USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1272 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: B 74 ASN : amide:sc= -3.59! C(o=-2.4!,f=-6!) USER MOD Set 1.2: B 76 THR OG1 : rot -8:sc= 1.05 USER MOD Set 1.3: B 78 GLN : amide:sc= 0.0882 X(o=-2.4,f=-2.4) USER MOD Set 2.1: B 13 CYS SG : rot 180:sc= -2.5 USER MOD Set 2.2: B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 22 TYR OH : rot -90:sc= -2.02! USER MOD Set 3.2: B 52 GLN : amide:sc= -4.23! C(o=-6.3!,f=-5.8!) USER MOD Set 4.1: A 58 TYR OH : rot -114:sc= 0.0367 USER MOD Set 4.2: A 62 HIS : no HE2:sc= -0.0749 X(o=-0.038,f=-0.19) USER MOD Set 5.1: A 22 TYR OH : rot 93:sc= 0.0477 USER MOD Set 5.2: A 52 GLN :FLIP amide:sc= -4.8! C(o=-6.4!,f=-4.8!) USER MOD Set 6.1: A 13 CYS SG : rot -79:sc= -2.65! USER MOD Set 6.2: A 27 MET CE :methyl -162:sc= -0.13 (180deg=-0.149) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -13:sc= 0.747 USER MOD Single : A 6 GLN : amide:sc= -0.102 K(o=-0.1,f=-2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.14 (180deg=-1.08) USER MOD Single : A 30 MET CE :methyl 172:sc= -0.591 (180deg=-0.723) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.18 (180deg=-1.07) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -55:sc= 0.182 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 56 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.5!) USER MOD Single : A 59 SER OG : rot 74:sc= 1.09 USER MOD Single : A 61 GLN :FLIP amide:sc= -3.58! C(o=-4.9!,f=-3.6!) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.216! F(o=-1.2,f=-0.22!) USER MOD Single : A 65 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.26) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -2.2! C(o=-2.2!,f=-13!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 32:sc= 0.838 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 79 CYS SG : rot -22:sc= 0.484 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -1.99! USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-0.93!) USER MOD Single : B 15 LYS NZ :NH3+ -159:sc= -0.0527 (180deg=-0.644) USER MOD Single : B 19 LYS NZ :NH3+ -163:sc=-0.00144 (180deg=-0.246) USER MOD Single : B 30 MET CE :methyl -152:sc= -0.533 (180deg=-3.18) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.132 F(o=-2.5!,f=-0.13) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.3!) USER MOD Single : B 58 TYR OH : rot -42:sc= 0.853 USER MOD Single : B 59 SER OG : rot 67:sc= 0.88 USER MOD Single : B 61 GLN :FLIP amide:sc= -0.16 F(o=-1,f=-0.16) USER MOD Single : B 62 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-1) USER MOD Single : B 63 ASN : amide:sc= -2.87! C(o=-2.9!,f=-3!) USER MOD Single : B 65 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.52!) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 180:sc= -0.595 USER MOD Single : B 79 CYS SG : rot 180:sc= -0.44 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 58.790 19.045 24.665 1.00 6.58 N ATOM 2 CA GLY A 1 57.762 19.877 25.435 1.00 5.97 C ATOM 3 C GLY A 1 56.337 19.877 25.001 1.00 5.09 C ATOM 4 O GLY A 1 56.035 19.739 23.832 1.00 5.27 O ATOM 0 H1 GLY A 1 59.727 19.161 25.101 1.00 6.58 H new ATOM 0 H2 GLY A 1 58.516 18.042 24.693 1.00 6.58 H new ATOM 0 H3 GLY A 1 58.826 19.366 23.676 1.00 6.58 H new ATOM 0 HA2 GLY A 1 57.786 19.545 26.473 1.00 5.97 H new ATOM 0 HA3 GLY A 1 58.106 20.911 25.423 1.00 5.97 H new ATOM 10 N SER A 2 55.426 20.033 25.922 1.00 4.50 N ATOM 11 CA SER A 2 53.983 20.042 25.549 1.00 3.95 C ATOM 12 C SER A 2 53.146 20.555 26.731 1.00 3.15 C ATOM 13 O SER A 2 52.384 19.804 27.306 1.00 3.20 O ATOM 14 CB SER A 2 53.544 18.619 25.202 1.00 4.48 C ATOM 15 OG SER A 2 54.202 18.201 24.013 1.00 5.04 O ATOM 0 H SER A 2 55.618 20.155 26.916 1.00 4.50 H new ATOM 0 HA SER A 2 53.835 20.696 24.689 1.00 3.95 H new ATOM 0 HB2 SER A 2 53.784 17.942 26.022 1.00 4.48 H new ATOM 0 HB3 SER A 2 52.463 18.583 25.065 1.00 4.48 H new ATOM 0 HG SER A 2 54.615 18.976 23.578 1.00 5.04 H new ATOM 21 N PRO A 3 53.305 21.819 27.067 1.00 2.92 N ATOM 22 CA PRO A 3 52.553 22.415 28.187 1.00 2.64 C ATOM 23 C PRO A 3 51.047 22.355 27.891 1.00 2.05 C ATOM 24 O PRO A 3 50.546 23.051 27.030 1.00 2.43 O ATOM 25 CB PRO A 3 53.059 23.876 28.277 1.00 3.31 C ATOM 26 CG PRO A 3 54.120 24.073 27.153 1.00 3.84 C ATOM 27 CD PRO A 3 54.229 22.743 26.374 1.00 3.57 C ATOM 0 HA PRO A 3 52.705 21.888 29.129 1.00 2.64 H new ATOM 0 HB2 PRO A 3 52.233 24.576 28.152 1.00 3.31 H new ATOM 0 HB3 PRO A 3 53.497 24.071 29.256 1.00 3.31 H new ATOM 0 HG2 PRO A 3 53.826 24.884 26.487 1.00 3.84 H new ATOM 0 HG3 PRO A 3 55.085 24.346 27.581 1.00 3.84 H new ATOM 0 HD2 PRO A 3 53.948 22.873 25.329 1.00 3.57 H new ATOM 0 HD3 PRO A 3 55.250 22.362 26.384 1.00 3.57 H new ATOM 35 N LEU A 4 50.326 21.529 28.599 1.00 1.82 N ATOM 36 CA LEU A 4 48.859 21.425 28.357 1.00 1.56 C ATOM 37 C LEU A 4 48.607 21.147 26.874 1.00 1.26 C ATOM 38 O LEU A 4 48.584 22.046 26.057 1.00 1.39 O ATOM 39 CB LEU A 4 48.182 22.740 28.755 1.00 2.02 C ATOM 40 CG LEU A 4 48.751 23.225 30.090 1.00 2.71 C ATOM 41 CD1 LEU A 4 48.010 24.491 30.529 1.00 3.37 C ATOM 42 CD2 LEU A 4 48.573 22.134 31.152 1.00 3.27 C ATOM 0 H LEU A 4 50.689 20.922 29.334 1.00 1.82 H new ATOM 0 HA LEU A 4 48.447 20.611 28.954 1.00 1.56 H new ATOM 0 HB2 LEU A 4 48.345 23.493 27.984 1.00 2.02 H new ATOM 0 HB3 LEU A 4 47.105 22.596 28.838 1.00 2.02 H new ATOM 0 HG LEU A 4 49.812 23.445 29.973 1.00 2.71 H new ATOM 0 HD11 LEU A 4 48.414 24.838 31.480 1.00 3.37 H new ATOM 0 HD12 LEU A 4 48.139 25.268 29.775 1.00 3.37 H new ATOM 0 HD13 LEU A 4 46.949 24.270 30.645 1.00 3.37 H new ATOM 0 HD21 LEU A 4 48.979 22.481 32.102 1.00 3.27 H new ATOM 0 HD22 LEU A 4 47.513 21.911 31.270 1.00 3.27 H new ATOM 0 HD23 LEU A 4 49.101 21.233 30.840 1.00 3.27 H new ATOM 54 N GLY A 5 48.416 19.906 26.519 1.00 1.15 N ATOM 55 CA GLY A 5 48.166 19.570 25.089 1.00 1.08 C ATOM 56 C GLY A 5 46.948 20.347 24.586 1.00 0.85 C ATOM 57 O GLY A 5 46.719 20.459 23.398 1.00 0.91 O ATOM 0 H GLY A 5 48.422 19.110 27.157 1.00 1.15 H new ATOM 0 HA2 GLY A 5 49.041 19.817 24.488 1.00 1.08 H new ATOM 0 HA3 GLY A 5 47.997 18.499 24.981 1.00 1.08 H new ATOM 61 N GLN A 6 46.162 20.882 25.481 1.00 0.75 N ATOM 62 CA GLN A 6 44.957 21.647 25.051 1.00 0.73 C ATOM 63 C GLN A 6 45.375 22.791 24.124 1.00 0.58 C ATOM 64 O GLN A 6 44.611 23.238 23.294 1.00 0.62 O ATOM 65 CB GLN A 6 44.245 22.217 26.281 1.00 0.91 C ATOM 66 CG GLN A 6 42.913 22.845 25.859 1.00 1.13 C ATOM 67 CD GLN A 6 42.042 23.079 27.095 1.00 1.99 C ATOM 68 OE1 GLN A 6 42.385 22.659 28.183 1.00 2.72 O ATOM 69 NE2 GLN A 6 40.921 23.735 26.973 1.00 2.62 N ATOM 0 H GLN A 6 46.302 20.822 26.490 1.00 0.75 H new ATOM 0 HA GLN A 6 44.280 20.981 24.517 1.00 0.73 H new ATOM 0 HB2 GLN A 6 44.071 21.427 27.011 1.00 0.91 H new ATOM 0 HB3 GLN A 6 44.874 22.965 26.764 1.00 0.91 H new ATOM 0 HG2 GLN A 6 43.091 23.789 25.343 1.00 1.13 H new ATOM 0 HG3 GLN A 6 42.397 22.190 25.157 1.00 1.13 H new ATOM 0 HE21 GLN A 6 40.633 24.087 26.060 1.00 2.62 H new ATOM 0 HE22 GLN A 6 40.332 23.895 27.790 1.00 2.62 H new ATOM 78 N ASP A 7 46.580 23.272 24.253 1.00 0.55 N ATOM 79 CA ASP A 7 47.030 24.383 23.373 1.00 0.53 C ATOM 80 C ASP A 7 46.839 23.980 21.911 1.00 0.43 C ATOM 81 O ASP A 7 46.217 24.682 21.138 1.00 0.48 O ATOM 82 CB ASP A 7 48.510 24.667 23.636 1.00 0.67 C ATOM 83 CG ASP A 7 48.669 25.393 24.974 1.00 1.37 C ATOM 84 OD1 ASP A 7 47.674 25.877 25.485 1.00 1.94 O ATOM 85 OD2 ASP A 7 49.784 25.452 25.464 1.00 2.11 O ATOM 0 H ASP A 7 47.270 22.944 24.928 1.00 0.55 H new ATOM 0 HA ASP A 7 46.444 25.278 23.582 1.00 0.53 H new ATOM 0 HB2 ASP A 7 49.072 23.733 23.650 1.00 0.67 H new ATOM 0 HB3 ASP A 7 48.922 25.275 22.831 1.00 0.67 H new ATOM 90 N VAL A 8 47.367 22.853 21.527 1.00 0.38 N ATOM 91 CA VAL A 8 47.214 22.401 20.115 1.00 0.43 C ATOM 92 C VAL A 8 45.734 22.446 19.730 1.00 0.40 C ATOM 93 O VAL A 8 45.380 22.776 18.617 1.00 0.55 O ATOM 94 CB VAL A 8 47.740 20.970 19.979 1.00 0.52 C ATOM 95 CG1 VAL A 8 47.940 20.635 18.499 1.00 1.02 C ATOM 96 CG2 VAL A 8 49.076 20.850 20.716 1.00 1.23 C ATOM 0 H VAL A 8 47.898 22.224 22.129 1.00 0.38 H new ATOM 0 HA VAL A 8 47.781 23.057 19.454 1.00 0.43 H new ATOM 0 HB VAL A 8 47.020 20.275 20.411 1.00 0.52 H new ATOM 0 HG11 VAL A 8 48.315 19.616 18.404 1.00 1.02 H new ATOM 0 HG12 VAL A 8 46.989 20.722 17.974 1.00 1.02 H new ATOM 0 HG13 VAL A 8 48.660 21.328 18.063 1.00 1.02 H new ATOM 0 HG21 VAL A 8 49.454 19.832 20.621 1.00 1.23 H new ATOM 0 HG22 VAL A 8 49.795 21.545 20.282 1.00 1.23 H new ATOM 0 HG23 VAL A 8 48.933 21.087 21.770 1.00 1.23 H new ATOM 106 N PHE A 9 44.866 22.124 20.647 1.00 0.27 N ATOM 107 CA PHE A 9 43.409 22.157 20.339 1.00 0.25 C ATOM 108 C PHE A 9 43.046 23.544 19.806 1.00 0.25 C ATOM 109 O PHE A 9 42.422 23.678 18.773 1.00 0.36 O ATOM 110 CB PHE A 9 42.620 21.865 21.620 1.00 0.23 C ATOM 111 CG PHE A 9 41.210 21.458 21.278 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.223 22.434 21.116 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.888 20.103 21.134 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.913 22.057 20.807 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.577 19.727 20.826 1.00 0.19 C ATOM 116 CZ PHE A 9 38.590 20.705 20.663 1.00 0.20 C ATOM 0 H PHE A 9 45.102 21.839 21.597 1.00 0.27 H new ATOM 0 HA PHE A 9 43.164 21.406 19.588 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.109 21.071 22.185 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.607 22.749 22.258 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.472 23.479 21.229 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.651 19.349 21.261 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.150 22.811 20.679 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.327 18.682 20.714 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.577 20.415 20.426 1.00 0.20 H new ATOM 126 N LEU A 10 43.442 24.578 20.497 1.00 0.21 N ATOM 127 CA LEU A 10 43.129 25.951 20.017 1.00 0.21 C ATOM 128 C LEU A 10 43.801 26.162 18.660 1.00 0.22 C ATOM 129 O LEU A 10 43.305 26.881 17.815 1.00 0.27 O ATOM 130 CB LEU A 10 43.661 26.981 21.016 1.00 0.24 C ATOM 131 CG LEU A 10 43.117 26.672 22.416 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.802 27.579 23.438 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.600 26.914 22.462 1.00 0.28 C ATOM 0 H LEU A 10 43.967 24.530 21.370 1.00 0.21 H new ATOM 0 HA LEU A 10 42.050 26.072 19.922 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.751 26.962 21.027 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.362 27.984 20.712 1.00 0.24 H new ATOM 0 HG LEU A 10 43.319 25.627 22.651 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.417 27.361 24.434 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.877 27.402 23.418 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.601 28.622 23.192 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.226 26.691 23.461 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.390 27.956 22.220 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.106 26.267 21.737 1.00 0.28 H new ATOM 145 N ASP A 11 44.926 25.533 18.441 1.00 0.21 N ATOM 146 CA ASP A 11 45.626 25.692 17.136 1.00 0.23 C ATOM 147 C ASP A 11 44.701 25.216 16.015 1.00 0.20 C ATOM 148 O ASP A 11 44.346 25.970 15.131 1.00 0.29 O ATOM 149 CB ASP A 11 46.914 24.860 17.131 1.00 0.27 C ATOM 150 CG ASP A 11 47.829 25.338 16.001 1.00 1.08 C ATOM 151 OD1 ASP A 11 48.171 26.509 15.997 1.00 1.64 O ATOM 152 OD2 ASP A 11 48.170 24.525 15.158 1.00 1.92 O ATOM 0 H ASP A 11 45.388 24.917 19.110 1.00 0.21 H new ATOM 0 HA ASP A 11 45.882 26.740 16.983 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.424 24.954 18.090 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.677 23.804 16.999 1.00 0.27 H new ATOM 157 N TYR A 12 44.298 23.973 16.048 1.00 0.14 N ATOM 158 CA TYR A 12 43.386 23.463 14.985 1.00 0.12 C ATOM 159 C TYR A 12 42.210 24.428 14.845 1.00 0.11 C ATOM 160 O TYR A 12 41.949 24.967 13.788 1.00 0.15 O ATOM 161 CB TYR A 12 42.865 22.074 15.376 1.00 0.12 C ATOM 162 CG TYR A 12 44.010 21.079 15.388 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.718 20.807 14.209 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.364 20.427 16.577 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.775 19.890 14.220 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.421 19.509 16.587 1.00 0.27 C ATOM 167 CZ TYR A 12 46.127 19.240 15.409 1.00 0.30 C ATOM 168 OH TYR A 12 47.169 18.335 15.419 1.00 0.37 O ATOM 0 H TYR A 12 44.560 23.293 16.762 1.00 0.14 H new ATOM 0 HA TYR A 12 43.923 23.389 14.039 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.397 22.115 16.359 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.099 21.752 14.671 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.447 21.306 13.290 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.820 20.633 17.487 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.320 19.684 13.311 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.692 19.008 17.505 1.00 0.27 H new ATOM 0 HH TYR A 12 47.282 17.976 16.324 1.00 0.37 H new ATOM 178 N CYS A 13 41.511 24.650 15.919 1.00 0.12 N ATOM 179 CA CYS A 13 40.350 25.583 15.899 1.00 0.15 C ATOM 180 C CYS A 13 40.723 26.856 15.131 1.00 0.16 C ATOM 181 O CYS A 13 39.946 27.374 14.354 1.00 0.19 O ATOM 182 CB CYS A 13 39.984 25.935 17.345 1.00 0.19 C ATOM 183 SG CYS A 13 38.906 27.385 17.378 1.00 1.38 S ATOM 0 H CYS A 13 41.696 24.219 16.825 1.00 0.12 H new ATOM 0 HA CYS A 13 39.500 25.113 15.405 1.00 0.15 H new ATOM 0 HB2 CYS A 13 39.484 25.090 17.818 1.00 0.19 H new ATOM 0 HB3 CYS A 13 40.889 26.132 17.920 1.00 0.19 H new ATOM 0 HG CYS A 13 39.621 28.461 17.228 1.00 1.38 H new ATOM 189 N GLN A 14 41.907 27.359 15.340 1.00 0.17 N ATOM 190 CA GLN A 14 42.327 28.593 14.619 1.00 0.21 C ATOM 191 C GLN A 14 42.131 28.388 13.114 1.00 0.21 C ATOM 192 O GLN A 14 41.607 29.241 12.425 1.00 0.28 O ATOM 193 CB GLN A 14 43.804 28.879 14.915 1.00 0.25 C ATOM 194 CG GLN A 14 44.132 30.328 14.547 1.00 0.64 C ATOM 195 CD GLN A 14 45.650 30.523 14.539 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.332 30.032 13.661 1.00 1.68 O ATOM 197 NE2 GLN A 14 46.212 31.223 15.486 1.00 1.31 N ATOM 0 H GLN A 14 42.601 26.970 15.978 1.00 0.17 H new ATOM 0 HA GLN A 14 41.724 29.438 14.952 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.014 28.705 15.970 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.437 28.197 14.348 1.00 0.25 H new ATOM 0 HG2 GLN A 14 43.719 30.568 13.567 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.671 31.009 15.262 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.640 31.635 16.223 1.00 1.31 H new ATOM 0 HE22 GLN A 14 47.223 31.358 15.489 1.00 1.31 H new ATOM 206 N LYS A 15 42.543 27.260 12.600 1.00 0.20 N ATOM 207 CA LYS A 15 42.374 27.001 11.142 1.00 0.22 C ATOM 208 C LYS A 15 40.881 26.962 10.806 1.00 0.19 C ATOM 209 O LYS A 15 40.401 27.706 9.973 1.00 0.22 O ATOM 210 CB LYS A 15 43.015 25.658 10.786 1.00 0.25 C ATOM 211 CG LYS A 15 44.526 25.739 11.014 1.00 0.57 C ATOM 212 CD LYS A 15 45.124 24.330 10.996 1.00 1.16 C ATOM 213 CE LYS A 15 44.976 23.723 9.599 1.00 1.52 C ATOM 214 NZ LYS A 15 45.891 22.554 9.469 1.00 2.24 N ATOM 0 H LYS A 15 42.988 26.508 13.126 1.00 0.20 H new ATOM 0 HA LYS A 15 42.856 27.794 10.570 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.586 24.864 11.398 1.00 0.25 H new ATOM 0 HB3 LYS A 15 42.806 25.407 9.746 1.00 0.25 H new ATOM 0 HG2 LYS A 15 44.989 26.351 10.240 1.00 0.57 H new ATOM 0 HG3 LYS A 15 44.735 26.221 11.969 1.00 0.57 H new ATOM 0 HD2 LYS A 15 46.177 24.368 11.277 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.621 23.702 11.731 1.00 1.16 H new ATOM 0 HE2 LYS A 15 43.945 23.412 9.433 1.00 1.52 H new ATOM 0 HE3 LYS A 15 45.210 24.469 8.839 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 45.792 22.140 8.520 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 46.873 22.865 9.611 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 45.647 21.841 10.185 1.00 2.24 H new ATOM 228 N LEU A 16 40.144 26.101 11.456 1.00 0.15 N ATOM 229 CA LEU A 16 38.677 26.003 11.195 1.00 0.13 C ATOM 230 C LEU A 16 38.077 27.415 11.140 1.00 0.13 C ATOM 231 O LEU A 16 37.032 27.639 10.563 1.00 0.17 O ATOM 232 CB LEU A 16 38.034 25.198 12.350 1.00 0.11 C ATOM 233 CG LEU A 16 36.993 24.192 11.825 1.00 0.14 C ATOM 234 CD1 LEU A 16 37.669 23.137 10.922 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.331 23.511 13.029 1.00 0.17 C ATOM 0 H LEU A 16 40.498 25.456 12.162 1.00 0.15 H new ATOM 0 HA LEU A 16 38.488 25.504 10.245 1.00 0.13 H new ATOM 0 HB2 LEU A 16 38.810 24.666 12.901 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.558 25.883 13.052 1.00 0.11 H new ATOM 0 HG LEU A 16 36.243 24.713 11.230 1.00 0.14 H new ATOM 0 HD11 LEU A 16 36.919 22.434 10.560 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.141 23.633 10.074 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.424 22.599 11.494 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.589 22.793 12.679 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.089 22.992 13.616 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.844 24.263 13.650 1.00 0.17 H new ATOM 247 N LEU A 17 38.731 28.358 11.757 1.00 0.12 N ATOM 248 CA LEU A 17 38.211 29.750 11.772 1.00 0.13 C ATOM 249 C LEU A 17 38.596 30.482 10.482 