00 54.32 H new ATOM 0 HB1 ALA A 131 -41.164 63.349 12.917 1.00 60.23 H new ATOM 0 HB2 ALA A 131 -40.252 62.075 13.762 1.00 60.23 H new ATOM 0 HB3 ALA A 131 -41.139 63.302 14.696 1.00 60.23 H new TER 1807 ALA A 131