1.00 0.15 C ATOM 250 O LEU A 17 37.748 30.942 9.743 1.00 0.22 O ATOM 251 CB LEU A 17 38.823 30.478 12.975 1.00 0.12 C ATOM 252 CG LEU A 17 37.987 31.729 13.323 1.00 0.12 C ATOM 253 CD1 LEU A 17 36.813 31.340 14.235 1.00 0.12 C ATOM 254 CD2 LEU A 17 38.855 32.764 14.054 1.00 0.13 C ATOM 0 H LEU A 17 39.611 28.221 12.255 1.00 0.12 H new ATOM 0 HA LEU A 17 37.124 29.733 11.845 1.00 0.13 H new ATOM 0 HB2 LEU A 17 38.862 29.808 13.834 1.00 0.12 H new ATOM 0 HB3 LEU A 17 39.849 30.768 12.750 1.00 0.12 H new ATOM 0 HG LEU A 17 37.610 32.157 12.394 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.229 32.228 14.475 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.179 30.616 13.723 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.197 30.899 15.155 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.253 33.640 14.293 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.243 32.328 14.975 1.00 0.13 H new ATOM 0 HD23 LEU A 17 39.686 33.059 13.414 1.00 0.13 H new ATOM 266 N GLU A 18 39.865 30.606 10.214 1.00 0.20 N ATOM 267 CA GLU A 18 40.301 31.322 8.984 1.00 0.25 C ATOM 268 C GLU A 18 39.791 30.581 7.744 1.00 0.21 C ATOM 269 O GLU A 18 39.321 31.183 6.799 1.00 0.25 O ATOM 270 CB GLU A 18 41.834 31.407 8.962 1.00 0.32 C ATOM 271 CG GLU A 18 42.438 30.059 8.550 1.00 1.41 C ATOM 272 CD GLU A 18 43.923 30.025 8.920 1.00 2.13 C ATOM 273 OE1 GLU A 18 44.227 29.638 10.037 1.00 2.62 O ATOM 274 OE2 GLU A 18 44.731 30.386 8.080 1.00 2.77 O ATOM 0 H GLU A 18 40.620 30.242 10.795 1.00 0.20 H new ATOM 0 HA GLU A 18 39.888 32.331 8.981 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.152 32.183 8.266 1.00 0.32 H new ATOM 0 HB3 GLU A 18 42.203 31.692 9.947 1.00 0.32 H new ATOM 0 HG2 GLU A 18 41.910 29.246 9.048 1.00 1.41 H new ATOM 0 HG3 GLU A 18 42.317 29.908 7.477 1.00 1.41 H new ATOM 281 N LYS A 19 39.884 29.281 7.739 1.00 0.20 N ATOM 282 CA LYS A 19 39.407 28.507 6.562 1.00 0.20 C ATOM 283 C LYS A 19 37.978 28.930 6.230 1.00 0.18 C ATOM 284 O LYS A 19 37.667 29.273 5.107 1.00 0.24 O ATOM 285 CB LYS A 19 39.450 27.015 6.889 1.00 0.22 C ATOM 286 CG LYS A 19 39.320 26.197 5.603 1.00 0.30 C ATOM 287 CD LYS A 19 39.081 24.731 5.963 1.00 0.37 C ATOM 288 CE LYS A 19 38.832 23.923 4.690 1.00 0.92 C ATOM 289 NZ LYS A 19 37.694 24.523 3.938 1.00 1.77 N ATOM 0 H LYS A 19 40.270 28.722 8.500 1.00 0.20 H new ATOM 0 HA LYS A 19 40.048 28.702 5.702 1.00 0.20 H new ATOM 0 HB2 LYS A 19 40.385 26.771 7.393 1.00 0.22 H new ATOM 0 HB3 LYS A 19 38.642 26.761 7.575 1.00 0.22 H new ATOM 0 HG2 LYS A 19 38.495 26.575 4.999 1.00 0.30 H new ATOM 0 HG3 LYS A 19 40.225 26.294 5.003 1.00 0.30 H new ATOM 0 HD2 LYS A 19 39.944 24.332 6.496 1.00 0.37 H new ATOM 0 HD3 LYS A 19 38.225 24.646 6.633 1.00 0.37 H new ATOM 0 HE2 LYS A 19 39.728 23.915 4.070 1.00 0.92 H new ATOM 0 HE3 LYS A 19 38.610 22.886 4.942 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 37.260 23.800 3.329 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 36.985 24.881 4.609 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 38.042 25.307 3.350 1.00 1.77 H new ATOM 303 N PHE A 20 37.108 28.924 7.200 1.00 0.16 N ATOM 304 CA PHE A 20 35.706 29.341 6.947 1.00 0.16 C ATOM 305 C PHE A 20 35.633 30.868 7.038 1.00 0.19 C ATOM 306 O PHE A 20 34.571 31.458 7.002 1.00 0.30 O ATOM 307 CB PHE A 20 34.801 28.708 8.004 1.00 0.14 C ATOM 308 CG PHE A 20 34.549 27.255 7.657 1.00 0.13 C ATOM 309 CD1 PHE A 20 35.534 26.299 7.934 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.340 26.861 7.058 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.317 24.954 7.616 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.126 25.514 6.740 1.00 0.13 C ATOM 313 CZ PHE A 20 34.114 24.561 7.019 1.00 0.12 C ATOM 0 H PHE A 20 37.311 28.647 8.160 1.00 0.16 H new ATOM 0 HA PHE A 20 35.379 29.017 5.959 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.267 28.782 8.987 1.00 0.14 H new ATOM 0 HB3 PHE A 20 33.856 29.248 8.058 1.00 0.14 H new ATOM 0 HD1 PHE A 20 36.463 26.601 8.394 1.00 0.13 H new ATOM 0 HD2 PHE A 20 32.578 27.595 6.843 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.078 24.219 7.831 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.198 25.210 6.279 1.00 0.13 H new ATOM 0 HZ PHE A 20 33.947 23.523 6.773 1.00 0.12 H new ATOM 323 N ARG A 21 36.769 31.507 7.147 1.00 0.18 N ATOM 324 CA ARG A 21 36.799 32.998 7.232 1.00 0.21 C ATOM 325 C ARG A 21 35.864 33.497 8.342 1.00 0.18 C ATOM 326 O ARG A 21 35.179 34.487 8.178 1.00 0.19 O ATOM 327 CB ARG A 21 36.352 33.594 5.892 1.00 0.29 C ATOM 328 CG ARG A 21 37.476 33.441 4.856 1.00 0.65 C ATOM 329 CD ARG A 21 37.000 33.923 3.464 1.00 1.12 C ATOM 330 NE ARG A 21 37.387 32.924 2.415 1.00 1.93 N ATOM 331 CZ ARG A 21 38.595 32.427 2.363 1.00 2.67 C ATOM 332 NH1 ARG A 21 39.524 32.863 3.167 1.00 2.95 N ATOM 333 NH2 ARG A 21 38.880 31.508 1.481 1.00 3.64 N ATOM 0 H ARG A 21 37.684 31.057 7.181 1.00 0.18 H new ATOM 0 HA ARG A 21 37.817 33.312 7.462 1.00 0.21 H new ATOM 0 HB2 ARG A 21 35.451 33.091 5.542 1.00 0.29 H new ATOM 0 HB3 ARG A 21 36.101 34.647 6.017 1.00 0.29 H new ATOM 0 HG2 ARG A 21 38.347 34.017 5.168 1.00 0.65 H new ATOM 0 HG3 ARG A 21 37.787 32.398 4.799 1.00 0.65 H new ATOM 0 HD2 ARG A 21 35.918 34.059 3.467 1.00 1.12 H new ATOM 0 HD3 ARG A 21 37.442 34.893 3.235 1.00 1.12 H new ATOM 0 HE ARG A 21 36.694 32.626 1.728 1.00 1.93 H new ATOM 0 HH11 ARG A 21 39.311 33.597 3.843 1.00 2.95 H new ATOM 0 HH12 ARG A 21 40.464 32.470 3.120 1.00 2.95 H new ATOM 0 HH21 ARG A 21 38.161 31.180 0.836 1.00 3.64 H new ATOM 0 HH22 ARG A 21 39.821 31.118 1.437 1.00 3.64 H new ATOM 347 N TYR A 22 35.823 32.835 9.472 1.00 0.15 N ATOM 348 CA TYR A 22 34.924 33.305 10.571 1.00 0.13 C ATOM 349 C TYR A 22 35.662 34.381 11.412 1.00 0.14 C ATOM 350 O TYR A 22 36.867 34.307 11.550 1.00 0.15 O ATOM 351 CB TYR A 22 34.573 32.120 11.491 1.00 0.11 C ATOM 352 CG TYR A 22 33.422 31.290 10.930 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.194 31.888 10.581 1.00 0.12 C ATOM 354 CD2 TYR A 22 33.584 29.905 10.771 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.150 31.102 10.078 1.00 0.13 C ATOM 356 CE2 TYR A 22 32.536 29.125 10.268 1.00 0.12 C ATOM 357 CZ TYR A 22 31.322 29.723 9.921 1.00 0.13 C ATOM 358 OH TYR A 22 30.290 28.952 9.426 1.00 0.15 O ATOM 0 H TYR A 22 36.367 31.998 9.680 1.00 0.15 H new ATOM 0 HA TYR A 22 34.015 33.723 10.138 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.450 31.486 11.618 1.00 0.11 H new ATOM 0 HB3 TYR A 22 34.304 32.494 12.479 1.00 0.11 H new ATOM 0 HD1 TYR A 22 32.058 32.953 10.702 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.521 29.439 11.038 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.210 31.562 9.811 1.00 0.13 H new ATOM 0 HE2 TYR A 22 32.666 28.060 10.148 1.00 0.12 H new ATOM 0 HH TYR A 22 30.380 28.871 8.453 1.00 0.15 H new ATOM 368 N PRO A 23 34.933 35.335 11.979 1.00 0.14 N ATOM 369 CA PRO A 23 35.548 36.382 12.826 1.00 0.16 C ATOM 370 C PRO A 23 36.224 35.741 14.053 1.00 0.16 C ATOM 371 O PRO A 23 36.163 34.547 14.257 1.00 0.15 O ATOM 372 CB PRO A 23 34.377 37.298 13.253 1.00 0.17 C ATOM 373 CG PRO A 23 33.067 36.646 12.732 1.00 0.15 C ATOM 374 CD PRO A 23 33.467 35.463 11.823 1.00 0.14 C ATOM 0 HA PRO A 23 36.321 36.941 12.299 1.00 0.16 H new ATOM 0 HB2 PRO A 23 34.348 37.405 14.337 1.00 0.17 H new ATOM 0 HB3 PRO A 23 34.500 38.298 12.837 1.00 0.17 H new ATOM 0 HG2 PRO A 23 32.454 36.300 13.564 1.00 0.15 H new ATOM 0 HG3 PRO A 23 32.472 37.371 12.177 1.00 0.15 H new ATOM 0 HD2 PRO A 23 32.957 34.547 12.121 1.00 0.14 H new ATOM 0 HD3 PRO A 23 33.196 35.655 10.785 1.00 0.14 H new ATOM 382 N TRP A 24 36.869 36.539 14.861 1.00 0.18 N ATOM 383 CA TRP A 24 37.562 36.004 16.075 1.00 0.19 C ATOM 384 C TRP A 24 36.560 35.743 17.206 1.00 0.19 C ATOM 385 O TRP A 24 36.880 35.104 18.188 1.00 0.21 O ATOM 386 CB TRP A 24 38.599 37.025 16.548 1.00 0.21 C ATOM 387 CG TRP A 24 39.268 36.520 17.787 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.052 36.995 19.035 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.253 35.454 17.918 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.842 36.288 19.924 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.600 35.328 19.284 1.00 0.42 C ATOM 392 CE3 TRP A 24 40.873 34.593 16.995 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.528 34.381 19.719 1.00 0.50 C ATOM 394 CZ3 TRP A 24 41.809 33.639 17.429 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.135 33.534 18.788 1.00 0.52 C ATOM 0 H TRP A 24 36.948 37.548 14.733 1.00 0.18 H new ATOM 0 HA TRP A 24 38.046 35.062 15.815 1.00 0.19 H new ATOM 0 HB2 TRP A 24 39.339 37.196 15.766 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.118 37.983 16.746 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.374 37.795 19.295 1.00 0.34 H new ATOM 0 HE1 TRP A 24 39.862 36.456 20.930 1.00 0.42 H new ATOM 0 HE3 TRP A 24 40.628 34.665 15.946 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.775 34.303 20.767 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.280 32.983 16.711 1.00 0.45 H new ATOM 0 HH2 TRP A 24 42.855 32.799 19.116 1.00 0.52 H new ATOM 406 N GLU A 25 35.364 36.249 17.097 1.00 0.18 N ATOM 407 CA GLU A 25 34.368 36.043 18.192 1.00 0.21 C ATOM 408 C GLU A 25 33.750 34.637 18.130 1.00 0.17 C ATOM 409 O GLU A 25 33.104 34.205 19.064 1.00 0.20 O ATOM 410 CB GLU A 25 33.256 37.088 18.062 1.00 0.29 C ATOM 411 CG GLU A 25 32.203 36.854 19.149 1.00 1.15 C ATOM 412 CD GLU A 25 31.315 38.094 19.278 1.00 1.55 C ATOM 413 OE1 GLU A 25 30.786 38.528 18.269 1.00 2.18 O ATOM 414 OE2 GLU A 25 31.180 38.588 20.386 1.00 1.97 O ATOM 0 H GLU A 25 35.031 36.794 16.302 1.00 0.18 H new ATOM 0 HA GLU A 25 34.882 36.148 19.147 1.00 0.21 H new ATOM 0 HB2 GLU A 25 33.673 38.091 18.155 1.00 0.29 H new ATOM 0 HB3 GLU A 25 32.796 37.024 17.076 1.00 0.29 H new ATOM 0 HG2 GLU A 25 31.596 35.984 18.900 1.00 1.15 H new ATOM 0 HG3 GLU A 25 32.689 36.642 20.101 1.00 1.15 H new ATOM 421 N LEU A 26 33.919 33.923 17.045 1.00 0.13 N ATOM 422 CA LEU A 26 33.310 32.553 16.947 1.00 0.11 C ATOM 423 C LEU A 26 34.318 31.469 17.331 1.00 0.10 C ATOM 424 O LEU A 26 34.241 30.354 16.855 1.00 0.11 O ATOM 425 CB LEU A 26 32.846 32.300 15.515 1.00 0.10 C ATOM 426 CG LEU A 26 32.038 33.492 14.999 1.00 0.10 C ATOM 427 CD1 LEU A 26 31.366 33.095 13.687 1.00 0.11 C ATOM 428 CD2 LEU A 26 30.966 33.890 16.024 1.00 0.12 C ATOM 0 H LEU A 26 34.448 34.223 16.226 1.00 0.13 H new ATOM 0 HA LEU A 26 32.467 32.512 17.636 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.709 32.131 14.871 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.238 31.396 15.477 1.00 0.10 H new ATOM 0 HG LEU A 26 32.702 34.342 14.841 1.00 0.10 H new ATOM 0 HD11 LEU A 26 30.786 33.936 13.307 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.127 32.820 12.957 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.705 32.246 13.859 1.00 0.11 H new ATOM 0 HD21 LEU A 26 30.398 34.739 15.645 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.293 33.049 16.192 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.445 34.164 16.964 1.00 0.12 H new ATOM 440 N MET A 27 35.255 31.765 18.185 1.00 0.12 N ATOM 441 CA MET A 27 36.234 30.719 18.573 1.00 0.13 C ATOM 442 C MET A 27 35.554 29.619 19.439 1.00 0.11 C ATOM 443 O MET A 27 35.885 28.461 19.283 1.00 0.13 O ATOM 444 CB MET A 27 37.422 31.362 19.327 1.00 0.18 C ATOM 445 CG MET A 27 38.495 31.819 18.332 1.00 0.19 C ATOM 446 SD MET A 27 39.294 30.377 17.584 1.00 1.17 S ATOM 447 CE MET A 27 40.481 30.039 18.909 1.00 0.31 C ATOM 0 H MET A 27 35.384 32.676 18.626 1.00 0.12 H new ATOM 0 HA MET A 27 36.613 30.241 17.670 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.073 32.212 19.913 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.848 30.645 20.029 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.044 32.439 17.557 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.237 32.434 18.841 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.279 29.401 18.529 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.906 30.978 19.265 1.00 0.31 H new ATOM 0 HE3 MET A 27 39.974 29.535 19.732 1.00 0.31 H new ATOM 457 N PRO A 28 34.632 29.981 20.328 1.00 0.10 N ATOM 458 CA PRO A 28 33.950 28.978 21.186 1.00 0.09 C ATOM 459 C PRO A 28 33.175 27.950 20.345 1.00 0.10 C ATOM 460 O PRO A 28 32.912 26.851 20.790 1.00 0.19 O ATOM 461 CB PRO A 28 32.994 29.807 22.074 1.00 0.09 C ATOM 462 CG PRO A 28 33.386 31.294 21.882 1.00 0.11 C ATOM 463 CD PRO A 28 34.195 31.374 20.576 1.00 0.11 C ATOM 0 HA PRO A 28 34.660 28.397 21.775 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.956 29.640 21.786 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.086 29.514 23.120 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.498 31.924 21.826 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.977 31.650 22.726 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.587 31.752 19.754 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.047 32.046 20.677 1.00 0.11 H new ATOM 471 N LEU A 29 32.798 28.288 19.145 1.00 0.11 N ATOM 472 CA LEU A 29 32.043 27.311 18.308 1.00 0.09 C ATOM 473 C LEU A 29 33.035 26.370 17.632 1.00 0.10 C ATOM 474 O LEU A 29 32.974 25.168 17.795 1.00 0.19 O ATOM 475 CB LEU A 29 31.229 28.060 17.256 1.00 0.08 C ATOM 476 CG LEU A 29 30.428 29.172 17.938 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.564 29.884 16.895 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.536 28.567 19.040 1.00 0.08 C ATOM 0 H LEU A 29 32.977 29.192 18.708 1.00 0.11 H new ATOM 0 HA LEU A 29 31.362 26.733 18.932 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.891 28.483 16.500 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.556 27.373 16.742 1.00 0.08 H new ATOM 0 HG LEU A 29 31.110 29.891 18.392 1.00 0.08 H new ATOM 0 HD11 LEU A 29 28.992 30.677 17.377 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.204 30.315 16.125 1.00 0.09 H new ATOM 0 HD13 LEU A 29 28.880 29.168 16.439 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.967 29.361 19.524 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.849 27.846 18.597 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.161 28.066 19.779 1.00 0.08 H new ATOM 490 N MET A 30 33.965 26.905 16.894 1.00 0.10 N ATOM 491 CA MET A 30 34.976 26.041 16.235 1.00 0.12 C ATOM 492 C MET A 30 35.595 25.132 17.301 1.00 0.10 C ATOM 493 O MET A 30 36.220 24.133 17.006 1.00 0.11 O ATOM 494 CB MET A 30 36.062 26.927 15.628 1.00 0.16 C ATOM 495 CG MET A 30 35.479 27.789 14.507 1.00 0.19 C ATOM 496 SD MET A 30 34.929 26.733 13.140 1.00 1.16 S ATOM 497 CE MET A 30 33.164 27.126 13.210 1.00 0.20 C ATOM 0 H MET A 30 34.067 27.905 16.720 1.00 0.10 H new ATOM 0 HA MET A 30 34.517 25.440 15.450 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.494 27.565 16.399 1.00 0.16 H new ATOM 0 HB3 MET A 30 36.870 26.308 15.237 1.00 0.16 H new ATOM 0 HG2 MET A 30 34.641 28.375 14.885 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.229 28.496 14.153 1.00 0.19 H new ATOM 0 HE1 MET A 30 32.658 26.683 12.352 1.00 0.20 H new ATOM 0 HE2 MET A 30 32.738 26.724 14.129 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.031 28.208 13.191 1.00 0.20 H new ATOM 507 N TYR A 31 35.423 25.494 18.545 1.00 0.09 N ATOM 508 CA TYR A 31 35.989 24.688 19.664 1.00 0.09 C ATOM 509 C TYR A 31 35.111 23.456 19.911 1.00 0.09 C ATOM 510 O TYR A 31 35.583 22.336 19.911 1.00 0.10 O ATOM 511 CB TYR A 31 36.026 25.568 20.922 1.00 0.09 C ATOM 512 CG TYR A 31 36.314 24.739 22.152 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.635 24.532 22.562 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.257 24.192 22.889 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.900 23.773 23.707 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.521 23.436 24.037 1.00 0.11 C ATOM 517 CZ TYR A 31 36.844 23.225 24.445 1.00 0.12 C ATOM 518 OH TYR A 31 37.106 22.480 25.577 1.00 0.14 O ATOM 0 H TYR A 31 34.908 26.325 18.836 1.00 0.09 H new ATOM 0 HA TYR A 31 36.996 24.352 19.415 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.790 26.337 20.810 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.072 26.081 21.040 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.450 24.958 21.995 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.237 24.353 22.572 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.920 23.610 24.022 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.706 23.016 24.607 1.00 0.11 H new ATOM 0 HH TYR A 31 36.262 22.175 25.970 1.00 0.14 H new ATOM 528 N VAL A 32 33.840 23.654 20.128 1.00 0.09 N ATOM 529 CA VAL A 32 32.936 22.496 20.382 1.00 0.09 C ATOM 530 C VAL A 32 32.965 21.541 19.184 1.00 0.09 C ATOM 531 O VAL A 32 33.131 20.348 19.337 1.00 0.12 O ATOM 532 CB VAL A 32 31.510 23.008 20.609 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.564 21.820 20.818 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.488 23.915 21.848 1.00 0.12 C ATOM 0 H VAL A 32 33.388 24.568 20.140 1.00 0.09 H new ATOM 0 HA VAL A 32 33.273 21.958 21.268 1.00 0.09 H new ATOM 0 HB VAL A 32 31.182 23.576 19.738 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.550 22.186 20.979 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.583 21.180 19.936 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.886 21.247 21.688 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.475 24.281 22.013 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.815 23.348 22.720 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.159 24.760 21.692 1.00 0.12 H new ATOM 544 N ILE A 33 32.805 22.047 17.992 1.00 0.09 N ATOM 545 CA ILE A 33 32.825 21.155 16.799 1.00 0.09 C ATOM 546 C ILE A 33 34.051 20.224 16.870 1.00 0.10 C ATOM 547 O ILE A 33 33.915 19.027 17.029 1.00 0.11 O ATOM 548 CB ILE A 33 32.860 22.025 15.535 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.541 22.801 15.441 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.019 21.145 14.294 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.612 23.841 14.318 1.00 0.09 C ATOM 0 H ILE A 33 32.662 23.037 17.793 1.00 0.09 H new ATOM 0 HA ILE A 33 31.931 20.532 16.773 1.00 0.09 H new ATOM 0 HB ILE A 33 33.703 22.713 15.588 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.718 22.111 15.255 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.334 23.295 16.390 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.043 21.773 13.403 1.00 0.10 H new ATOM 0 HG22 ILE A 33 33.949 20.581 14.365 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.179 20.453 14.228 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.668 24.383 14.264 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.422 24.541 14.521 1.00 0.09 H new ATOM 0 HD13 ILE A 33 31.797 23.339 13.368 1.00 0.09 H new ATOM 563 N LEU A 34 35.244 20.756 16.772 1.00 0.10 N ATOM 564 CA LEU A 34 36.465 19.891 16.855 1.00 0.11 C ATOM 565 C LEU A 34 36.336 18.949 18.068 1.00 0.13 C ATOM 566 O LEU A 34 36.723 17.800 18.012 1.00 0.20 O ATOM 567 CB LEU A 34 37.707 20.816 17.029 1.00 0.09 C ATOM 568 CG LEU A 34 38.596 20.971 15.740 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.838 20.699 14.428 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.157 22.400 15.697 1.00 0.10 C ATOM 0 H LEU A 34 35.427 21.751 16.638 1.00 0.10 H new ATOM 0 HA LEU A 34 36.574 19.291 15.951 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.367 21.804 17.340 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.326 20.423 17.836 1.00 0.09 H new ATOM 0 HG LEU A 34 39.386 20.223 15.810 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.516 20.825 13.584 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.453 19.679 14.435 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.008 21.400 14.335 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.776 22.521 14.808 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.333 23.113 15.666 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.761 22.581 16.586 1.00 0.10 H new ATOM 582 N LYS A 35 35.814 19.425 19.162 1.00 0.12 N ATOM 583 CA LYS A 35 35.692 18.548 20.362 1.00 0.15 C ATOM 584 C LYS A 35 34.929 17.267 20.008 1.00 0.21 C ATOM 585 O LYS A 35 35.257 16.194 20.475 1.00 0.29 O ATOM 586 CB LYS A 35 34.956 19.301 21.478 1.00 0.13 C ATOM 587 CG LYS A 35 35.224 18.621 22.836 1.00 0.17 C ATOM 588 CD LYS A 35 36.521 19.158 23.457 1.00 0.26 C ATOM 589 CE LYS A 35 36.693 18.567 24.858 1.00 0.80 C ATOM 590 NZ LYS A 35 35.511 18.919 25.694 1.00 1.49 N ATOM 0 H LYS A 35 35.468 20.377 19.279 1.00 0.12 H new ATOM 0 HA LYS A 35 36.690 18.277 20.706 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.289 20.339 21.509 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.885 19.316 21.274 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.388 18.802 23.512 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.297 17.542 22.701 1.00 0.17 H new ATOM 0 HD2 LYS A 35 37.374 18.894 22.831 1.00 0.26 H new ATOM 0 HD3 LYS A 35 36.489 20.246 23.510 1.00 0.26 H new ATOM 0 HE2 LYS A 35 36.799 17.484 24.797 1.00 0.80 H new ATOM 0 HE3 LYS A 35 37.604 18.951 25.317 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 35.777 18.893 26.699 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 35.183 19.875 25.447 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 34.747 18.235 25.520 1.00 1.49 H new ATOM 604 N ASP A 36 33.912 17.362 19.193 1.00 0.24 N ATOM 605 CA ASP A 36 33.135 16.141 18.824 1.00 0.32 C ATOM 606 C ASP A 36 33.777 15.448 17.623 1.00 0.26 C ATOM 607 O ASP A 36 33.796 14.237 17.533 1.00 0.36 O ATOM 608 CB ASP A 36 31.704 16.536 18.469 1.00 0.42 C ATOM 609 CG ASP A 36 31.067 17.260 19.655 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.303 18.449 19.795 1.00 1.42 O ATOM 611 OD2 ASP A 36 30.353 16.613 20.404 1.00 1.56 O ATOM 0 H ASP A 36 33.586 18.230 18.767 1.00 0.24 H new ATOM 0 HA ASP A 36 33.132 15.456 19.672 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.701 17.181 17.591 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.123 15.649 18.215 1.00 0.42 H new ATOM 616 N ALA A 37 34.291 16.202 16.694 1.00 0.18 N ATOM 617 CA ALA A 37 34.914 15.580 15.498 1.00 0.17 C ATOM 618 C ALA A 37 36.294 15.043 15.852 1.00 0.16 C ATOM 619 O ALA A 37 37.212 15.104 15.058 1.00 0.21 O ATOM 620 CB ALA A 37 35.062 16.642 14.416 1.00 0.19 C ATOM 0 H ALA A 37 34.306 17.222 16.712 1.00 0.18 H new ATOM 0 HA ALA A 37 34.287 14.761 15.146 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.519 16.199 13.531 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.080 17.038 14.158 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.694 17.451 14.784 1.00 0.19 H new ATOM 626 N ASP A 38 36.467 14.529 17.034 1.00 0.18 N ATOM 627 CA ASP A 38 37.809 14.014 17.407 1.00 0.20 C ATOM 628 C ASP A 38 38.828 15.119 17.126 1.00 0.18 C ATOM 629 O ASP A 38 40.012 14.885 16.991 1.00 0.22 O ATOM 630 CB ASP A 38 38.124 12.771 16.562 1.00 0.25 C ATOM 631 CG ASP A 38 39.153 11.895 17.284 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.891 11.517 18.414 1.00 1.82 O ATOM 633 OD2 ASP A 38 40.185 11.619 16.694 1.00 1.65 O ATOM 0 H ASP A 38 35.746 14.444 17.751 1.00 0.18 H new ATOM 0 HA ASP A 38 37.843 13.736 18.460 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.212 12.202 16.382 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.509 13.071 15.588 1.00 0.25 H new ATOM 638 N ALA A 39 38.343 16.324 17.021 1.00 0.14 N ATOM 639 CA ALA A 39 39.218 17.485 16.732 1.00 0.14 C ATOM 640 C ALA A 39 39.853 17.319 15.353 1.00 0.14 C ATOM 641 O ALA A 39 40.720 18.075 14.962 1.00 0.16 O ATOM 642 CB ALA A 39 40.303 17.604 17.796 1.00 0.16 C ATOM 0 H ALA A 39 37.355 16.554 17.126 1.00 0.14 H new ATOM 0 HA ALA A 39 38.618 18.395 16.743 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.939 18.460 17.573 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.841 17.741 18.774 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.906 16.696 17.804 1.00 0.16 H new ATOM 648 N ASN A 40 39.416 16.346 14.603 1.00 0.14 N ATOM 649 CA ASN A 40 39.983 16.149 13.242 1.00 0.16 C ATOM 650 C ASN A 40 39.376 17.215 12.325 1.00 0.14 C ATOM 651 O ASN A 40 38.238 17.114 11.912 1.00 0.15 O ATOM 652 CB ASN A 40 39.629 14.726 12.738 1.00 0.20 C ATOM 653 CG ASN A 40 40.883 13.843 12.699 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.088 13.017 13.566 1.00 1.77 O ATOM 655 ND2 ASN A 40 41.734 13.987 11.719 1.00 1.19 N ATOM 0 H ASN A 40 38.692 15.680 14.874 1.00 0.14 H new ATOM 0 HA ASN A 40 41.069 16.245 13.252 1.00 0.16 H new ATOM 0 HB2 ASN A 40 38.881 14.278 13.392 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.188 14.785 11.743 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.571 13.406 11.681 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.561 14.681 10.991 1.00 1.19 H new ATOM 662 N ILE A 41 40.118 18.243 12.017 1.00 0.13 N ATOM 663 CA ILE A 41 39.570 19.317 11.144 1.00 0.12 C ATOM 664 C ILE A 41 38.880 18.696 9.927 1.00 0.13 C ATOM 665 O ILE A 41 37.770 19.055 9.591 1.00 0.14 O ATOM 666 CB ILE A 41 40.703 20.261 10.713 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.087 21.119 11.934 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.232 21.148 9.538 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.238 22.070 11.595 1.00 0.16 C ATOM 0 H ILE A 41 41.078 18.385 12.332 1.00 0.13 H new ATOM 0 HA ILE A 41 38.830 19.896 11.697 1.00 0.12 H new ATOM 0 HB ILE A 41 41.570 19.696 10.371 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.222 21.693 12.266 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.377 20.471 12.761 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.041 21.814 9.238 1.00 0.15 H new ATOM 0 HG22 ILE A 41 39.951 20.516 8.695 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.372 21.740 9.851 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.490 22.664 12.473 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.109 21.492 11.286 1.00 0.16 H new ATOM 0 HD13 ILE A 41 41.936 22.732 10.784 1.00 0.16 H new ATOM 681 N GLU A 42 39.505 17.759 9.273 1.00 0.15 N ATOM 682 CA GLU A 42 38.843 17.129 8.102 1.00 0.16 C ATOM 683 C GLU A 42 37.477 16.612 8.546 1.00 0.16 C ATOM 684 O GLU A 42 36.455 16.960 7.989 1.00 0.19 O ATOM 685 CB GLU A 42 39.696 15.967 7.589 1.00 0.19 C ATOM 686 CG GLU A 42 40.944 16.517 6.898 1.00 0.26 C ATOM 687 CD GLU A 42 41.843 15.357 6.468 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.178 14.547 7.316 1.00 1.67 O ATOM 689 OE2 GLU A 42 42.181 15.298 5.297 1.00 1.80 O ATOM 0 H GLU A 42 40.436 17.406 9.496 1.00 0.15 H new ATOM 0 HA GLU A 42 38.726 17.857 7.299 1.00 0.16 H new ATOM 0 HB2 GLU A 42 39.982 15.318 8.417 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.120 15.359 6.892 1.00 0.19 H new ATOM 0 HG2 GLU A 42 40.660 17.112 6.030 1.00 0.26 H new ATOM 0 HG3 GLU A 42 41.485 17.179 7.574 1.00 0.26 H new ATOM 696 N GLU A 43 37.457 15.796 9.563 1.00 0.15 N ATOM 697 CA GLU A 43 36.165 15.257 10.069 1.00 0.16 C ATOM 698 C GLU A 43 35.220 16.419 10.388 1.00 0.15 C ATOM 699 O GLU A 43 34.051 16.384 10.060 1.00 0.21 O ATOM 700 CB GLU A 43 36.420 14.434 11.334 1.00 0.18 C ATOM 701 CG GLU A 43 35.113 13.786 11.795 1.00 0.33 C ATOM 702 CD GLU A 43 35.371 12.954 13.052 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.512 12.576 13.264 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.424 12.708 13.781 1.00 1.95 O ATOM 0 H GLU A 43 38.285 15.478 10.067 1.00 0.15 H new ATOM 0 HA GLU A 43 35.709 14.620 9.311 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.169 13.667 11.136 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.819 15.073 12.122 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.367 14.554 12.001 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.710 13.154 11.004 1.00 0.33 H new ATOM 711 N ALA A 44 35.714 17.453 11.017 1.00 0.13 N ATOM 712 CA ALA A 44 34.836 18.613 11.344 1.00 0.14 C ATOM 713 C ALA A 44 34.516 19.383 10.057 1.00 0.16 C ATOM 714 O ALA A 44 33.378 19.495 9.652 1.00 0.20 O ATOM 715 CB ALA A 44 35.550 19.540 12.335 1.00 0.14 C ATOM 0 H ALA A 44 36.685 17.544 11.317 1.00 0.13 H new ATOM 0 HA ALA A 44 33.911 18.253 11.795 1.00 0.14 H new ATOM 0 HB1 ALA A 44 34.905 20.386 12.571 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.777 18.990 13.249 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.477 19.903 11.891 1.00 0.14 H new ATOM 721 N SER A 45 35.516 19.915 9.414 1.00 0.16 N ATOM 722 CA SER A 45 35.287 20.686 8.154 1.00 0.21 C ATOM 723 C SER A 45 34.271 19.960 7.261 1.00 0.20 C ATOM 724 O SER A 45 33.639 20.559 6.413 1.00 0.32 O ATOM 725 CB SER A 45 36.613 20.824 7.399 1.00 0.26 C ATOM 726 OG SER A 45 36.769 19.719 6.518 1.00 1.01 O ATOM 0 H SER A 45 36.491 19.850 9.707 1.00 0.16 H new ATOM 0 HA SER A 45 34.896 21.671 8.408 1.00 0.21 H new ATOM 0 HB2 SER A 45 36.629 21.757 6.836 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.444 20.862 8.104 1.00 0.26 H new ATOM 0 HG SER A 45 36.696 18.884 7.025 1.00 1.01 H new ATOM 732 N ARG A 46 34.120 18.674 7.433 1.00 0.18 N ATOM 733 CA ARG A 46 33.159 17.913 6.580 1.00 0.20 C ATOM 734 C ARG A 46 31.720 18.088 7.091 1.00 0.16 C ATOM 735 O ARG A 46 30.779 18.042 6.323 1.00 0.22 O ATOM 736 CB ARG A 46 33.546 16.428 6.590 1.00 0.23 C ATOM 737 CG ARG A 46 34.767 16.211 5.681 1.00 0.85 C ATOM 738 CD ARG A 46 35.446 14.881 6.023 1.00 1.14 C ATOM 739 NE ARG A 46 34.452 13.775 5.937 1.00 1.59 N ATOM 740 CZ ARG A 46 34.856 12.535 5.887 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.132 12.261 5.906 1.00 2.66 N ATOM 742 NH2 ARG A 46 33.983 11.568 5.816 1.00 2.87 N ATOM 0 H ARG A 46 34.620 18.117 8.126 1.00 0.18 H new ATOM 0 HA ARG A 46 33.204 18.298 5.561 1.00 0.20 H new ATOM 0 HB2 ARG A 46 33.774 16.107 7.606 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.709 15.821 6.245 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.457 16.212 4.636 1.00 0.85 H new ATOM 0 HG3 ARG A 46 35.473 17.032 5.805 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.272 14.696 5.336 1.00 1.14 H new ATOM 0 HD3 ARG A 46 35.870 14.925 7.026 1.00 1.14 H new ATOM 0 HE ARG A 46 33.454 13.987 5.917 1.00 1.59 H new ATOM 0 HH11 ARG A 46 36.815 13.017 5.960 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.446 11.291 5.867 1.00 2.66 H new ATOM 0 HH21 ARG A 46 32.986 11.781 5.800 1.00 2.87 H new ATOM 0 HH22 ARG A 46 34.298 10.599 5.777 1.00 2.87 H new ATOM 756 N ARG A 47 31.528 18.298 8.370 1.00 0.13 N ATOM 757 CA ARG A 47 30.132 18.483 8.893 1.00 0.13 C ATOM 758 C ARG A 47 29.741 19.960 8.744 1.00 0.11 C ATOM 759 O ARG A 47 28.619 20.279 8.403 1.00 0.13 O ATOM 760 CB ARG A 47 30.023 18.028 10.372 1.00 0.18 C ATOM 761 CG ARG A 47 31.367 18.180 11.090 1.00 0.49 C ATOM 762 CD ARG A 47 31.268 17.651 12.534 1.00 0.62 C ATOM 763 NE ARG A 47 31.692 16.223 12.576 1.00 0.81 N ATOM 764 CZ ARG A 47 31.983 15.667 13.722 1.00 1.20 C ATOM 765 NH1 ARG A 47 31.911 16.365 14.822 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.347 14.415 13.770 1.00 1.63 N ATOM 0 H ARG A 47 32.267 18.350 9.071 1.00 0.13 H new ATOM 0 HA ARG A 47 29.446 17.863 8.316 1.00 0.13 H new ATOM 0 HB2 ARG A 47 29.264 18.619 10.884 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.699 16.988 10.414 1.00 0.18 H new ATOM 0 HG2 ARG A 47 32.140 17.634 10.548 1.00 0.49 H new ATOM 0 HG3 ARG A 47 31.665 19.229 11.100 1.00 0.49 H new ATOM 0 HD2 ARG A 47 31.898 18.247 13.194 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.245 17.747 12.898 1.00 0.62 H new ATOM 0 HE ARG A 47 31.755 15.682 11.714 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.628 17.344 14.787 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.138 15.931 15.717 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.405 13.867 12.911 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.574 13.984 14.666 1.00 1.63 H new ATOM 780 N ILE A 48 30.660 20.861 8.967 1.00 0.10 N ATOM 781 CA ILE A 48 30.335 22.308 8.803 1.00 0.10 C ATOM 782 C ILE A 48 29.875 22.536 7.366 1.00 0.11 C ATOM 783 O ILE A 48 28.809 23.063 7.118 1.00 0.13 O ATOM 784 CB ILE A 48 31.579 23.149 9.098 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.094 22.799 10.498 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.216 24.636 9.045 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.294 23.681 10.848 1.00 0.10 C ATOM 0 H ILE A 48 31.618 20.659 9.254 1.00 0.10 H new ATOM 0 HA ILE A 48 29.545 22.601 9.495 1.00 0.10 H new ATOM 0 HB ILE A 48 32.350 22.941 8.356 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.301 22.941 11.232 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.381 21.748 10.537 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.102 25.235 9.255 1.00 0.11 H new ATOM 0 HG22 ILE A 48 30.838 24.883 8.053 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.449 24.850 9.789 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.654 23.426 11.845 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.090 23.517 10.121 1.00 0.10 H new ATOM 0 HD13 ILE A 48 32.994 24.729 10.828 1.00 0.10 H new ATOM 799 N GLU A 49 30.666 22.123 6.419 1.00 0.11 N ATOM 800 CA GLU A 49 30.273 22.292 4.991 1.00 0.12 C ATOM 801 C GLU A 49 28.859 21.760 4.807 1.00 0.12 C ATOM 802 O GLU A 49 27.949 22.482 4.451 1.00 0.13 O ATOM 803 CB GLU A 49 31.216 21.472 4.119 1.00 0.13 C ATOM 804 CG GLU A 49 32.558 22.200 3.962 1.00 0.15 C ATOM 805 CD GLU A 49 32.446 23.267 2.868 1.00 0.17 C ATOM 806 OE1 GLU A 49 31.755 24.247 3.091 1.00 1.08 O ATOM 807 OE2 GLU A 49 33.055 23.084 1.827 1.00 1.09 O ATOM 0 H GLU A 49 31.570 21.675 6.570 1.00 0.11 H new ATOM 0 HA GLU A 49 30.322 23.345 4.713 1.00 0.12 H new ATOM 0 HB2 GLU A 49 31.376 20.491 4.566 1.00 0.13 H new ATOM 0 HB3 GLU A 49 30.767 21.307 3.140 1.00 0.13 H new ATOM 0 HG2 GLU A 49 32.843 22.663 4.906 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.342 21.486 3.708 1.00 0.15 H new ATOM 814 N GLU A 50 28.663 20.497 5.070 1.00 0.12 N ATOM 815 CA GLU A 50 27.303 19.922 4.935 1.00 0.13 C ATOM 816 C GLU A 50 26.367 20.783 5.769 1.00 0.12 C ATOM 817 O GLU A 50 25.178 20.830 5.551 1.00 0.12 O ATOM 818 CB GLU A 50 27.287 18.480 5.451 1.00 0.14 C ATOM 819 CG GLU A 50 25.989 17.797 5.014 1.00 0.17 C ATOM 820 CD GLU A 50 26.020 17.551 3.504 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.099 17.606 2.936 1.00 1.74 O ATOM 822 OE2 GLU A 50 24.964 17.313 2.941 1.00 2.03 O ATOM 0 H GLU A 50 29.386 19.843 5.371 1.00 0.12 H new ATOM 0 HA GLU A 50 26.991 19.909 3.891 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.147 17.934 5.063 1.00 0.14 H new ATOM 0 HB3 GLU A 50 27.368 18.470 6.538 1.00 0.14 H new ATOM 0 HG2 GLU A 50 25.867 16.852 5.544 1.00 0.17 H new ATOM 0 HG3 GLU A 50 25.133 18.420 5.273 1.00 0.17 H new ATOM 829 N GLY A 51 26.921 21.494 6.711 1.00 0.11 N ATOM 830 CA GLY A 51 26.080 22.392 7.557 1.00 0.10 C ATOM 831 C GLY A 51 25.710 23.616 6.723 1.00 0.10 C ATOM 832 O GLY A 51 24.553 23.890 6.474 1.00 0.11 O ATOM 0 H GLY A 51 27.917 21.494 6.933 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.182 21.871 7.889 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.624 22.692 8.453 1.00 0.10 H new ATOM 836 N GLN A 52 26.698 24.334 6.265 1.00 0.10 N ATOM 837 CA GLN A 52 26.439 25.532 5.409 1.00 0.12 C ATOM 838 C GLN A 52 25.433 25.151 4.334 1.00 0.12 C ATOM 839 O GLN A 52 24.504 25.877 4.039 1.00 0.13 O ATOM 840 CB GLN A 52 27.754 25.963 4.761 1.00 0.14 C ATOM 841 CG GLN A 52 28.779 26.254 5.862 1.00 0.19 C ATOM 842 CD GLN A 52 28.412 27.559 6.567 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.995 27.864 7.693 1.00 0.95 O flip ATOM 844 NE2 GLN A 52 27.586 28.311 6.089 1.00 0.39 N flip ATOM 0 H GLN A 52 27.683 24.142 6.447 1.00 0.10 H new ATOM 0 HA GLN A 52 26.042 26.354 6.005 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.123 25.179 4.100 1.00 0.14 H new ATOM 0 HB3 GLN A 52 27.599 26.850 4.147 1.00 0.14 H new ATOM 0 HG2 GLN A 52 28.800 25.434 6.580 1.00 0.19 H new ATOM 0 HG3 GLN A 52 29.778 26.328 5.433 1.00 0.19 H new ATOM 0 HE21 GLN A 52 27.129 28.074 5.208 1.00 0.39 H new ATOM 0 HE22 GLN A 52 27.349 29.180 6.568 1.00 0.39 H new ATOM 853 N TYR A 53 25.611 24.002 3.760 1.00 0.12 N ATOM 854 CA TYR A 53 24.663 23.540 2.710 1.00 0.13 C ATOM 855 C TYR A 53 23.267 23.372 3.334 1.00 0.13 C ATOM 856 O TYR A 53 22.278 23.796 2.774 1.00 0.15 O ATOM 857 CB TYR A 53 25.160 22.204 2.122 1.00 0.14 C ATOM 858 CG TYR A 53 24.024 21.472 1.436 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.113 20.746 2.205 1.00 0.16 C ATOM 860 CD2 TYR A 53 23.878 21.525 0.046 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.054 20.071 1.598 1.00 0.18 C ATOM 862 CE2 TYR A 53 22.816 20.849 -0.570 1.00 0.19 C ATOM 863 CZ TYR A 53 21.902 20.122 0.207 1.00 0.19 C ATOM 864 OH TYR A 53 20.857 19.455 -0.398 1.00 0.22 O ATOM 0 H TYR A 53 26.373 23.358 3.971 1.00 0.12 H new ATOM 0 HA TYR A 53 24.606 24.273 1.905 1.00 0.13 H new ATOM 0 HB2 TYR A 53 25.964 22.390 1.410 1.00 0.14 H new ATOM 0 HB3 TYR A 53 25.575 21.582 2.915 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.229 20.707 3.278 1.00 0.16 H new ATOM 0 HD2 TYR A 53 24.582 22.086 -0.551 1.00 0.17 H new ATOM 0 HE1 TYR A 53 21.353 19.511 2.199 1.00 0.18 H new ATOM 0 HE2 TYR A 53 22.701 20.888 -1.643 1.00 0.19 H new ATOM 0 HH TYR A 53 20.897 19.595 -1.367 1.00 0.22 H new ATOM 874 N VAL A 54 23.175 22.752 4.483 1.00 0.15 N ATOM 875 CA VAL A 54 21.832 22.563 5.113 1.00 0.14 C ATOM 876 C VAL A 54 21.144 23.921 5.249 1.00 0.14 C ATOM 877 O VAL A 54 20.128 24.183 4.636 1.00 0.15 O ATOM 878 CB VAL A 54 21.969 21.934 6.514 1.00 0.13 C ATOM 879 CG1 VAL A 54 20.573 21.843 7.143 1.00 0.14 C ATOM 880 CG2 VAL A 54 22.598 20.512 6.438 1.00 0.14 C ATOM 0 H VAL A 54 23.962 22.372 5.008 1.00 0.15 H new ATOM 0 HA VAL A 54 21.244 21.898 4.481 1.00 0.14 H new ATOM 0 HB VAL A 54 22.627 22.558 7.119 1.00 0.13 H new ATOM 0 HG11 VAL A 54 20.649 21.400 8.136 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.144 22.842 7.223 1.00 0.14 H new ATOM 0 HG13 VAL A 54 19.932 21.222 6.517 1.00 0.14 H new ATOM 0 HG21 VAL A 54 22.681 20.097 7.442 1.00 0.14 H new ATOM 0 HG22 VAL A 54 21.965 19.866 5.829 1.00 0.14 H new ATOM 0 HG23 VAL A 54 23.589 20.576 5.989 1.00 0.14 H new ATOM 890 N VAL A 55 21.692 24.783 6.054 1.00 0.15 N ATOM 891 CA VAL A 55 21.082 26.126 6.247 1.00 0.16 C ATOM 892 C VAL A 55 20.868 26.787 4.884 1.00 0.19 C ATOM 893 O VAL A 55 19.771 27.175 4.536 1.00 0.22 O ATOM 894 CB VAL A 55 22.028 26.981 7.096 1.00 0.19 C ATOM 895 CG1 VAL A 55 21.340 28.293 7.484 1.00 0.29 C ATOM 896 CG2 VAL A 55 22.407 26.206 8.363 1.00 0.13 C ATOM 0 H VAL A 55 22.543 24.615 6.591 1.00 0.15 H new ATOM 0 HA VAL A 55 20.121 26.031 6.752 1.00 0.16 H new ATOM 0 HB VAL A 55 22.925 27.208 6.520 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.019 28.895 8.088 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.071 28.843 6.582 1.00 0.29 H new ATOM 0 HG13 VAL A 55 20.440 28.076 8.059 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.080 26.810 8.971 1.00 0.13 H new ATOM 0 HG22 VAL A 55 21.507 25.980 8.934 1.00 0.13 H new ATOM 0 HG23 VAL A 55 22.904 25.276 8.086 1.00 0.13 H new ATOM 906 N ASN A 56 21.910 26.919 4.113 1.00 0.22 N ATOM 907 CA ASN A 56 21.771 27.559 2.774 1.00 0.27 C ATOM 908 C ASN A 56 20.733 26.800 1.943 1.00 0.26 C ATOM 909 O ASN A 56 19.781 27.371 1.449 1.00 0.33 O ATOM 910 CB ASN A 56 23.119 27.531 2.050 1.00 0.35 C ATOM 911 CG ASN A 56 23.013 28.323 0.745 1.00 0.71 C ATOM 912 OD1 ASN A 56 21.962 28.836 0.416 1.00 1.56 O ATOM 913 ND2 ASN A 56 24.065 28.446 -0.017 1.00 0.90 N ATOM 0 H ASN A 56 22.853 26.612 4.351 1.00 0.22 H new ATOM 0 HA ASN A 56 21.447 28.592 2.903 1.00 0.27 H new ATOM 0 HB2 ASN A 56 23.894 27.959 2.686 1.00 0.35 H new ATOM 0 HB3 ASN A 56 23.410 26.502 1.841 1.00 0.35 H new ATOM 0 HD21 ASN A 56 24.005 28.973 -0.888 1.00 0.90 H new ATOM 0 HD22 ASN A 56 24.948 28.016 0.259 1.00 0.90 H new ATOM 920 N GLU A 57 20.910 25.518 1.781 1.00 0.24 N ATOM 921 CA GLU A 57 19.933 24.727 0.979 1.00 0.26 C ATOM 922 C GLU A 57 18.542 24.847 1.603 1.00 0.25 C ATOM 923 O GLU A 57 17.543 24.870 0.914 1.00 0.32 O ATOM 924 CB GLU A 57 20.357 23.256 0.959 1.00 0.29 C ATOM 925 CG GLU A 57 19.503 22.490 -0.056 1.00 0.50 C ATOM 926 CD GLU A 57 19.915 22.888 -1.474 1.00 1.58 C ATOM 927 OE1 GLU A 57 20.994 23.437 -1.625 1.00 2.37 O ATOM 928 OE2 GLU A 57 19.144 22.638 -2.385 1.00 2.31 O ATOM 0 H GLU A 57 21.688 24.984 2.168 1.00 0.24 H new ATOM 0 HA GLU A 57 19.908 25.112 -0.041 1.00 0.26 H new ATOM 0 HB2 GLU A 57 21.412 23.174 0.697 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.240 22.820 1.951 1.00 0.29 H new ATOM 0 HG2 GLU A 57 19.630 21.416 0.083 1.00 0.50 H new ATOM 0 HG3 GLU A 57 18.447 22.709 0.102 1.00 0.50 H new ATOM 935 N TYR A 58 18.467 24.919 2.903 1.00 0.22 N ATOM 936 CA TYR A 58 17.139 25.035 3.567 1.00 0.26 C ATOM 937 C TYR A 58 16.659 26.487 3.495 1.00 0.32 C ATOM 938 O TYR A 58 15.495 26.778 3.685 1.00 0.46 O ATOM 939 CB TYR A 58 17.262 24.595 5.029 1.00 0.33 C ATOM 940 CG TYR A 58 15.980 24.907 5.765 1.00 0.77 C ATOM 941 CD1 TYR A 58 14.865 24.071 5.622 1.00 0.82 C ATOM 942 CD2 TYR A 58 15.906 26.036 6.586 1.00 1.98 C ATOM 943 CE1 TYR A 58 13.677 24.368 6.301 1.00 0.99 C ATOM 944 CE2 TYR A 58 14.719 26.333 7.266 1.00 2.44 C ATOM 945 CZ TYR A 58 13.604 25.499 7.123 1.00 1.71 C ATOM 946 OH TYR A 58 12.433 25.791 7.792 1.00 2.18 O ATOM 0 H TYR A 58 19.268 24.903 3.534 1.00 0.22 H new ATOM 0 HA TYR A 58 16.416 24.395 3.061 1.00 0.26 H new ATOM 0 HB2 TYR A 58 17.471 23.527 5.081 1.00 0.33 H new ATOM 0 HB3 TYR A 58 18.099 25.107 5.504 1.00 0.33 H new ATOM 0 HD1 TYR A 58 14.922 23.198 4.989 1.00 0.82 H new ATOM 0 HD2 TYR A 58 16.766 26.680 6.696 1.00 1.98 H new ATOM 0 HE1 TYR A 58 12.817 23.724 6.191 1.00 0.99 H new ATOM 0 HE2 TYR A 58 14.664 27.205 7.901 1.00 2.44 H new ATOM 0 HH TYR A 58 12.060 26.629 7.448 1.00 2.18 H new ATOM 956 N SER A 59 17.549 27.398 3.227 1.00 0.40 N ATOM 957 CA SER A 59 17.153 28.830 3.146 1.00 0.52 C ATOM 958 C SER A 59 16.466 29.105 1.804 1.00 0.55 C ATOM 959 O SER A 59 15.460 29.783 1.742 1.00 0.70 O ATOM 960 CB SER A 59 18.402 29.704 3.273 1.00 0.61 C ATOM 961 OG SER A 59 18.812 29.740 4.633 1.00 1.22 O ATOM 0 H SER A 59 18.538 27.212 3.060 1.00 0.40 H new ATOM 0 HA SER A 59 16.459 29.062 3.954 1.00 0.52 H new ATOM 0 HB2 SER A 59 19.203 29.307 2.650 1.00 0.61 H new ATOM 0 HB3 SER A 59 18.192 30.713 2.917 1.00 0.61 H new ATOM 0 HG SER A 59 19.217 28.881 4.875 1.00 1.22 H new ATOM 967 N ARG A 60 17.000 28.589 0.730 1.00 0.55 N ATOM 968 CA ARG A 60 16.372 28.831 -0.601 1.00 0.68 C ATOM 969 C ARG A 60 14.898 28.414 -0.554 1.00 0.68 C ATOM 970 O ARG A 60 14.082 28.897 -1.314 1.00 0.81 O ATOM 971 CB ARG A 60 17.126 28.027 -1.677 1.00 0.80 C ATOM 972 CG ARG A 60 16.719 26.532 -1.638 1.00 1.08 C ATOM 973 CD ARG A 60 15.520 26.254 -2.579 1.00 1.52 C ATOM 974 NE ARG A 60 14.531 25.356 -1.897 1.00 2.16 N ATOM 975 CZ ARG A 60 14.914 24.276 -1.265 1.00 2.72 C ATOM 976 NH1 ARG A 60 16.157 23.886 -1.312 1.00 2.84 N ATOM 977 NH2 ARG A 60 14.038 23.562 -0.614 1.00 3.69 N ATOM 0 H ARG A 60 17.841 28.012 0.716 1.00 0.55 H new ATOM 0 HA ARG A 60 16.429 29.891 -0.850 1.00 0.68 H new ATOM 0 HB2 ARG A 60 16.912 28.441 -2.662 1.00 0.80 H new ATOM 0 HB3 ARG A 60 18.201 28.120 -1.519 1.00 0.80 H new ATOM 0 HG2 ARG A 60 17.567 25.914 -1.932 1.00 1.08 H new ATOM 0 HG3 ARG A 60 16.458 26.250 -0.618 1.00 1.08 H new ATOM 0 HD2 ARG A 60 15.040 27.192 -2.857 1.00 1.52 H new ATOM 0 HD3 ARG A 60 15.870 25.789 -3.501 1.00 1.52 H new ATOM 0 HE ARG A 60 13.539 25.592 -1.926 1.00 2.16 H new ATOM 0 HH11 ARG A 60 16.841 24.424 -1.845 1.00 2.84 H new ATOM 0 HH12 ARG A 60 16.446 23.043 -0.816 1.00 2.84 H new ATOM 0 HH21 ARG A 60 13.058 23.846 -0.599 1.00 3.69 H new ATOM 0 HH22 ARG A 60 14.332 22.720 -0.120 1.00 3.69 H new ATOM 991 N GLN A 61 14.552 27.521 0.333 1.00 0.65 N ATOM 992 CA GLN A 61 13.133 27.076 0.427 1.00 0.75 C ATOM 993 C GLN A 61 12.243 28.289 0.704 1.00 0.82 C ATOM 994 O GLN A 61 11.136 28.384 0.211 1.00 0.98 O ATOM 995 CB GLN A 61 12.992 26.063 1.568 1.00 0.78 C ATOM 996 CG GLN A 61 11.579 25.470 1.567 1.00 1.35 C ATOM 997 CD GLN A 61 11.390 24.595 0.327 1.00 1.81 C ATOM 998 OE1 GLN A 61 11.574 23.308 0.421 1.00 2.46 O flip ATOM 999 NE2 GLN A 61 11.069 25.087 -0.736 1.00 2.39 N flip ATOM 0 H GLN A 61 15.190 27.081 0.996 1.00 0.65 H new ATOM 0 HA GLN A 61 12.831 26.608 -0.510 1.00 0.75 H new ATOM 0 HB2 GLN A 61 13.729 25.268 1.454 1.00 0.78 H new ATOM 0 HB3 GLN A 61 13.192 26.548 2.523 1.00 0.78 H new ATOM 0 HG2 GLN A 61 11.421 24.879 2.469 1.00 1.35 H new ATOM 0 HG3 GLN A 61 10.838 26.270 1.576 1.00 1.35 H new ATOM 0 HE21 GLN A 61 10.925 26.094 -0.809 1.00 2.39 H new ATOM 0 HE22 GLN A 61 10.943 24.493 -1.556 1.00 2.39 H new ATOM 1008 N HIS A 62 12.718 29.217 1.490 1.00 0.86 N ATOM 1009 CA HIS A 62 11.903 30.427 1.801 1.00 1.04 C ATOM 1010 C HIS A 62 12.126 31.485 0.718 1.00 1.08 C ATOM 1011 O HIS A 62 11.298 32.346 0.498 1.00 1.27 O ATOM 1012 CB HIS A 62 12.331 30.990 3.158 1.00 1.15 C ATOM 1013 CG HIS A 62 12.010 29.992 4.236 1.00 1.32 C ATOM 1014 ND1 HIS A 62 10.811 29.290 4.262 1.00 1.81 N ATOM 1015 CD2 HIS A 62 12.719 29.565 5.332 1.00 1.57 C ATOM 1016 CE1 HIS A 62 10.836 28.485 5.341 1.00 1.95 C ATOM 1017 NE2 HIS A 62 11.974 28.616 6.022 1.00 1.81 N ATOM 0 H HIS A 62 13.637 29.189 1.931 1.00 0.86 H new ATOM 0 HA HIS A 62 10.847 30.157 1.833 1.00 1.04 H new ATOM 0 HB2 HIS A 62 13.399 31.206 3.154 1.00 1.15 H new ATOM 0 HB3 HIS A 62 11.816 31.931 3.353 1.00 1.15 H new ATOM 0 HD1 HIS A 62 10.051 29.370 3.587 1.00 1.81 H new ATOM 0 HD2 HIS A 62 13.702 29.912 5.614 1.00 1.57 H new ATOM 0 HE1 HIS A 62 10.034 27.817 5.620 1.00 1.95 H new ATOM 1025 N ASN A 63 13.240 31.428 0.041 1.00 1.07 N ATOM 1026 CA ASN A 63 13.516 32.431 -1.025 1.00 1.28 C ATOM 1027 C ASN A 63 13.297 33.839 -0.469 1.00 1.39 C ATOM 1028 O ASN A 63 12.231 34.408 -0.596 1.00 1.84 O ATOM 1029 CB ASN A 63 12.571 32.196 -2.206 1.00 1.47 C ATOM 1030 CG ASN A 63 12.776 33.296 -3.249 1.00 1.99 C ATOM 1031 OD1 ASN A 63 13.430 33.026 -4.345 1.00 2.62 O flip ATOM 1032 ND2 ASN A 63 12.336 34.414 -3.064 1.00 2.68 N flip ATOM 0 H ASN A 63 13.971 30.730 0.180 1.00 1.07 H new ATOM 0 HA ASN A 63 14.548 32.329 -1.361 1.00 1.28 H new ATOM 0 HB2 ASN A 63 12.762 31.219 -2.650 1.00 1.47 H new ATOM 0 HB3 ASN A 63 11.536 32.193 -1.863 1.00 1.47 H new ATOM 0 HD21 ASN A 63 11.825 34.625 -2.207 1.00 2.68 H new ATOM 0 HD22 ASN A 63 12.478 35.141 -3.766 1.00 2.68 H new ATOM 1039 N LEU A 64 14.298 34.405 0.146 1.00 1.34 N ATOM 1040 CA LEU A 64 14.148 35.776 0.710 1.00 1.51 C ATOM 1041 C LEU A 64 14.189 36.798 -0.429 1.00 1.81 C ATOM 1042 O LEU A 64 13.538 36.636 -1.443 1.00 2.42 O ATOM 1043 CB LEU A 64 15.292 36.056 1.690 1.00 1.61 C ATOM 1044 CG LEU A 64 15.463 34.869 2.645 1.00 1.76 C ATOM 1045 CD1 LEU A 64 16.649 35.133 3.576 1.00 1.87 C ATOM 1046 CD2 LEU A 64 14.191 34.691 3.482 1.00 2.54 C ATOM 0 H LEU A 64 15.214 33.977 0.283 1.00 1.34 H new ATOM 0 HA LEU A 64 13.196 35.852 1.236 1.00 1.51 H new ATOM 0 HB2 LEU A 64 16.218 36.229 1.142 1.00 1.61 H new ATOM 0 HB3 LEU A 64 15.083 36.963 2.257 1.00 1.61 H new ATOM 0 HG LEU A 64 15.644 33.964 2.066 1.00 1.76 H new ATOM 0 HD11 LEU A 64 16.772 34.290 4.256 1.00 1.87 H new ATOM 0 HD12 LEU A 64 17.556 35.257 2.984 1.00 1.87 H new ATOM 0 HD13 LEU A 64 16.465 36.040 4.152 1.00 1.87 H new ATOM 0 HD21 LEU A 64 14.316 33.846 4.159 1.00 2.54 H new ATOM 0 HD22 LEU A 64 14.007 35.596 4.061 1.00 2.54 H new ATOM 0 HD23 LEU A 64 13.344 34.504 2.822 1.00 2.54 H new ATOM 1058 N ASN A 65 14.947 37.849 -0.274 1.00 2.02 N ATOM 1059 CA ASN A 65 15.024 38.875 -1.353 1.00 2.49 C ATOM 1060 C ASN A 65 16.292 39.712 -1.174 1.00 3.04 C ATOM 1061 O ASN A 65 16.257 40.803 -0.640 1.00 3.62 O ATOM 1062 CB ASN A 65 13.797 39.787 -1.280 1.00 3.04 C ATOM 1063 CG ASN A 65 13.929 40.904 -2.318 1.00 3.59 C ATOM 1064 OD1 ASN A 65 13.711 40.686 -3.493 1.00 4.09 O ATOM 1065 ND2 ASN A 65 14.279 42.100 -1.930 1.00 4.13 N ATOM 0 H ASN A 65 15.515 38.042 0.551 1.00 2.02 H new ATOM 0 HA ASN A 65 15.051 38.378 -2.323 1.00 2.49 H new ATOM 0 HB2 ASN A 65 12.891 39.210 -1.464 1.00 3.04 H new ATOM 0 HB3 ASN A 65 13.706 40.213 -0.281 1.00 3.04 H new ATOM 0 HD21 ASN A 65 14.369 42.852 -2.613 1.00 4.13 H new ATOM 0 HD22 ASN A 65 14.462 42.283 -0.943 1.00 4.13 H new ATOM 1072 N ILE A 66 17.411 39.209 -1.618 1.00 0.00 N ATOM 1073 CA ILE A 66 18.682 39.975 -1.478 1.00 0.00 C ATOM 1074 C ILE A 66 18.780 40.997 -2.616 1.00 0.00 C ATOM 1075 O ILE A 66 19.623 41.871 -2.607 1.00 0.00 O ATOM 1076 CB ILE A 66 19.870 39.006 -1.543 1.00 0.00 C ATOM 1077 CG1 ILE A 66 19.915 38.160 -0.263 1.00 0.00 C ATOM 1078 CG2 ILE A 66 21.179 39.793 -1.671 1.00 0.00 C ATOM 1079 CD1 ILE A 66 18.636 37.323 -0.132 1.00 0.00 C ATOM 0 H ILE A 66 17.500 38.300 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 66 18.698 40.496 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 66 19.751 38.356 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 66 20.786 37.505 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 66 20.024 38.809 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 66 22.018 39.099 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 66 21.155 40.393 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.296 40.447 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 66 18.682 36.728 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 66 17.771 37.985 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 66 18.545 36.660 -0.993 1.00 0.00 H new ATOM 1091 N TYR A 67 17.921 40.894 -3.594 1.00 0.00 N ATOM 1092 CA TYR A 67 17.965 41.859 -4.729 1.00 0.00 C ATOM 1093 C TYR A 67 16.622 41.849 -5.461 1.00 0.00 C ATOM 1094 O TYR A 67 15.897 40.874 -5.435 1.00 0.00 O ATOM 1095 CB TYR A 67 19.075 41.457 -5.701 1.00 0.00 C ATOM 1096 CG TYR A 67 18.758 40.107 -6.299 1.00 0.00 C ATOM 1097 CD1 TYR A 67 19.168 38.939 -5.646 1.00 0.00 C ATOM 1098 CD2 TYR A 67 18.054 40.025 -7.506 1.00 0.00 C ATOM 1099 CE1 TYR A 67 18.874 37.687 -6.202 1.00 0.00 C ATOM 1100 CE2 TYR A 67 17.760 38.773 -8.061 1.00 0.00 C ATOM 1101 CZ TYR A 67 18.170 37.604 -7.409 1.00 0.00 C ATOM 1102 OH TYR A 67 17.881 36.371 -7.957 1.00 0.00 O ATOM 0 H TYR A 67 17.191 40.184 -3.656 1.00 0.00 H new ATOM 0 HA TYR A 67 18.163 42.859 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 67 19.169 42.203 -6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 67 20.032 41.420 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 67 19.711 39.003 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 67 17.738 40.927 -8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 67 19.191 36.785 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.217 38.709 -8.992 1.00 0.00 H new ATOM 0 HH TYR A 67 17.387 36.493 -8.794 1.00 0.00 H new ATOM 1112 N ASP A 68 16.284 42.926 -6.117 1.00 0.00 N ATOM 1113 CA ASP A 68 14.990 42.976 -6.852 1.00 0.00 C ATOM 1114 C ASP A 68 15.140 42.258 -8.194 1.00 0.00 C ATOM 1115 O ASP A 68 14.835 41.089 -8.322 1.00 0.00 O ATOM 1116 CB ASP A 68 14.596 44.435 -7.096 1.00 0.00 C ATOM 1117 CG ASP A 68 14.301 45.115 -5.757 1.00 0.00 C ATOM 1118 OD1 ASP A 68 13.404 44.658 -5.068 1.00 0.00 O ATOM 1119 OD2 ASP A 68 14.977 46.081 -5.444 1.00 0.00 O ATOM 0 H ASP A 68 16.849 43.773 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 68 14.217 42.486 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.401 44.959 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.719 44.483 -7.741 1.00 0.00 H new ATOM 1124 N GLY A 69 15.609 42.951 -9.197 1.00 0.00 N ATOM 1125 CA GLY A 69 15.782 42.314 -10.537 1.00 0.00 C ATOM 1126 C GLY A 69 15.608 43.371 -11.627 1.00 0.00 C ATOM 1127 O GLY A 69 14.526 43.578 -12.139 1.00 0.00 O ATOM 0 H GLY A 69 15.881 43.933 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.770 41.859 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.052 41.515 -10.669 1.00 0.00 H new ATOM 1131 N GLY A 70 16.666 44.044 -11.987 1.00 0.00 N ATOM 1132 CA GLY A 70 16.561 45.088 -13.045 1.00 0.00 C ATOM 1133 C GLY A 70 17.954 45.409 -13.588 1.00 0.00 C ATOM 1134 O GLY A 70 18.243 46.529 -13.960 1.00 0.00 O ATOM 0 H GLY A 70 17.599 43.916 -11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.917 44.739 -13.852 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.102 45.989 -12.637 1.00 0.00 H new ATOM 1138 N GLU A 71 18.821 44.434 -13.637 1.00 0.00 N ATOM 1139 CA GLU A 71 20.195 44.685 -14.156 1.00 0.00 C ATOM 1140 C GLU A 71 20.783 45.917 -13.467 1.00 0.00 C ATOM 1141 O GLU A 71 20.808 46.997 -14.023 1.00 0.00 O ATOM 1142 CB GLU A 71 20.133 44.927 -15.664 1.00 0.00 C ATOM 1143 CG GLU A 71 21.545 44.865 -16.249 1.00 0.00 C ATOM 1144 CD GLU A 71 21.499 45.226 -17.735 1.00 0.00 C ATOM 1145 OE1 GLU A 71 21.013 44.415 -18.506 1.00 0.00 O ATOM 1146 OE2 GLU A 71 21.951 46.306 -18.076 1.00 0.00 O ATOM 0 H GLU A 71 18.637 43.476 -13.340 1.00 0.00 H new ATOM 0 HA GLU A 71 20.824 43.819 -13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.498 44.178 -16.138 1.00 0.00 H new ATOM 0 HB3 GLU A 71 19.685 45.899 -15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 71 22.201 45.554 -15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 71 21.960 43.865 -16.120 1.00 0.00 H new ATOM 1153 N LEU A 72 21.257 45.766 -12.261 1.00 0.00 N ATOM 1154 CA LEU A 72 21.842 46.932 -11.543 1.00 0.00 C ATOM 1155 C LEU A 72 23.242 47.206 -12.105 1.00 0.00 C ATOM 1156 O LEU A 72 23.422 48.051 -12.957 1.00 0.00 O ATOM 1157 CB LEU A 72 21.922 46.636 -10.026 1.00 0.00 C ATOM 1158 CG LEU A 72 22.010 45.113 -9.781 1.00 0.00 C ATOM 1159 CD1 LEU A 72 22.739 44.839 -8.459 1.00 0.00 C ATOM 1160 CD2 LEU A 72 20.595 44.508 -9.713 1.00 0.00 C ATOM 0 H LEU A 72 21.264 44.887 -11.743 1.00 0.00 H new ATOM 0 HA LEU A 72 21.211 47.809 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 72 22.793 47.131 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 21.045 47.042 -9.522 1.00 0.00 H new ATOM 0 HG LEU A 72 22.561 44.657 -10.604 1.00 0.00 H new ATOM 0 HD11 LEU A 72 22.798 43.763 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 72 23.746 45.254 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 72 22.192 45.304 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 72 20.666 43.434 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.040 44.971 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.076 44.690 -10.654 1.00 0.00 H new ATOM 1172 N ARG A 73 24.230 46.495 -11.632 1.00 0.00 N ATOM 1173 CA ARG A 73 25.618 46.709 -12.135 1.00 0.00 C ATOM 1174 C ARG A 73 25.953 48.202 -12.090 1.00 0.00 C ATOM 1175 O ARG A 73 26.479 48.701 -11.115 1.00 0.00 O ATOM 1176 CB ARG A 73 25.729 46.204 -13.576 1.00 0.00 C ATOM 1177 CG ARG A 73 25.743 44.670 -13.589 1.00 0.00 C ATOM 1178 CD ARG A 73 24.390 44.124 -13.114 1.00 0.00 C ATOM 1179 NE ARG A 73 24.220 42.729 -13.611 1.00 0.00 N ATOM 1180 CZ ARG A 73 23.295 41.962 -13.101 1.00 0.00 C ATOM 1181 NH1 ARG A 73 22.516 42.416 -12.159 1.00 0.00 N ATOM 1182 NH2 ARG A 73 23.148 40.740 -13.535 1.00 0.00 N ATOM 0 H ARG A 73 24.136 45.773 -10.917 1.00 0.00 H new ATOM 0 HA ARG A 73 26.318 46.159 -11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 73 24.891 46.574 -14.166 1.00 0.00 H new ATOM 0 HB3 ARG A 73 26.639 46.589 -14.037 1.00 0.00 H new ATOM 0 HG2 ARG A 73 25.956 44.309 -14.595 1.00 0.00 H new ATOM 0 HG3 ARG A 73 26.540 44.301 -12.943 1.00 0.00 H new ATOM 0 HD2 ARG A 73 24.339 44.143 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 73 23.581 44.755 -13.482 1.00 0.00 H new ATOM 0 HE ARG A 73 24.827 42.374 -14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 73 22.629 43.371 -11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.794 41.816 -11.761 1.00 0.00 H new ATOM 0 HH21 ARG A 73 23.756 40.384 -14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.425 40.141 -13.136 1.00 0.00 H new ATOM 1196 N ASN A 74 25.654 48.921 -13.141 1.00 0.00 N ATOM 1197 CA ASN A 74 25.953 50.384 -13.165 1.00 0.00 C ATOM 1198 C ASN A 74 24.908 51.100 -14.025 1.00 0.00 C ATOM 1199 O ASN A 74 24.056 51.805 -13.523 1.00 0.00 O ATOM 1200 CB ASN A 74 27.345 50.606 -13.761 1.00 0.00 C ATOM 1201 CG ASN A 74 27.516 49.726 -15.000 1.00 0.00 C ATOM 1202 OD1 ASN A 74 26.623 48.984 -15.360 1.00 0.00 O ATOM 1203 ND2 ASN A 74 28.633 49.775 -15.673 1.00 0.00 N ATOM 0 H ASN A 74 25.214 48.557 -13.986 1.00 0.00 H new ATOM 0 HA ASN A 74 25.924 50.782 -12.151 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.475 51.655 -14.026 1.00 0.00 H new ATOM 0 HB3 ASN A 74 28.111 50.366 -13.023 1.00 0.00 H new ATOM 0 HD21 ASN A 74 28.756 49.191 -16.500 1.00 0.00 H new ATOM 0 HD22 ASN A 74 29.383 50.397 -15.372 1.00 0.00 H new ATOM 1210 N THR A 75 24.966 50.919 -15.316 1.00 0.00 N ATOM 1211 CA THR A 75 23.979 51.581 -16.212 1.00 0.00 C ATOM 1212 C THR A 75 24.062 53.104 -16.045 1.00 0.00 C ATOM 1213 O THR A 75 24.633 53.794 -16.866 1.00 0.00 O ATOM 1214 CB THR A 75 22.570 51.085 -15.863 1.00 0.00 C ATOM 1215 OG1 THR A 75 22.624 49.699 -15.554 1.00 0.00 O ATOM 1216 CG2 THR A 75 21.639 51.304 -17.055 1.00 0.00 C ATOM 0 H THR A 75 25.658 50.338 -15.790 1.00 0.00 H new ATOM 0 HA THR A 75 24.202 51.333 -17.250 1.00 0.00 H new ATOM 0 HB THR A 75 22.192 51.638 -15.003 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.726 49.379 -15.329 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.639 50.951 -16.805 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.599 52.366 -17.295 1.00 0.00 H new ATOM 0 HG23 THR A 75 22.014 50.751 -17.916 1.00 0.00 H new ATOM 1224 N THR A 76 23.500 53.635 -14.992 1.00 0.00 N ATOM 1225 CA THR A 76 23.553 55.111 -14.785 1.00 0.00 C ATOM 1226 C THR A 76 24.974 55.521 -14.394 1.00 0.00 C ATOM 1227 O THR A 76 25.492 55.106 -13.376 1.00 0.00 O ATOM 1228 CB THR A 76 22.583 55.508 -13.668 1.00 0.00 C ATOM 1229 OG1 THR A 76 22.963 54.862 -12.461 1.00 0.00 O ATOM 1230 CG2 THR A 76 21.162 55.090 -14.047 1.00 0.00 C ATOM 0 H THR A 76 23.008 53.112 -14.268 1.00 0.00 H new ATOM 0 HA THR A 76 23.269 55.616 -15.708 1.00 0.00 H new ATOM 0 HB THR A 76 22.614 56.589 -13.528 1.00 0.00 H new ATOM 0 HG1 THR A 76 23.936 54.748 -12.443 1.00 0.00 H new ATOM 0 HG21 THR A 76 20.475 55.374 -13.250 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.871 55.588 -14.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 21.126 54.010 -14.189 1.00 0.00 H new ATOM 1238 N ARG A 77 25.609 56.334 -15.194 1.00 0.00 N ATOM 1239 CA ARG A 77 26.995 56.770 -14.865 1.00 0.00 C ATOM 1240 C ARG A 77 26.947 57.818 -13.752 1.00 0.00 C ATOM 1241 O ARG A 77 27.964 58.239 -13.237 1.00 0.00 O ATOM 1242 CB ARG A 77 27.650 57.377 -16.108 1.00 0.00 C ATOM 1243 CG ARG A 77 27.524 56.402 -17.281 1.00 0.00 C ATOM 1244 CD ARG A 77 28.374 56.899 -18.452 1.00 0.00 C ATOM 1245 NE ARG A 77 28.006 58.307 -18.772 1.00 0.00 N ATOM 1246 CZ ARG A 77 28.788 59.031 -19.526 1.00 0.00 C ATOM 1247 NH1 ARG A 77 29.891 58.520 -20.000 1.00 0.00 N ATOM 1248 NH2 ARG A 77 28.466 60.264 -19.806 1.00 0.00 N ATOM 0 H ARG A 77 25.228 56.714 -16.060 1.00 0.00 H new ATOM 0 HA ARG A 77 27.577 55.910 -14.532 1.00 0.00 H new ATOM 0 HB2 ARG A 77 27.173 58.325 -16.357 1.00 0.00 H new ATOM 0 HB3 ARG A 77 28.700 57.591 -15.911 1.00 0.00 H new ATOM 0 HG2 ARG A 77 27.850 55.407 -16.977 1.00 0.00 H new ATOM 0 HG3 ARG A 77 26.481 56.316 -17.586 1.00 0.00 H new ATOM 0 HD2 ARG A 77 29.432 56.837 -18.199 1.00 0.00 H new ATOM 0 HD3 ARG A 77 28.217 56.264 -19.324 1.00 0.00 H new ATOM 0 HE ARG A 77 27.143 58.705 -18.402 1.00 0.00 H new ATOM 0 HH11 ARG A 77 30.142 57.556 -19.781 1.00 0.00 H new ATOM 0 HH12 ARG A 77 30.503 59.085 -20.589 1.00 0.00 H new ATOM 0 HH21 ARG A 77 27.603 60.662 -19.436 1.00 0.00 H new ATOM 0 HH22 ARG A 77 29.077 60.829 -20.395 1.00 0.00 H new ATOM 1262 N GLN A 78 25.771 58.242 -13.376 1.00 0.00 N ATOM 1263 CA GLN A 78 25.657 59.262 -12.296 1.00 0.00 C ATOM 1264 C GLN A 78 25.830 58.585 -10.935 1.00 0.00 C ATOM 1265 O GLN A 78 24.897 58.473 -10.164 1.00 0.00 O ATOM 1266 CB GLN A 78 24.280 59.926 -12.365 1.00 0.00 C ATOM 1267 CG GLN A 78 24.125 60.651 -13.705 1.00 0.00 C ATOM 1268 CD GLN A 78 22.650 60.980 -13.942 1.00 0.00 C ATOM 1269 OE1 GLN A 78 21.914 61.231 -13.009 1.00 0.00 O ATOM 1270 NE2 GLN A 78 22.183 60.988 -15.161 1.00 0.00 N ATOM 0 H GLN A 78 24.885 57.926 -13.770 1.00 0.00 H new ATOM 0 HA GLN A 78 26.431 60.018 -12.426 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.497 59.176 -12.254 1.00 0.00 H new ATOM 0 HB3 GLN A 78 24.164 60.632 -11.543 1.00 0.00 H new ATOM 0 HG2 GLN A 78 24.717 61.566 -13.706 1.00 0.00 H new ATOM 0 HG3 GLN A 78 24.503 60.026 -14.514 1.00 0.00 H new ATOM 0 HE21 GLN A 78 22.800 60.777 -15.945 1.00 0.00 H new ATOM 0 HE22 GLN A 78 21.201 61.205 -15.329 1.00 0.00 H new ATOM 1279 N CYS A 79 27.016 58.133 -10.632 1.00 0.00 N ATOM 1280 CA CYS A 79 27.245 57.465 -9.320 1.00 0.00 C ATOM 1281 C CYS A 79 26.923 58.442 -8.187 1.00 0.00 C ATOM 1282 O CYS A 79 26.580 58.046 -7.091 1.00 0.00 O ATOM 1283 CB CYS A 79 28.708 57.029 -9.216 1.00 0.00 C ATOM 1284 SG CYS A 79 29.022 56.358 -7.564 1.00 0.00 S ATOM 0 H CYS A 79 27.836 58.197 -11.236 1.00 0.00 H new ATOM 0 HA CYS A 79 26.599 56.590 -9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 79 28.929 56.277 -9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 79 29.366 57.877 -9.407 1.00 0.00 H new ATOM 0 HG CYS A 79 28.126 56.807 -6.736 1.00 0.00 H new ATOM 1290 N GLY A 80 27.030 59.718 -8.443 1.00 0.00 N ATOM 1291 CA GLY A 80 26.730 60.719 -7.380 1.00 0.00 C ATOM 1292 C GLY A 80 27.648 60.483 -6.180 1.00 0.00 C ATOM 1293 O GLY A 80 27.166 59.974 -5.181 1.00 0.00 O ATOM 1294 OXT GLY A 80 28.818 60.814 -6.280 1.00 0.00 O ATOM 0 H GLY A 80 27.312 60.110 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.872 61.728 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 80 25.687 60.638 -7.074 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 11.106 9.781 9.417 1.00 6.48 N ATOM 1300 CA GLY B 1 10.537 11.177 9.156 1.00 5.73 C ATOM 1301 C GLY B 1 9.983 11.512 7.814 1.00 4.94 C ATOM 1302 O GLY B 1 10.186 10.796 6.852 1.00 5.12 O ATOM 0 H1 GLY B 1 11.446 9.723 10.398 1.00 6.48 H new ATOM 0 H2 GLY B 1 10.363 9.069 9.265 1.00 6.48 H new ATOM 0 H3 GLY B 1 11.896 9.601 8.765 1.00 6.48 H new ATOM 0 HA2 GLY B 1 9.746 11.347 9.886 1.00 5.73 H new ATOM 0 HA3 GLY B 1 11.328 11.896 9.370 1.00 5.73 H new ATOM 1308 N SER B 2 9.277 12.605 7.708 1.00 4.43 N ATOM 1309 CA SER B 2 8.703 12.995 6.390 1.00 3.98 C ATOM 1310 C SER B 2 7.947 14.340 6.509 1.00 2.98 C ATOM 1311 O SER B 2 8.225 15.245 5.748 1.00 3.23 O ATOM 1312 CB SER B 2 7.776 11.872 5.863 1.00 4.81 C ATOM 1313 OG SER B 2 7.629 10.876 6.868 1.00 5.35 O ATOM 0 H SER B 2 9.073 13.244 8.477 1.00 4.43 H new ATOM 0 HA SER B 2 9.513 13.131 5.673 1.00 3.98 H new ATOM 0 HB2 SER B 2 6.802 12.283 5.596 1.00 4.81 H new ATOM 0 HB3 SER B 2 8.195 11.433 4.958 1.00 4.81 H new ATOM 0 HG SER B 2 7.042 10.164 6.539 1.00 5.35 H new ATOM 1319 N PRO B 3 7.016 14.459 7.443 1.00 2.36 N ATOM 1320 CA PRO B 3 6.266 15.721 7.598 1.00 2.03 C ATOM 1321 C PRO B 3 7.230 16.846 8.018 1.00 1.67 C ATOM 1322 O PRO B 3 7.272 17.255 9.162 1.00 2.17 O ATOM 1323 CB PRO B 3 5.204 15.428 8.687 1.00 2.59 C ATOM 1324 CG PRO B 3 5.460 13.985 9.212 1.00 2.98 C ATOM 1325 CD PRO B 3 6.633 13.390 8.397 1.00 2.84 C ATOM 0 HA PRO B 3 5.791 16.053 6.675 1.00 2.03 H new ATOM 0 HB2 PRO B 3 5.278 16.151 9.500 1.00 2.59 H new ATOM 0 HB3 PRO B 3 4.198 15.514 8.275 1.00 2.59 H new ATOM 0 HG2 PRO B 3 5.702 14.002 10.275 1.00 2.98 H new ATOM 0 HG3 PRO B 3 4.566 13.372 9.099 1.00 2.98 H new ATOM 0 HD2 PRO B 3 7.467 13.121 9.045 1.00 2.84 H new ATOM 0 HD3 PRO B 3 6.330 12.483 7.873 1.00 2.84 H new ATOM 1333 N LEU B 4 8.010 17.344 7.095 1.00 1.47 N ATOM 1334 CA LEU B 4 8.971 18.436 7.433 1.00 1.38 C ATOM 1335 C LEU B 4 9.718 18.086 8.724 1.00 1.11 C ATOM 1336 O LEU B 4 9.930 18.925 9.576 1.00 1.29 O ATOM 1337 CB LEU B 4 8.206 19.750 7.622 1.00 1.71 C ATOM 1338 CG LEU B 4 7.140 19.884 6.532 1.00 2.15 C ATOM 1339 CD1 LEU B 4 6.469 21.255 6.642 1.00 2.81 C ATOM 1340 CD2 LEU B 4 7.794 19.745 5.155 1.00 2.82 C ATOM 0 H LEU B 4 8.023 17.042 6.121 1.00 1.47 H new ATOM 0 HA LEU B 4 9.690 18.548 6.621 1.00 1.38 H new ATOM 0 HB2 LEU B 4 7.739 19.772 8.607 1.00 1.71 H new ATOM 0 HB3 LEU B 4 8.895 20.593 7.577 1.00 1.71 H new ATOM 0 HG LEU B 4 6.392 19.101 6.658 1.00 2.15 H new ATOM 0 HD11 LEU B 4 5.710 21.352 5.866 1.00 2.81 H new ATOM 0 HD12 LEU B 4 6.002 21.354 7.622 1.00 2.81 H new ATOM 0 HD13 LEU B 4 7.217 22.037 6.517 1.00 2.81 H new ATOM 0 HD21 LEU B 4 7.034 19.841 4.380 1.00 2.82 H new ATOM 0 HD22 LEU B 4 8.543 20.527 5.027 1.00 2.82 H new ATOM 0 HD23 LEU B 4 8.272 18.769 5.076 1.00 2.82 H new ATOM 1352 N GLY B 5 10.117 16.853 8.874 1.00 0.96 N ATOM 1353 CA GLY B 5 10.847 16.449 10.110 1.00 0.91 C ATOM 1354 C GLY B 5 12.148 17.246 10.222 1.00 0.71 C ATOM 1355 O GLY B 5 12.423 17.864 11.232 1.00 0.79 O ATOM 0 H GLY B 5 9.969 16.107 8.194 1.00 0.96 H new ATOM 0 HA2 GLY B 5 10.224 16.626 10.987 1.00 0.91 H new ATOM 0 HA3 GLY B 5 11.064 15.381 10.084 1.00 0.91 H new ATOM 1359 N GLN B 6 12.953 17.237 9.194 1.00 0.61 N ATOM 1360 CA GLN B 6 14.237 17.993 9.243 1.00 0.58 C ATOM 1361 C GLN B 6 13.979 19.407 9.769 1.00 0.45 C ATOM 1362 O GLN B 6 14.876 20.078 10.240 1.00 0.53 O ATOM 1363 CB GLN B 6 14.835 18.075 7.836 1.00 0.73 C ATOM 1364 CG GLN B 6 16.297 18.516 7.925 1.00 0.92 C ATOM 1365 CD GLN B 6 16.917 18.515 6.526 1.00 1.60 C ATOM 1366 OE1 GLN B 6 16.412 19.154 5.624 1.00 2.37 O ATOM 1367 NE2 GLN B 6 17.999 17.819 6.305 1.00 2.15 N ATOM 0 H GLN B 6 12.777 16.738 8.322 1.00 0.61 H new ATOM 0 HA GLN B 6 14.934 17.480 9.906 1.00 0.58 H new ATOM 0 HB2 GLN B 6 14.767 17.105 7.344 1.00 0.73 H new ATOM 0 HB3 GLN B 6 14.268 18.781 7.229 1.00 0.73 H new ATOM 0 HG2 GLN B 6 16.361 19.512 8.362 1.00 0.92 H new ATOM 0 HG3 GLN B 6 16.851 17.844 8.580 1.00 0.92 H new ATOM 0 HE21 GLN B 6 18.424 17.282 7.061 1.00 2.15 H new ATOM 0 HE22 GLN B 6 18.420 17.812 5.376 1.00 2.15 H new ATOM 1376 N ASP B 7 12.759 19.864 9.692 1.00 0.40 N ATOM 1377 CA ASP B 7 12.442 21.233 10.187 1.00 0.38 C ATOM 1378 C ASP B 7 12.716 21.305 11.688 1.00 0.33 C ATOM 1379 O ASP B 7 13.397 22.190 12.166 1.00 0.39 O ATOM 1380 CB ASP B 7 10.964 21.540 9.922 1.00 0.48 C ATOM 1381 CG ASP B 7 10.727 23.049 10.014 1.00 1.12 C ATOM 1382 OD1 ASP B 7 11.283 23.663 10.910 1.00 1.86 O ATOM 1383 OD2 ASP B 7 9.992 23.565 9.187 1.00 1.78 O ATOM 0 H ASP B 7 11.968 19.348 9.307 1.00 0.40 H new ATOM 0 HA ASP B 7 13.064 21.963 9.668 1.00 0.38 H new ATOM 0 HB2 ASP B 7 10.678 21.177 8.935 1.00 0.48 H new ATOM 0 HB3 ASP B 7 10.339 21.019 10.647 1.00 0.48 H new ATOM 1388 N VAL B 8 12.184 20.380 12.434 1.00 0.33 N ATOM 1389 CA VAL B 8 12.404 20.390 13.908 1.00 0.39 C ATOM 1390 C VAL B 8 13.895 20.569 14.206 1.00 0.36 C ATOM 1391 O VAL B 8 14.281 21.394 15.010 1.00 0.48 O ATOM 1392 CB VAL B 8 11.914 19.070 14.508 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.750 19.227 16.021 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.565 18.699 13.886 1.00 1.19 C ATOM 0 H VAL B 8 11.605 19.615 12.087 1.00 0.33 H new ATOM 0 HA VAL B 8 11.848 21.217 14.350 1.00 0.39 H new ATOM 0 HB VAL B 8 12.640 18.284 14.301 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.401 18.287 16.449 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.709 19.494 16.465 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.023 20.012 16.229 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.214 17.759 14.312 1.00 1.19 H new ATOM 0 HG22 VAL B 8 9.840 19.485 14.095 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.680 18.588 12.808 1.00 1.19 H new ATOM 1404 N PHE B 9 14.740 19.807 13.565 1.00 0.28 N ATOM 1405 CA PHE B 9 16.205 19.944 13.815 1.00 0.27 C ATOM 1406 C PHE B 9 16.588 21.424 13.759 1.00 0.25 C ATOM 1407 O PHE B 9 17.313 21.918 14.600 1.00 0.32 O ATOM 1408 CB PHE B 9 16.978 19.164 12.748 1.00 0.26 C ATOM 1409 CG PHE B 9 18.405 18.971 13.200 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.318 20.023 13.082 1.00 0.23 C ATOM 1411 CD2 PHE B 9 18.815 17.745 13.739 1.00 0.18 C ATOM 1412 CE1 PHE B 9 20.639 19.852 13.498 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.139 17.575 14.157 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.050 18.630 14.035 1.00 0.20 C ATOM 0 H PHE B 9 14.480 19.097 12.880 1.00 0.28 H new ATOM 0 HA PHE B 9 16.452 19.544 14.798 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.506 18.197 12.576 1.00 0.26 H new ATOM 0 HB3 PHE B 9 16.955 19.703 11.801 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.001 20.969 12.669 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.110 16.932 13.832 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.344 20.665 13.405 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.458 16.631 14.573 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.073 18.499 14.357 1.00 0.20 H new ATOM 1424 N LEU B 10 16.092 22.143 12.788 1.00 0.23 N ATOM 1425 CA LEU B 10 16.418 23.594 12.704 1.00 0.23 C ATOM 1426 C LEU B 10 15.725 24.312 13.863 1.00 0.24 C ATOM 1427 O LEU B 10 16.243 25.257 14.424 1.00 0.28 O ATOM 1428 CB LEU B 10 15.918 24.169 11.375 1.00 0.25 C ATOM 1429 CG LEU B 10 16.406 23.306 10.206 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.065 24.006 8.892 1.00 0.30 C ATOM 1431 CD2 LEU B 10 17.925 23.112 10.296 1.00 0.23 C ATOM 0 H LEU B 10 15.479 21.790 12.054 1.00 0.23 H new ATOM 0 HA LEU B 10 17.497 23.734 12.762 1.00 0.23 H new ATOM 0 HB2 LEU B 10 14.829 24.211 11.376 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.276 25.192 11.256 1.00 0.25 H new ATOM 0 HG LEU B 10 15.918 22.332 10.248 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.409 23.398 8.056 1.00 0.30 H new ATOM 0 HD12 LEU B 10 14.986 24.142 8.822 1.00 0.30 H new ATOM 0 HD13 LEU B 10 16.556 24.979 8.860 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.263 22.498 9.462 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.419 24.083 10.256 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.174 22.617 11.235 1.00 0.23 H new ATOM 1443 N ASP B 11 14.557 23.865 14.230 1.00 0.23 N ATOM 1444 CA ASP B 11 13.834 24.515 15.359 1.00 0.25 C ATOM 1445 C ASP B 11 14.747 24.544 16.588 1.00 0.22 C ATOM 1446 O ASP B 11 14.939 25.571 17.204 1.00 0.30 O ATOM 1447 CB ASP B 11 12.563 23.725 15.682 1.00 0.30 C ATOM 1448 CG ASP B 11 11.656 24.561 16.586 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.040 25.672 16.912 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.593 24.077 16.936 1.00 1.67 O ATOM 0 H ASP B 11 14.072 23.079 13.798 1.00 0.23 H new ATOM 0 HA ASP B 11 13.560 25.532 15.080 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.039 23.468 14.762 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.821 22.788 16.175 1.00 0.30 H new ATOM 1455 N TYR B 12 15.316 23.425 16.947 1.00 0.17 N ATOM 1456 CA TYR B 12 16.218 23.401 18.130 1.00 0.15 C ATOM 1457 C TYR B 12 17.364 24.387 17.903 1.00 0.16 C ATOM 1458 O TYR B 12 17.684 25.194 18.751 1.00 0.23 O ATOM 1459 CB TYR B 12 16.789 21.984 18.316 1.00 0.14 C ATOM 1460 CG TYR B 12 15.685 21.019 18.723 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.928 21.249 19.883 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.419 19.887 17.938 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.914 20.356 20.250 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.405 18.995 18.308 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.653 19.230 19.463 1.00 0.27 C ATOM 1466 OH TYR B 12 12.653 18.351 19.827 1.00 0.32 O ATOM 0 H TYR B 12 15.195 22.530 16.473 1.00 0.17 H new ATOM 0 HA TYR B 12 15.660 23.683 19.023 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.253 21.647 17.389 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.570 21.996 19.077 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.128 22.117 20.494 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.998 19.703 17.045 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.333 20.537 21.142 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.204 18.125 17.701 1.00 0.24 H new ATOM 0 HH TYR B 12 12.602 17.624 19.172 1.00 0.32 H new ATOM 1476 N CYS B 13 17.979 24.325 16.759 1.00 0.19 N ATOM 1477 CA CYS B 13 19.104 25.255 16.460 1.00 0.24 C ATOM 1478 C CYS B 13 18.684 26.690 16.790 1.00 0.26 C ATOM 1479 O CYS B 13 19.440 27.451 17.360 1.00 0.33 O ATOM 1480 CB CYS B 13 19.473 25.146 14.975 1.00 0.30 C ATOM 1481 SG CYS B 13 20.502 26.554 14.489 1.00 1.27 S ATOM 0 H CYS B 13 17.752 23.668 16.013 1.00 0.19 H new ATOM 0 HA CYS B 13 19.970 24.989 17.066 1.00 0.24 H new ATOM 0 HB2 CYS B 13 20.007 24.214 14.792 1.00 0.30 H new ATOM 0 HB3 CYS B 13 18.568 25.119 14.368 1.00 0.30 H new ATOM 0 HG CYS B 13 20.811 26.452 13.230 1.00 1.27 H new ATOM 1487 N GLN B 14 17.485 27.066 16.441 1.00 0.24 N ATOM 1488 CA GLN B 14 17.026 28.451 16.743 1.00 0.27 C ATOM 1489 C GLN B 14 17.276 28.752 18.222 1.00 0.24 C ATOM 1490 O GLN B 14 17.930 29.716 18.567 1.00 0.29 O ATOM 1491 CB GLN B 14 15.532 28.577 16.439 1.00 0.32 C ATOM 1492 CG GLN B 14 15.079 30.014 16.697 1.00 0.62 C ATOM 1493 CD GLN B 14 13.686 30.224 16.104 1.00 0.88 C ATOM 1494 OE1 GLN B 14 12.992 29.274 15.799 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.243 31.438 15.925 1.00 1.44 N ATOM 0 H GLN B 14 16.805 26.476 15.961 1.00 0.24 H new ATOM 0 HA GLN B 14 17.577 29.161 16.126 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.337 28.303 15.402 1.00 0.32 H new ATOM 0 HB3 GLN B 14 14.964 27.888 17.063 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.064 30.215 17.768 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.785 30.715 16.251 1.00 0.62 H new ATOM 0 HE21 GLN B 14 13.825 32.236 16.181 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.315 31.589 15.529 1.00 1.44 H new ATOM 1504 N LYS B 15 16.767 27.930 19.100 1.00 0.23 N ATOM 1505 CA LYS B 15 16.984 28.167 20.557 1.00 0.23 C ATOM 1506 C LYS B 15 18.469 28.434 20.807 1.00 0.20 C ATOM 1507 O LYS B 15 18.854 29.469 21.315 1.00 0.23 O ATOM 1508 CB LYS B 15 16.576 26.915 21.334 1.00 0.24 C ATOM 1509 CG LYS B 15 15.056 26.828 21.438 1.00 0.55 C ATOM 1510 CD LYS B 15 14.697 25.713 22.417 1.00 1.19 C ATOM 1511 CE LYS B 15 13.204 25.424 22.347 1.00 1.47 C ATOM 1512 NZ LYS B 15 12.446 26.707 22.342 1.00 2.21 N ATOM 0 H LYS B 15 16.211 27.106 18.872 1.00 0.23 H new ATOM 0 HA LYS B 15 16.390 29.021 20.881 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.965 26.027 20.836 1.00 0.24 H new ATOM 0 HB3 LYS B 15 17.015 26.939 22.331 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.645 27.778 21.780 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.621 26.626 20.459 1.00 0.55 H new ATOM 0 HD2 LYS B 15 15.262 24.812 22.179 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.973 26.004 23.431 1.00 1.19 H new ATOM 0 HE2 LYS B 15 12.976 24.852 21.448 1.00 1.47 H new ATOM 0 HE3 LYS B 15 12.901 24.814 23.198 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 11.467 26.533 22.648 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.898 27.380 22.993 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 12.443 27.104 21.381 1.00 2.21 H new ATOM 1526 N LEU B 16 19.301 27.497 20.451 1.00 0.18 N ATOM 1527 CA LEU B 16 20.764 27.666 20.658 1.00 0.17 C ATOM 1528 C LEU B 16 21.210 28.982 20.014 1.00 0.18 C ATOM 1529 O LEU B 16 22.130 29.630 20.471 1.00 0.23 O ATOM 1530 CB LEU B 16 21.490 26.464 20.006 1.00 0.15 C ATOM 1531 CG LEU B 16 22.553 25.886 20.956 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.882 25.033 22.043 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.528 25.022 20.152 1.00 0.18 C ATOM 0 H LEU B 16 19.027 26.613 20.022 1.00 0.18 H new ATOM 0 HA LEU B 16 21.006 27.699 21.720 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.765 25.691 19.751 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.961 26.779 19.075 1.00 0.15 H new ATOM 0 HG LEU B 16 23.093 26.704 21.434 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.643 24.629 22.710 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.190 25.651 22.615 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.336 24.213 21.577 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.284 24.609 20.820 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.983 24.208 19.673 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.012 25.633 19.390 1.00 0.18 H new ATOM 1545 N LEU B 17 20.564 29.377 18.958 1.00 0.17 N ATOM 1546 CA LEU B 17 20.947 30.645 18.286 1.00 0.19 C ATOM 1547 C LEU B 17 20.413 31.829 19.096 1.00 0.22 C ATOM 1548 O LEU B 17 21.108 32.796 19.337 1.00 0.30 O ATOM 1549 CB LEU B 17 20.344 30.666 16.875 1.00 0.19 C ATOM 1550 CG LEU B 17 21.108 31.676 15.990 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.329 30.997 15.357 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.199 32.196 14.871 1.00 0.33 C ATOM 0 H LEU B 17 19.786 28.876 18.530 1.00 0.17 H new ATOM 0 HA LEU B 17 22.033 30.717 18.219 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.396 29.671 16.433 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.290 30.938 16.925 1.00 0.19 H new ATOM 0 HG LEU B 17 21.429 32.508 16.617 1.00 0.22 H new ATOM 0 HD11 LEU B 17 22.863 31.715 14.734 1.00 0.14 H new ATOM 0 HD12 LEU B 17 22.992 30.635 16.143 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.001 30.158 14.743 1.00 0.14 H new ATOM 0 HD21 LEU B 17 20.750 32.907 14.255 1.00 0.33 H new ATOM 0 HD22 LEU B 17 19.868 31.361 14.253 1.00 0.33 H new ATOM 0 HD23 LEU B 17 19.331 32.691 15.307 1.00 0.33 H new ATOM 1564 N GLU B 18 19.182 31.756 19.516 1.00 0.20 N ATOM 1565 CA GLU B 18 18.594 32.870 20.311 1.00 0.24 C ATOM 1566 C GLU B 18 19.235 32.885 21.695 1.00 0.22 C ATOM 1567 O GLU B 18 19.738 33.891 22.153 1.00 0.26 O ATOM 1568 CB GLU B 18 17.087 32.649 20.468 1.00 0.30 C ATOM 1569 CG GLU B 18 16.430 32.495 19.092 1.00 1.05 C ATOM 1570 CD GLU B 18 16.220 33.872 18.457 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.695 34.741 19.134 1.00 2.29 O ATOM 1572 OE2 GLU B 18 16.587 34.034 17.305 1.00 2.17 O ATOM 0 H GLU B 18 18.555 30.970 19.343 1.00 0.20 H new ATOM 0 HA GLU B 18 18.775 33.816 19.801 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.903 31.758 21.069 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.642 33.490 21.000 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.057 31.879 18.447 1.00 1.05 H new ATOM 0 HG3 GLU B 18 15.474 31.981 19.191 1.00 1.05 H new ATOM 1579 N LYS B 19 19.206 31.769 22.366 1.00 0.19 N ATOM 1580 CA LYS B 19 19.799 31.696 23.732 1.00 0.20 C ATOM 1581 C LYS B 19 21.187 32.349 23.730 1.00 0.19 C ATOM 1582 O LYS B 19 21.468 33.224 24.525 1.00 0.26 O ATOM 1583 CB LYS B 19 19.896 30.217 24.154 1.00 0.21 C ATOM 1584 CG LYS B 19 19.719 30.080 25.671 1.00 0.29 C ATOM 1585 CD LYS B 19 19.902 28.613 26.073 1.00 0.33 C ATOM 1586 CE LYS B 19 19.318 28.379 27.467 1.00 0.95 C ATOM 1587 NZ LYS B 19 19.944 29.324 28.435 1.00 1.68 N ATOM 0 H LYS B 19 18.795 30.899 22.027 1.00 0.19 H new ATOM 0 HA LYS B 19 19.170 32.232 24.443 1.00 0.20 H new ATOM 0 HB2 LYS B 19 19.132 29.635 23.639 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.862 29.810 23.856 1.00 0.21 H new ATOM 0 HG2 LYS B 19 20.445 30.705 26.191 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.729 30.429 25.966 1.00 0.29 H new ATOM 0 HD2 LYS B 19 19.409 27.964 25.349 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.961 28.354 26.064 1.00 0.33 H new ATOM 0 HE2 LYS B 19 18.238 28.523 27.449 1.00 0.95 H new ATOM 0 HE3 LYS B 19 19.497 27.350 27.780 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 19.776 28.989 29.405 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 20.968 29.374 28.258 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 19.526 30.269 28.318 1.00 1.68 H new ATOM 1601 N PHE B 20 22.049 31.951 22.835 1.00 0.15 N ATOM 1602 CA PHE B 20 23.397 32.572 22.780 1.00 0.15 C ATOM 1603 C PHE B 20 23.289 33.866 21.973 1.00 0.16 C ATOM 1604 O PHE B 20 24.258 34.561 21.744 1.00 0.25 O ATOM 1605 CB PHE B 20 24.368 31.611 22.096 1.00 0.14 C ATOM 1606 CG PHE B 20 24.709 30.473 23.034 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.787 29.436 23.220 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.940 30.446 23.719 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.085 28.376 24.081 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.233 29.382 24.580 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.305 28.348 24.760 1.00 0.14 C ATOM 0 H PHE B 20 21.876 31.223 22.141 1.00 0.15 H new ATOM 0 HA PHE B 20 23.764 32.787 23.784 1.00 0.15 H new ATOM 0 HB2 PHE B 20 23.923 31.220 21.181 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.276 32.141 21.807 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.843 29.455 22.697 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.655 31.243 23.580 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.371 27.578 24.221 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.176 29.358 25.106 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.533 27.528 25.425 1.00 0.14 H new ATOM 1621 N ARG B 21 22.094 34.192 21.555 1.00 0.15 N ATOM 1622 CA ARG B 21 21.871 35.444 20.771 1.00 0.17 C ATOM 1623 C ARG B 21 22.837 35.539 19.580 1.00 0.14 C ATOM 1624 O ARG B 21 23.364 36.596 19.295 1.00 0.18 O ATOM 1625 CB ARG B 21 22.085 36.654 21.683 1.00 0.23 C ATOM 1626 CG ARG B 21 21.324 36.445 22.999 1.00 0.58 C ATOM 1627 CD ARG B 21 21.442 37.700 23.894 1.00 1.16 C ATOM 1628 NE ARG B 21 21.741 37.294 25.306 1.00 1.87 N ATOM 1629 CZ ARG B 21 21.069 36.339 25.896 1.00 2.62 C ATOM 1630 NH1 ARG B 21 20.046 35.787 25.305 1.00 2.94 N ATOM 1631 NH2 ARG B 21 21.406 35.958 27.098 1.00 3.56 N ATOM 0 H ARG B 21 21.254 33.639 21.725 1.00 0.15 H new ATOM 0 HA ARG B 21 20.851 35.428 20.387 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.148 36.788 21.883 1.00 0.23 H new ATOM 0 HB3 ARG B 21 21.736 37.561 21.189 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.275 36.236 22.791 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.723 35.577 23.524 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.231 38.352 23.519 1.00 1.16 H new ATOM 0 HD3 ARG B 21 20.514 38.271 23.859 1.00 1.16 H new ATOM 0 HE ARG B 21 22.483 37.772 25.817 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.764 36.099 24.376 1.00 2.94 H new ATOM 0 HH12 ARG B 21 19.528 35.043 25.772 1.00 2.94 H new ATOM 0 HH21 ARG B 21 22.190 36.404 27.573 1.00 3.56 H new ATOM 0 HH22 ARG B 21 20.885 35.214 27.562 1.00 3.56 H new ATOM 1645 N TYR B 22 23.070 34.464 18.867 1.00 0.14 N ATOM 1646 CA TYR B 22 23.996 34.547 17.693 1.00 0.13 C ATOM 1647 C TYR B 22 23.197 35.043 16.458 1.00 0.15 C ATOM 1648 O TYR B 22 22.010 34.794 16.376 1.00 0.16 O ATOM 1649 CB TYR B 22 24.569 33.151 17.387 1.00 0.12 C ATOM 1650 CG TYR B 22 25.763 32.834 18.279 1.00 0.13 C ATOM 1651 CD1 TYR B 22 26.903 33.660 18.283 1.00 0.14 C ATOM 1652 CD2 TYR B 22 25.734 31.695 19.098 1.00 0.14 C ATOM 1653 CE1 TYR B 22 27.995 33.345 19.099 1.00 0.17 C ATOM 1654 CE2 TYR B 22 26.829 31.385 19.913 1.00 0.17 C ATOM 1655 CZ TYR B 22 27.958 32.210 19.914 1.00 0.18 C ATOM 1656 OH TYR B 22 29.036 31.903 20.716 1.00 0.21 O ATOM 0 H TYR B 22 22.666 33.544 19.043 1.00 0.14 H new ATOM 0 HA TYR B 22 24.811 35.235 17.918 1.00 0.13 H new ATOM 0 HB2 TYR B 22 23.794 32.398 17.532 1.00 0.12 H new ATOM 0 HB3 TYR B 22 24.871 33.101 16.341 1.00 0.12 H new ATOM 0 HD1 TYR B 22 26.935 34.538 17.655 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.864 31.055 19.100 1.00 0.14 H new ATOM 0 HE1 TYR B 22 28.868 33.980 19.099 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.802 30.507 20.542 1.00 0.17 H new ATOM 0 HH TYR B 22 29.657 31.327 20.223 1.00 0.21 H new ATOM 1666 N PRO B 23 23.857 35.707 15.517 1.00 0.16 N ATOM 1667 CA PRO B 23 23.183 36.192 14.292 1.00 0.18 C ATOM 1668 C PRO B 23 22.625 35.008 13.481 1.00 0.19 C ATOM 1669 O PRO B 23 22.801 33.860 13.832 1.00 0.19 O ATOM 1670 CB PRO B 23 24.279 36.940 13.497 1.00 0.19 C ATOM 1671 CG PRO B 23 25.622 36.720 14.244 1.00 0.17 C ATOM 1672 CD PRO B 23 25.296 36.034 15.588 1.00 0.15 C ATOM 0 HA PRO B 23 22.336 36.840 14.517 1.00 0.18 H new ATOM 0 HB2 PRO B 23 24.340 36.561 12.477 1.00 0.19 H new ATOM 0 HB3 PRO B 23 24.047 38.003 13.429 1.00 0.19 H new ATOM 0 HG2 PRO B 23 26.294 36.101 13.650 1.00 0.17 H new ATOM 0 HG3 PRO B 23 26.128 37.671 14.411 1.00 0.17 H new ATOM 0 HD2 PRO B 23 25.897 35.136 15.728 1.00 0.15 H new ATOM 0 HD3 PRO B 23 25.509 36.694 16.429 1.00 0.15 H new ATOM 1680 N TRP B 24 21.949 35.297 12.402 1.00 0.22 N ATOM 1681 CA TRP B 24 21.355 34.219 11.551 1.00 0.24 C ATOM 1682 C TRP B 24 22.428 33.561 10.668 1.00 0.25 C ATOM 1683 O TRP B 24 22.195 32.526 10.076 1.00 0.34 O ATOM 1684 CB TRP B 24 20.269 34.839 10.663 1.00 0.28 C ATOM 1685 CG TRP B 24 19.766 33.826 9.684 1.00 0.53 C ATOM 1686 CD1 TRP B 24 20.214 33.684 8.416 1.00 1.45 C ATOM 1687 CD2 TRP B 24 18.732 32.818 9.869 1.00 0.35 C ATOM 1688 NE1 TRP B 24 19.520 32.652 7.810 1.00 1.68 N ATOM 1689 CE2 TRP B 24 18.596 32.087 8.666 1.00 0.93 C ATOM 1690 CE3 TRP B 24 17.907 32.471 10.954 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 17.673 31.048 8.542 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 16.976 31.425 10.834 1.00 1.15 C ATOM 1693 CH2 TRP B 24 16.860 30.715 9.629 1.00 0.63 C ATOM 0 H TRP B 24 21.780 36.246 12.068 1.00 0.22 H new ATOM 0 HA TRP B 24 20.928 33.451 12.196 1.00 0.24 H new ATOM 0 HB2 TRP B 24 19.446 35.200 11.280 1.00 0.28 H new ATOM 0 HB3 TRP B 24 20.671 35.701 10.132 1.00 0.28 H new ATOM 0 HD1 TRP B 24 20.987 34.279 7.952 1.00 1.45 H new ATOM 0 HE1 TRP B 24 19.672 32.346 6.849 1.00 1.68 H new ATOM 0 HE3 TRP B 24 17.989 33.012 11.885 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 17.587 30.505 7.612 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 16.347 31.166 11.673 1.00 1.15 H new ATOM 0 HH2 TRP B 24 16.143 29.912 9.542 1.00 0.63 H new ATOM 1704 N GLU B 25 23.584 34.152 10.549 1.00 0.21 N ATOM 1705 CA GLU B 25 24.636 33.550 9.672 1.00 0.24 C ATOM 1706 C GLU B 25 25.354 32.386 10.377 1.00 0.21 C ATOM 1707 O GLU B 25 26.056 31.621 9.746 1.00 0.24 O ATOM 1708 CB GLU B 25 25.666 34.631 9.295 1.00 0.31 C ATOM 1709 CG GLU B 25 24.978 35.995 9.206 1.00 1.20 C ATOM 1710 CD GLU B 25 23.737 35.898 8.314 1.00 1.43 C ATOM 1711 OE1 GLU B 25 23.886 36.027 7.111 1.00 1.99 O ATOM 1712 OE2 GLU B 25 22.660 35.699 8.852 1.00 1.86 O ATOM 0 H GLU B 25 23.848 35.020 11.016 1.00 0.21 H new ATOM 0 HA GLU B 25 24.152 33.160 8.776 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.462 34.663 10.039 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.132 34.385 8.341 1.00 0.31 H new ATOM 0 HG2 GLU B 25 24.694 36.334 10.202 1.00 1.20 H new ATOM 0 HG3 GLU B 25 25.669 36.735 8.802 1.00 1.20 H new ATOM 1719 N LEU B 26 25.213 32.254 11.673 1.00 0.16 N ATOM 1720 CA LEU B 26 25.925 31.146 12.396 1.00 0.15 C ATOM 1721 C LEU B 26 25.004 29.944 12.606 1.00 0.15 C ATOM 1722 O LEU B 26 25.172 29.188 13.542 1.00 0.19 O ATOM 1723 CB LEU B 26 26.403 31.649 13.758 1.00 0.13 C ATOM 1724 CG LEU B 26 27.052 33.026 13.605 1.00 0.13 C ATOM 1725 CD1 LEU B 26 27.738 33.407 14.917 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.092 32.993 12.478 1.00 0.14 C ATOM 0 H LEU B 26 24.640 32.859 12.261 1.00 0.16 H new ATOM 0 HA LEU B 26 26.774 30.834 11.788 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.562 31.708 14.449 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.118 30.946 14.185 1.00 0.13 H new ATOM 0 HG LEU B 26 26.285 33.760 13.361 1.00 0.13 H new ATOM 0 HD11 LEU B 26 28.202 34.388 14.813 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.000 33.438 15.718 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.502 32.667 15.156 1.00 0.14 H new ATOM 0 HD21 LEU B 26 28.549 33.977 12.376 1.00 0.14 H new ATOM 0 HD22 LEU B 26 28.862 32.258 12.714 1.00 0.14 H new ATOM 0 HD23 LEU B 26 27.605 32.720 11.542 1.00 0.14 H new ATOM 1738 N MET B 27 24.045 29.743 11.748 1.00 0.15 N ATOM 1739 CA MET B 27 23.149 28.572 11.923 1.00 0.17 C ATOM 1740 C MET B 27 23.880 27.258 11.546 1.00 0.14 C ATOM 1741 O MET B 27 23.653 26.254 12.193 1.00 0.19 O ATOM 1742 CB MET B 27 21.879 28.748 11.068 1.00 0.20 C ATOM 1743 CG MET B 27 20.848 29.591 11.823 1.00 0.39 C ATOM 1744 SD MET B 27 19.327 29.662 10.856 1.00 1.31 S ATOM 1745 CE MET B 27 18.567 28.167 11.530 1.00 0.45 C ATOM 0 H MET B 27 23.845 30.334 10.941 1.00 0.15 H new ATOM 0 HA MET B 27 22.861 28.509 12.972 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.131 29.229 10.123 1.00 0.20 H new ATOM 0 HB3 MET B 27 21.456 27.773 10.826 1.00 0.20 H new ATOM 0 HG2 MET B 27 20.651 29.156 12.803 1.00 0.39 H new ATOM 0 HG3 MET B 27 21.234 30.596 11.992 1.00 0.39 H new ATOM 0 HE1 MET B 27 17.594 28.011 11.064 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.208 27.309 11.327 1.00 0.45 H new ATOM 0 HE3 MET B 27 18.439 28.277 12.607 1.00 0.45 H new ATOM 1755 N PRO B 28 24.732 27.265 10.526 1.00 0.09 N ATOM 1756 CA PRO B 28 25.451 26.034 10.131 1.00 0.09 C ATOM 1757 C PRO B 28 26.256 25.489 11.313 1.00 0.09 C ATOM 1758 O PRO B 28 26.503 24.305 11.414 1.00 0.14 O ATOM 1759 CB PRO B 28 26.366 26.471 8.968 1.00 0.10 C ATOM 1760 CG PRO B 28 25.869 27.867 8.517 1.00 0.12 C ATOM 1761 CD PRO B 28 25.057 28.445 9.688 1.00 0.12 C ATOM 0 HA PRO B 28 24.780 25.230 9.828 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.407 26.515 9.289 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.316 25.757 8.146 1.00 0.10 H new ATOM 0 HG2 PRO B 28 26.709 28.516 8.271 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.254 27.788 7.621 1.00 0.12 H new ATOM 0 HD2 PRO B 28 25.634 29.183 10.246 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.154 28.945 9.338 1.00 0.12 H new ATOM 1769 N LEU B 29 26.657 26.338 12.214 1.00 0.10 N ATOM 1770 CA LEU B 29 27.426 25.856 13.391 1.00 0.09 C ATOM 1771 C LEU B 29 26.432 25.312 14.412 1.00 0.10 C ATOM 1772 O LEU B 29 26.513 24.172 14.821 1.00 0.16 O ATOM 1773 CB LEU B 29 28.232 27.013 13.982 1.00 0.08 C ATOM 1774 CG LEU B 29 28.963 27.739 12.847 1.00 0.09 C ATOM 1775 CD1 LEU B 29 29.803 28.881 13.428 1.00 0.12 C ATOM 1776 CD2 LEU B 29 29.874 26.744 12.103 1.00 0.09 C ATOM 0 H LEU B 29 26.486 27.343 12.187 1.00 0.10 H new ATOM 0 HA LEU B 29 28.123 25.069 13.104 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.572 27.703 14.507 1.00 0.08 H new ATOM 0 HB3 LEU B 29 28.948 26.639 14.713 1.00 0.08 H new ATOM 0 HG LEU B 29 28.235 28.150 12.148 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.323 29.397 12.621 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.152 29.584 13.948 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.533 28.476 14.129 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.394 27.260 11.296 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.604 26.329 12.798 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.269 25.938 11.688 1.00 0.09 H new ATOM 1788 N MET B 30 25.466 26.101 14.799 1.00 0.10 N ATOM 1789 CA MET B 30 24.449 25.600 15.761 1.00 0.12 C ATOM 1790 C MET B 30 23.871 24.301 15.198 1.00 0.10 C ATOM 1791 O MET B 30 23.357 23.466 15.916 1.00 0.13 O ATOM 1792 CB MET B 30 23.331 26.638 15.903 1.00 0.16 C ATOM 1793 CG MET B 30 23.782 27.762 16.835 1.00 0.19 C ATOM 1794 SD MET B 30 25.280 28.534 16.167 1.00 1.23 S ATOM 1795 CE MET B 30 26.220 28.646 17.712 1.00 0.22 C ATOM 0 H MET B 30 25.339 27.065 14.491 1.00 0.10 H new ATOM 0 HA MET B 30 24.898 25.425 16.739 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.074 27.045 14.925 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.432 26.165 16.297 1.00 0.16 H new ATOM 0 HG2 MET B 30 22.991 28.505 16.936 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.977 27.367 17.832 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.911 29.487 17.657 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.534 28.794 18.546 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.782 27.724 17.864 1.00 0.22 H new ATOM 1805 N TYR B 31 23.963 24.132 13.905 1.00 0.08 N ATOM 1806 CA TYR B 31 23.435 22.898 13.264 1.00 0.08 C ATOM 1807 C TYR B 31 24.363 21.726 13.591 1.00 0.08 C ATOM 1808 O TYR B 31 23.922 20.657 13.962 1.00 0.09 O ATOM 1809 CB TYR B 31 23.378 23.107 11.745 1.00 0.09 C ATOM 1810 CG TYR B 31 23.045 21.806 11.054 1.00 0.09 C ATOM 1811 CD1 TYR B 31 21.713 21.401 10.928 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.072 21.008 10.534 1.00 0.10 C ATOM 1813 CE1 TYR B 31 21.405 20.196 10.285 1.00 0.11 C ATOM 1814 CE2 TYR B 31 23.766 19.804 9.890 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.432 19.397 9.765 1.00 0.11 C ATOM 1816 OH TYR B 31 22.130 18.211 9.129 1.00 0.13 O ATOM 0 H TYR B 31 24.385 24.803 13.263 1.00 0.08 H new ATOM 0 HA TYR B 31 22.434 22.682 13.638 1.00 0.08 H new ATOM 0 HB2 TYR B 31 22.628 23.859 11.502 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.336 23.484 11.386 1.00 0.09 H new ATOM 0 HD1 TYR B 31 20.921 22.018 11.327 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.101 21.322 10.630 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.376 19.882 10.190 1.00 0.11 H new ATOM 0 HE2 TYR B 31 24.558 19.189 9.490 1.00 0.11 H new ATOM 0 HH TYR B 31 22.958 17.781 8.828 1.00 0.13 H new ATOM 1826 N VAL B 32 25.648 21.920 13.458 1.00 0.08 N ATOM 1827 CA VAL B 32 26.600 20.817 13.764 1.00 0.08 C ATOM 1828 C VAL B 32 26.607 20.560 15.268 1.00 0.08 C ATOM 1829 O VAL B 32 26.438 19.444 15.718 1.00 0.10 O ATOM 1830 CB VAL B 32 28.010 21.206 13.317 1.00 0.08 C ATOM 1831 CG1 VAL B 32 28.970 20.053 13.623 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.011 21.499 11.811 1.00 0.08 C ATOM 0 H VAL B 32 26.077 22.793 13.151 1.00 0.08 H new ATOM 0 HA VAL B 32 26.288 19.918 13.233 1.00 0.08 H new ATOM 0 HB VAL B 32 28.332 22.099 13.853 1.00 0.08 H new ATOM 0 HG11 VAL B 32 29.977 20.324 13.306 1.00 0.08 H new ATOM 0 HG12 VAL B 32 28.968 19.852 14.694 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.649 19.160 13.086 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.017 21.776 11.495 1.00 0.08 H new ATOM 0 HG22 VAL B 32 27.692 20.610 11.267 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.325 22.320 11.600 1.00 0.08 H new ATOM 1842 N ILE B 33 26.799 21.592 16.046 1.00 0.08 N ATOM 1843 CA ILE B 33 26.817 21.445 17.527 1.00 0.08 C ATOM 1844 C ILE B 33 25.674 20.506 17.958 1.00 0.09 C ATOM 1845 O ILE B 33 25.886 19.555 18.683 1.00 0.10 O ATOM 1846 CB ILE B 33 26.682 22.857 18.111 1.00 0.08 C ATOM 1847 CG1 ILE B 33 27.928 23.647 17.695 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.591 22.839 19.636 1.00 0.09 C ATOM 1849 CD1 ILE B 33 27.945 25.024 18.358 1.00 0.08 C ATOM 0 H ILE B 33 26.946 22.544 15.711 1.00 0.08 H new ATOM 0 HA ILE B 33 27.740 20.996 17.894 1.00 0.08 H new ATOM 0 HB ILE B 33 25.766 23.311 17.734 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.825 23.093 17.974 1.00 0.09 H new ATOM 0 HG13 ILE B 33 27.947 23.760 16.611 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.497 23.860 20.007 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.720 22.260 19.942 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.492 22.385 20.049 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.838 25.566 18.048 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.059 25.583 18.058 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.950 24.906 19.442 1.00 0.08 H new ATOM 1861 N LEU B 34 24.480 20.736 17.484 1.00 0.08 N ATOM 1862 CA LEU B 34 23.345 19.825 17.829 1.00 0.09 C ATOM 1863 C LEU B 34 23.602 18.458 17.165 1.00 0.12 C ATOM 1864 O LEU B 34 23.529 17.426 17.800 1.00 0.16 O ATOM 1865 CB LEU B 34 22.033 20.449 17.271 1.00 0.10 C ATOM 1866 CG LEU B 34 21.127 21.136 18.354 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.895 21.560 19.621 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.479 22.381 17.733 1.00 0.11 C ATOM 0 H LEU B 34 24.239 21.515 16.872 1.00 0.08 H new ATOM 0 HA LEU B 34 23.258 19.695 18.908 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.291 21.186 16.511 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.456 19.668 16.775 1.00 0.10 H new ATOM 0 HG LEU B 34 20.385 20.399 18.663 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.206 22.027 20.325 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.346 20.682 20.084 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.676 22.271 19.352 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.846 22.870 18.474 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.257 23.072 17.408 1.00 0.11 H new ATOM 0 HD23 LEU B 34 19.873 22.087 16.876 1.00 0.11 H new ATOM 1880 N LYS B 35 23.890 18.448 15.893 1.00 0.13 N ATOM 1881 CA LYS B 35 24.137 17.154 15.186 1.00 0.17 C ATOM 1882 C LYS B 35 25.122 16.296 15.981 1.00 0.19 C ATOM 1883 O LYS B 35 25.018 15.086 16.013 1.00 0.28 O ATOM 1884 CB LYS B 35 24.720 17.437 13.799 1.00 0.16 C ATOM 1885 CG LYS B 35 24.634 16.174 12.939 1.00 0.19 C ATOM 1886 CD LYS B 35 25.489 16.352 11.682 1.00 0.26 C ATOM 1887 CE LYS B 35 25.174 15.234 10.686 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.000 15.417 9.459 1.00 1.58 N ATOM 0 H LYS B 35 23.966 19.281 15.309 1.00 0.13 H new ATOM 0 HA LYS B 35 23.193 16.617 15.091 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.174 18.251 13.323 1.00 0.16 H new ATOM 0 HB3 LYS B 35 25.758 17.759 13.888 1.00 0.16 H new ATOM 0 HG2 LYS B 35 24.979 15.310 13.507 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.598 15.980 12.662 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.290 17.323 11.229 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.547 16.333 11.944 1.00 0.26 H new ATOM 0 HE2 LYS B 35 25.381 14.263 11.135 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.115 15.248 10.430 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 25.787 14.658 8.781 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 25.782 16.338 9.028 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 27.008 15.383 9.711 1.00 1.58 H new ATOM 1902 N ASP B 36 26.079 16.907 16.619 1.00 0.23 N ATOM 1903 CA ASP B 36 27.073 16.119 17.404 1.00 0.28 C ATOM 1904 C ASP B 36 26.531 15.873 18.811 1.00 0.26 C ATOM 1905 O ASP B 36 26.674 14.802 19.367 1.00 0.39 O ATOM 1906 CB ASP B 36 28.378 16.912 17.498 1.00 0.34 C ATOM 1907 CG ASP B 36 29.137 16.831 16.170 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.870 15.916 15.408 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.975 17.687 15.939 1.00 1.96 O ATOM 0 H ASP B 36 26.218 17.917 16.632 1.00 0.23 H new ATOM 0 HA ASP B 36 27.254 15.164 16.912 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.164 17.953 17.741 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.996 16.517 18.304 1.00 0.34 H new ATOM 1914 N ALA B 37 25.921 16.862 19.393 1.00 0.21 N ATOM 1915 CA ALA B 37 25.378 16.704 20.766 1.00 0.21 C ATOM 1916 C ALA B 37 24.066 15.931 20.720 1.00 0.20 C ATOM 1917 O ALA B 37 23.158 16.196 21.483 1.00 0.24 O ATOM 1918 CB ALA B 37 25.110 18.087 21.330 1.00 0.22 C ATOM 0 H ALA B 37 25.774 17.780 18.974 1.00 0.21 H new ATOM 0 HA ALA B 37 26.092 16.162 21.386 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.710 17.997 22.340 1.00 0.22 H new ATOM 0 HB2 ALA B 37 26.040 18.655 21.358 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.388 18.604 20.698 1.00 0.22 H new ATOM 1924 N ASP B 38 23.938 14.990 19.832 1.00 0.20 N ATOM 1925 CA ASP B 38 22.660 14.235 19.758 1.00 0.21 C ATOM 1926 C ASP B 38 21.521 15.250 19.640 1.00 0.18 C ATOM 1927 O ASP B 38 20.373 14.964 19.919 1.00 0.21 O ATOM 1928 CB ASP B 38 22.496 13.395 21.034 1.00 0.28 C ATOM 1929 CG ASP B 38 21.592 12.190 20.754 1.00 1.00 C ATOM 1930 OD1 ASP B 38 20.679 12.331 19.957 1.00 1.59 O ATOM 1931 OD2 ASP B 38 21.829 11.147 21.342 1.00 1.86 O ATOM 0 H ASP B 38 24.654 14.712 19.161 1.00 0.20 H new ATOM 0 HA ASP B 38 22.651 13.566 18.898 1.00 0.21 H new ATOM 0 HB2 ASP B 38 23.471 13.055 21.384 1.00 0.28 H new ATOM 0 HB3 ASP B 38 22.067 14.005 21.829 1.00 0.28 H new ATOM 1936 N ALA B 39 21.857 16.444 19.238 1.00 0.14 N ATOM 1937 CA ALA B 39 20.848 17.522 19.098 1.00 0.14 C ATOM 1938 C ALA B 39 20.222 17.825 20.459 1.00 0.15 C ATOM 1939 O ALA B 39 19.189 18.458 20.549 1.00 0.18 O ATOM 1940 CB ALA B 39 19.767 17.103 18.106 1.00 0.16 C ATOM 0 H ALA B 39 22.809 16.720 18.997 1.00 0.14 H new ATOM 0 HA ALA B 39 21.338 18.421 18.723 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.031 17.902 18.011 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.221 16.910 17.134 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.276 16.198 18.464 1.00 0.16 H new ATOM 1946 N ASN B 40 20.845 17.391 21.521 1.00 0.15 N ATOM 1947 CA ASN B 40 20.288 17.673 22.875 1.00 0.18 C ATOM 1948 C ASN B 40 20.717 19.080 23.296 1.00 0.15 C ATOM 1949 O ASN B 40 21.812 19.289 23.779 1.00 0.15 O ATOM 1950 CB ASN B 40 20.829 16.646 23.876 1.00 0.23 C ATOM 1951 CG ASN B 40 19.973 16.666 25.144 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.144 17.653 25.341 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 20.060 15.773 25.963 1.00 1.32 N flip ATOM 0 H ASN B 40 21.713 16.855 21.510 1.00 0.15 H new ATOM 0 HA ASN B 40 19.200 17.608 22.853 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.818 15.650 23.433 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.866 16.874 24.122 1.00 0.23 H new ATOM 0 HD21 ASN B 40 20.709 15.001 25.809 1.00 1.32 H new ATOM 0 HD22 ASN B 40 19.485 15.795 26.805 1.00 1.32 H new ATOM 1960 N ILE B 41 19.865 20.048 23.104 1.00 0.15 N ATOM 1961 CA ILE B 41 20.222 21.444 23.476 1.00 0.15 C ATOM 1962 C ILE B 41 20.829 21.478 24.882 1.00 0.15 C ATOM 1963 O ILE B 41 21.816 22.145 25.119 1.00 0.14 O ATOM 1964 CB ILE B 41 18.963 22.320 23.392 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.680 22.597 21.904 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.183 23.638 24.158 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.416 23.439 21.745 1.00 0.24 C ATOM 0 H ILE B 41 18.934 19.931 22.704 1.00 0.15 H new ATOM 0 HA ILE B 41 20.970 21.833 22.785 1.00 0.15 H new ATOM 0 HB ILE B 41 18.112 21.811 23.845 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.528 23.116 21.458 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.565 21.655 21.368 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.284 24.252 24.092 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.397 23.419 25.204 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.023 24.177 23.721 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.233 23.624 20.687 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.567 22.905 22.172 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.545 24.390 22.263 1.00 0.24 H new ATOM 1979 N GLU B 42 20.265 20.768 25.814 1.00 0.17 N ATOM 1980 CA GLU B 42 20.837 20.778 27.185 1.00 0.17 C ATOM 1981 C GLU B 42 22.321 20.429 27.106 1.00 0.16 C ATOM 1982 O GLU B 42 23.147 21.049 27.741 1.00 0.18 O ATOM 1983 CB GLU B 42 20.107 19.756 28.058 1.00 0.20 C ATOM 1984 CG GLU B 42 18.685 20.245 28.333 1.00 0.30 C ATOM 1985 CD GLU B 42 17.935 19.197 29.156 1.00 1.03 C ATOM 1986 OE1 GLU B 42 18.156 19.146 30.355 1.00 1.78 O ATOM 1987 OE2 GLU B 42 17.152 18.464 28.574 1.00 1.65 O ATOM 0 H GLU B 42 19.438 20.185 25.688 1.00 0.17 H new ATOM 0 HA GLU B 42 20.717 21.767 27.627 1.00 0.17 H new ATOM 0 HB2 GLU B 42 20.080 18.788 27.558 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.643 19.615 28.997 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.713 21.193 28.870 1.00 0.30 H new ATOM 0 HG3 GLU B 42 18.163 20.426 27.393 1.00 0.30 H new ATOM 1994 N GLU B 43 22.668 19.449 26.321 1.00 0.16 N ATOM 1995 CA GLU B 43 24.104 19.077 26.195 1.00 0.16 C ATOM 1996 C GLU B 43 24.816 20.122 25.340 1.00 0.14 C ATOM 1997 O GLU B 43 25.811 20.688 25.737 1.00 0.20 O ATOM 1998 CB GLU B 43 24.238 17.709 25.516 1.00 0.18 C ATOM 1999 CG GLU B 43 25.697 17.220 25.605 1.00 0.30 C ATOM 2000 CD GLU B 43 25.937 16.544 26.958 1.00 1.21 C ATOM 2001 OE1 GLU B 43 25.520 15.408 27.114 1.00 1.96 O ATOM 2002 OE2 GLU B 43 26.535 17.175 27.815 1.00 1.89 O ATOM 0 H GLU B 43 22.022 18.891 25.763 1.00 0.16 H new ATOM 0 HA GLU B 43 24.549 19.031 27.189 1.00 0.16 H new ATOM 0 HB2 GLU B 43 23.574 16.989 25.995 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.932 17.780 24.472 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.905 16.519 24.796 1.00 0.30 H new ATOM 0 HG3 GLU B 43 26.380 18.061 25.482 1.00 0.30 H new ATOM 2009 N ALA B 44 24.322 20.365 24.159 1.00 0.12 N ATOM 2010 CA ALA B 44 24.982 21.353 23.263 1.00 0.12 C ATOM 2011 C ALA B 44 25.180 22.693 23.982 1.00 0.12 C ATOM 2012 O ALA B 44 26.259 23.250 23.979 1.00 0.14 O ATOM 2013 CB ALA B 44 24.131 21.550 21.997 1.00 0.13 C ATOM 0 H ALA B 44 23.488 19.921 23.775 1.00 0.12 H new ATOM 0 HA ALA B 44 25.964 20.971 22.983 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.616 22.274 21.342 1.00 0.13 H new ATOM 0 HB2 ALA B 44 24.030 20.599 21.475 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.143 21.917 22.276 1.00 0.13 H new ATOM 2019 N SER B 45 24.156 23.224 24.582 1.00 0.12 N ATOM 2020 CA SER B 45 24.312 24.533 25.276 1.00 0.16 C ATOM 2021 C SER B 45 25.387 24.425 26.357 1.00 0.15 C ATOM 2022 O SER B 45 25.956 25.413 26.778 1.00 0.16 O ATOM 2023 CB SER B 45 22.987 24.938 25.920 1.00 0.19 C ATOM 2024 OG SER B 45 23.240 25.855 26.976 1.00 0.82 O ATOM 0 H SER B 45 23.223 22.814 24.624 1.00 0.12 H new ATOM 0 HA SER B 45 24.608 25.286 24.546 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.332 25.393 25.177 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.471 24.057 26.303 1.00 0.19 H new ATOM 0 HG SER B 45 22.392 26.118 27.391 1.00 0.82 H new ATOM 2030 N ARG B 46 25.656 23.238 26.827 1.00 0.17 N ATOM 2031 CA ARG B 46 26.679 23.074 27.902 1.00 0.20 C ATOM 2032 C ARG B 46 28.095 22.997 27.307 1.00 0.17 C ATOM 2033 O ARG B 46 29.062 23.264 27.993 1.00 0.23 O ATOM 2034 CB ARG B 46 26.358 21.808 28.706 1.00 0.24 C ATOM 2035 CG ARG B 46 25.101 22.067 29.562 1.00 0.84 C ATOM 2036 CD ARG B 46 24.473 20.747 30.040 1.00 1.21 C ATOM 2037 NE ARG B 46 25.152 20.294 31.285 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.594 19.385 32.038 1.00 2.08 C ATOM 2039 NH1 ARG B 46 23.445 18.870 31.695 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.186 18.991 33.132 1.00 2.80 N ATOM 0 H ARG B 46 25.213 22.374 26.514 1.00 0.17 H new ATOM 0 HA ARG B 46 26.649 23.941 28.562 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.190 20.967 28.034 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.201 21.543 29.344 1.00 0.24 H new ATOM 0 HG2 ARG B 46 25.364 22.681 30.424 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.371 22.631 28.980 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.408 20.885 30.224 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.567 19.986 29.265 1.00 1.21 H new ATOM 0 HE ARG B 46 26.052 20.693 31.550 1.00 1.63 H new ATOM 0 HH11 ARG B 46 22.983 19.178 30.839 1.00 2.50 H new ATOM 0 HH12 ARG B 46 23.009 18.160 32.283 1.00 2.50 H new ATOM 0 HH21 ARG B 46 26.085 19.393 33.399 1.00 2.80 H new ATOM 0 HH22 ARG B 46 24.750 18.281 33.720 1.00 2.80 H new ATOM 2054 N ARG B 47 28.245 22.666 26.040 1.00 0.13 N ATOM 2055 CA ARG B 47 29.634 22.624 25.453 1.00 0.12 C ATOM 2056 C ARG B 47 29.991 24.040 24.994 1.00 0.11 C ATOM 2057 O ARG B 47 31.086 24.515 25.218 1.00 0.12 O ATOM 2058 CB ARG B 47 29.807 21.604 24.266 1.00 0.15 C ATOM 2059 CG ARG B 47 28.460 21.044 23.724 1.00 0.32 C ATOM 2060 CD ARG B 47 28.587 19.553 23.322 1.00 0.54 C ATOM 2061 NE ARG B 47 29.160 19.369 21.942 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.531 19.759 20.869 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.423 20.422 20.961 1.00 1.81 N ATOM 2064 NH2 ARG B 47 29.003 19.458 19.694 1.00 1.62 N ATOM 0 H ARG B 47 27.488 22.428 25.399 1.00 0.13 H new ATOM 0 HA ARG B 47 30.310 22.267 26.230 1.00 0.12 H new ATOM 0 HB2 ARG B 47 30.341 22.094 23.452 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.428 20.773 24.600 1.00 0.15 H new ATOM 0 HG2 ARG B 47 27.687 21.152 24.485 1.00 0.32 H new ATOM 0 HG3 ARG B 47 28.142 21.629 22.861 1.00 0.32 H new ATOM 0 HD2 ARG B 47 29.220 19.039 24.045 1.00 0.54 H new ATOM 0 HD3 ARG B 47 27.604 19.084 23.368 1.00 0.54 H new ATOM 0 HE ARG B 47 30.072 18.924 21.843 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.036 20.643 21.878 1.00 1.81 H new ATOM 0 HH12 ARG B 47 26.937 20.723 20.116 1.00 1.81 H new ATOM 0 HH21 ARG B 47 29.864 18.917 19.614 1.00 1.62 H new ATOM 0 HH22 ARG B 47 28.512 19.763 18.854 1.00 1.62 H new ATOM 2078 N ILE B 48 29.071 24.730 24.376 1.00 0.10 N ATOM 2079 CA ILE B 48 29.370 26.121 23.940 1.00 0.09 C ATOM 2080 C ILE B 48 29.824 26.909 25.162 1.00 0.10 C ATOM 2081 O ILE B 48 30.904 27.463 25.195 1.00 0.10 O ATOM 2082 CB ILE B 48 28.121 26.763 23.347 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.558 25.845 22.255 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.505 28.113 22.743 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.248 26.411 21.692 1.00 0.10 C ATOM 0 H ILE B 48 28.134 24.393 24.156 1.00 0.10 H new ATOM 0 HA ILE B 48 30.149 26.117 23.178 1.00 0.09 H new ATOM 0 HB ILE B 48 27.365 26.909 24.119 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.288 25.737 21.452 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.384 24.850 22.664 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.621 28.585 22.314 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.918 28.755 23.521 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.251 27.963 21.962 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.866 25.744 20.919 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.514 26.496 22.493 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.432 27.396 21.263 1.00 0.10 H new ATOM 2097 N GLU B 49 29.011 26.939 26.182 1.00 0.10 N ATOM 2098 CA GLU B 49 29.394 27.665 27.427 1.00 0.11 C ATOM 2099 C GLU B 49 30.803 27.242 27.819 1.00 0.11 C ATOM 2100 O GLU B 49 31.719 28.039 27.862 1.00 0.12 O ATOM 2101 CB GLU B 49 28.444 27.268 28.550 1.00 0.13 C ATOM 2102 CG GLU B 49 27.098 27.968 28.366 1.00 0.14 C ATOM 2103 CD GLU B 49 26.212 27.699 29.584 1.00 0.16 C ATOM 2104 OE1 GLU B 49 26.525 26.784 30.329 1.00 1.10 O ATOM 2105 OE2 GLU B 49 25.236 28.411 29.751 1.00 1.07 O ATOM 0 H GLU B 49 28.095 26.491 26.207 1.00 0.10 H new ATOM 0 HA GLU B 49 29.347 28.741 27.259 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.304 26.187 28.554 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.875 27.537 29.514 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.248 29.040 28.242 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.609 27.607 27.461 1.00 0.14 H new ATOM 2112 N GLU B 50 30.985 25.975 28.077 1.00 0.12 N ATOM 2113 CA GLU B 50 32.338 25.482 28.434 1.00 0.12 C ATOM 2114 C GLU B 50 33.280 25.943 27.337 1.00 0.11 C ATOM 2115 O GLU B 50 34.468 26.063 27.523 1.00 0.11 O ATOM 2116 CB GLU B 50 32.332 23.954 28.510 1.00 0.14 C ATOM 2117 CG GLU B 50 33.757 23.448 28.741 1.00 0.17 C ATOM 2118 CD GLU B 50 33.714 21.981 29.172 1.00 1.14 C ATOM 2119 OE1 GLU B 50 32.978 21.677 30.097 1.00 1.97 O ATOM 2120 OE2 GLU B 50 34.418 21.187 28.571 1.00 1.78 O ATOM 0 H GLU B 50 30.254 25.264 28.055 1.00 0.12 H new ATOM 0 HA GLU B 50 32.651 25.867 29.404 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.681 23.622 29.319 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.931 23.535 27.587 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.344 23.553 27.828 1.00 0.17 H new ATOM 0 HG3 GLU B 50 34.248 24.049 29.507 1.00 0.17 H new ATOM 2127 N GLY B 51 32.729 26.234 26.194 1.00 0.10 N ATOM 2128 CA GLY B 51 33.564 26.729 25.063 1.00 0.09 C ATOM 2129 C GLY B 51 33.837 28.212 25.303 1.00 0.09 C ATOM 2130 O GLY B 51 34.969 28.646 25.385 1.00 0.10 O ATOM 0 H GLY B 51 31.733 26.151 25.992 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.499 26.172 25.006 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.048 26.584 24.114 1.00 0.09 H new ATOM 2134 N GLN B 52 32.794 28.987 25.450 1.00 0.10 N ATOM 2135 CA GLN B 52 32.965 30.445 25.725 1.00 0.11 C ATOM 2136 C GLN B 52 33.972 30.604 26.857 1.00 0.11 C ATOM 2137 O GLN B 52 34.886 31.401 26.789 1.00 0.13 O ATOM 2138 CB GLN B 52 31.618 31.037 26.147 1.00 0.13 C ATOM 2139 CG GLN B 52 30.589 30.783 25.043 1.00 0.19 C ATOM 2140 CD GLN B 52 30.893 31.680 23.845 1.00 0.54 C ATOM 2141 OE1 GLN B 52 31.658 32.618 23.952 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.320 31.432 22.701 1.00 0.74 N ATOM 0 H GLN B 52 31.826 28.671 25.391 1.00 0.10 H new ATOM 0 HA GLN B 52 33.321 30.963 24.834 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.285 30.585 27.082 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.718 32.107 26.328 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.614 29.736 24.742 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.584 30.984 25.415 1.00 0.19 H new ATOM 0 HE21 GLN B 52 29.678 30.644 22.612 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.514 32.026 21.894 1.00 0.74 H new ATOM 2151 N TYR B 53 33.815 29.833 27.891 1.00 0.11 N ATOM 2152 CA TYR B 53 34.772 29.918 29.030 1.00 0.13 C ATOM 2153 C TYR B 53 36.186 29.601 28.518 1.00 0.13 C ATOM 2154 O TYR B 53 37.123 30.328 28.782 1.00 0.16 O ATOM 2155 CB TYR B 53 34.365 28.923 30.135 1.00 0.14 C ATOM 2156 CG TYR B 53 35.536 28.679 31.068 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.523 27.761 30.704 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.642 29.378 32.275 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.618 27.534 31.538 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.741 29.154 33.116 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.731 28.232 32.746 1.00 0.25 C ATOM 2162 OH TYR B 53 38.813 28.011 33.573 1.00 0.30 O ATOM 0 H TYR B 53 33.068 29.147 28.000 1.00 0.11 H new ATOM 0 HA TYR B 53 34.757 30.923 29.451 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.518 29.316 30.696 1.00 0.14 H new ATOM 0 HB3 TYR B 53 34.043 27.982 29.689 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.438 27.223 29.771 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.879 30.088 32.558 1.00 0.22 H new ATOM 0 HE1 TYR B 53 38.377 26.821 31.252 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.825 29.691 34.049 1.00 0.26 H new ATOM 0 HH TYR B 53 38.737 28.577 34.369 1.00 0.30 H new ATOM 2172 N VAL B 54 36.354 28.522 27.797 1.00 0.11 N ATOM 2173 CA VAL B 54 37.718 28.183 27.292 1.00 0.12 C ATOM 2174 C VAL B 54 38.292 29.393 26.565 1.00 0.12 C ATOM 2175 O VAL B 54 39.254 29.991 26.991 1.00 0.13 O ATOM 2176 CB VAL B 54 37.661 27.002 26.304 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.078 26.753 25.765 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.129 25.713 26.990 1.00 0.12 C ATOM 0 H VAL B 54 35.615 27.868 27.539 1.00 0.11 H new ATOM 0 HA VAL B 54 38.342 27.906 28.141 1.00 0.12 H new ATOM 0 HB VAL B 54 36.977 27.251 25.493 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.059 25.920 25.063 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.436 27.648 25.256 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.746 26.515 26.593 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.102 24.900 26.265 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.788 25.442 27.815 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.124 25.892 27.372 1.00 0.12 H new ATOM 2188 N VAL B 55 37.704 29.759 25.468 1.00 0.11 N ATOM 2189 CA VAL B 55 38.214 30.927 24.708 1.00 0.11 C ATOM 2190 C VAL B 55 38.346 32.123 25.651 1.00 0.14 C ATOM 2191 O VAL B 55 39.403 32.699 25.797 1.00 0.17 O ATOM 2192 CB VAL B 55 37.227 31.261 23.583 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.817 32.342 22.667 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.948 29.994 22.769 1.00 0.10 C ATOM 0 H VAL B 55 36.889 29.299 25.062 1.00 0.11 H new ATOM 0 HA VAL B 55 39.190 30.696 24.280 1.00 0.11 H new ATOM 0 HB VAL B 55 36.299 31.635 24.016 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.108 32.572 21.872 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.015 33.243 23.248 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.748 31.980 22.230 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.247 30.224 21.967 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.880 29.624 22.341 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.519 29.231 23.419 1.00 0.10 H new ATOM 2204 N ASN B 56 37.274 32.503 26.284 1.00 0.16 N ATOM 2205 CA ASN B 56 37.323 33.672 27.212 1.00 0.20 C ATOM 2206 C ASN B 56 38.445 33.499 28.241 1.00 0.22 C ATOM 2207 O ASN B 56 39.098 34.451 28.620 1.00 0.31 O ATOM 2208 CB ASN B 56 35.985 33.794 27.944 1.00 0.26 C ATOM 2209 CG ASN B 56 36.020 35.016 28.865 1.00 0.52 C ATOM 2210 OD1 ASN B 56 37.044 35.654 29.008 1.00 1.35 O ATOM 2211 ND2 ASN B 56 34.937 35.371 29.501 1.00 0.91 N ATOM 0 H ASN B 56 36.361 32.055 26.201 1.00 0.16 H new ATOM 0 HA ASN B 56 37.516 34.572 26.629 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.172 33.890 27.225 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.792 32.892 28.525 1.00 0.26 H new ATOM 0 HD21 ASN B 56 34.951 36.184 30.117 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.077 34.836 29.382 1.00 0.91 H new ATOM 2218 N GLU B 57 38.664 32.301 28.716 1.00 0.19 N ATOM 2219 CA GLU B 57 39.733 32.083 29.741 1.00 0.22 C ATOM 2220 C GLU B 57 41.071 31.775 29.062 1.00 0.22 C ATOM 2221 O GLU B 57 42.055 32.456 29.272 1.00 0.27 O ATOM 2222 CB GLU B 57 39.335 30.901 30.633 1.00 0.25 C ATOM 2223 CG GLU B 57 40.212 30.870 31.891 1.00 0.55 C ATOM 2224 CD GLU B 57 41.624 30.409 31.522 1.00 1.65 C ATOM 2225 OE1 GLU B 57 41.740 29.389 30.863 1.00 2.43 O ATOM 2226 OE2 GLU B 57 42.566 31.085 31.903 1.00 2.39 O ATOM 0 H GLU B 57 38.151 31.464 28.440 1.00 0.19 H new ATOM 0 HA GLU B 57 39.843 32.988 30.339 1.00 0.22 H new ATOM 0 HB2 GLU B 57 38.285 30.985 30.914 1.00 0.25 H new ATOM 0 HB3 GLU B 57 39.443 29.967 30.082 1.00 0.25 H new ATOM 0 HG2 GLU B 57 40.249 31.860 32.345 1.00 0.55 H new ATOM 0 HG3 GLU B 57 39.780 30.196 32.631 1.00 0.55 H new ATOM 2233 N TYR B 58 41.120 30.744 28.267 1.00 0.20 N ATOM 2234 CA TYR B 58 42.398 30.378 27.591 1.00 0.24 C ATOM 2235 C TYR B 58 42.921 31.578 26.786 1.00 0.24 C ATOM 2236 O TYR B 58 44.077 31.637 26.422 1.00 0.33 O ATOM 2237 CB TYR B 58 42.146 29.159 26.666 1.00 0.29 C ATOM 2238 CG TYR B 58 43.245 28.126 26.834 1.00 0.97 C ATOM 2239 CD1 TYR B 58 44.559 28.454 26.501 1.00 2.18 C ATOM 2240 CD2 TYR B 58 42.946 26.847 27.324 1.00 0.61 C ATOM 2241 CE1 TYR B 58 45.581 27.509 26.655 1.00 2.88 C ATOM 2242 CE2 TYR B 58 43.966 25.901 27.480 1.00 1.22 C ATOM 2243 CZ TYR B 58 45.284 26.232 27.146 1.00 2.36 C ATOM 2244 OH TYR B 58 46.290 25.300 27.301 1.00 3.06 O ATOM 0 H TYR B 58 40.329 30.136 28.055 1.00 0.20 H new ATOM 0 HA TYR B 58 43.152 30.111 28.332 1.00 0.24 H new ATOM 0 HB2 TYR B 58 41.180 28.712 26.900 1.00 0.29 H new ATOM 0 HB3 TYR B 58 42.103 29.486 25.627 1.00 0.29 H new ATOM 0 HD1 TYR B 58 44.789 29.439 26.123 1.00 2.18 H new ATOM 0 HD2 TYR B 58 41.929 26.592 27.581 1.00 0.61 H new ATOM 0 HE1 TYR B 58 46.598 27.765 26.395 1.00 2.88 H new ATOM 0 HE2 TYR B 58 43.736 24.916 27.858 1.00 1.22 H new ATOM 0 HH TYR B 58 46.890 25.335 26.527 1.00 3.06 H new ATOM 2254 N SER B 59 42.081 32.533 26.509 1.00 0.27 N ATOM 2255 CA SER B 59 42.536 33.718 25.730 1.00 0.34 C ATOM 2256 C SER B 59 43.497 34.556 26.579 1.00 0.37 C ATOM 2257 O SER B 59 44.623 34.804 26.197 1.00 0.52 O ATOM 2258 CB SER B 59 41.325 34.568 25.343 1.00 0.41 C ATOM 2259 OG SER B 59 40.653 33.957 24.249 1.00 1.45 O ATOM 0 H SER B 59 41.100 32.546 26.787 1.00 0.27 H new ATOM 0 HA SER B 59 43.050 33.382 24.829 1.00 0.34 H new ATOM 0 HB2 SER B 59 40.648 34.665 26.192 1.00 0.41 H new ATOM 0 HB3 SER B 59 41.644 35.575 25.073 1.00 0.41 H new ATOM 0 HG SER B 59 40.261 33.107 24.539 1.00 1.45 H new ATOM 2265 N ARG B 60 43.057 34.999 27.725 1.00 0.42 N ATOM 2266 CA ARG B 60 43.940 35.828 28.594 1.00 0.54 C ATOM 2267 C ARG B 60 45.260 35.096 28.839 1.00 0.61 C ATOM 2268 O ARG B 60 46.253 35.695 29.202 1.00 0.78 O ATOM 2269 CB ARG B 60 43.242 36.083 29.932 1.00 0.66 C ATOM 2270 CG ARG B 60 41.982 36.921 29.698 1.00 0.93 C ATOM 2271 CD ARG B 60 41.485 37.483 31.031 1.00 1.26 C ATOM 2272 NE ARG B 60 40.251 38.287 30.800 1.00 1.94 N ATOM 2273 CZ ARG B 60 39.489 38.618 31.806 1.00 2.56 C ATOM 2274 NH1 ARG B 60 39.806 38.248 33.016 1.00 2.77 N ATOM 2275 NH2 ARG B 60 38.407 39.319 31.601 1.00 3.52 N ATOM 0 H ARG B 60 42.124 34.823 28.097 1.00 0.42 H new ATOM 0 HA ARG B 60 44.143 36.778 28.100 1.00 0.54 H new ATOM 0 HB2 ARG B 60 42.980 35.136 30.404 1.00 0.66 H new ATOM 0 HB3 ARG B 60 43.916 36.603 30.613 1.00 0.66 H new ATOM 0 HG2 ARG B 60 42.198 37.735 29.006 1.00 0.93 H new ATOM 0 HG3 ARG B 60 41.206 36.309 29.238 1.00 0.93 H new ATOM 0 HD2 ARG B 60 41.278 36.670 31.726 1.00 1.26 H new ATOM 0 HD3 ARG B 60 42.257 38.103 31.487 1.00 1.26 H new ATOM 0 HE ARG B 60 40.002 38.579 29.855 1.00 1.94 H new ATOM 0 HH11 ARG B 60 40.651 37.699 33.177 1.00 2.77 H new ATOM 0 HH12 ARG B 60 39.209 38.508 33.801 1.00 2.77 H new ATOM 0 HH21 ARG B 60 38.158 39.608 30.655 1.00 3.52 H new ATOM 0 HH22 ARG B 60 37.811 39.578 32.387 1.00 3.52 H new ATOM 2289 N GLN B 61 45.283 33.807 28.645 1.00 0.61 N ATOM 2290 CA GLN B 61 46.543 33.046 28.867 1.00 0.76 C ATOM 2291 C GLN B 61 47.493 33.284 27.692 1.00 0.85 C ATOM 2292 O GLN B 61 48.697 33.180 27.824 1.00 1.06 O ATOM 2293 CB GLN B 61 46.227 31.552 28.973 1.00 0.79 C ATOM 2294 CG GLN B 61 45.340 31.302 30.195 1.00 1.26 C ATOM 2295 CD GLN B 61 46.139 31.575 31.471 1.00 1.65 C ATOM 2296 OE1 GLN B 61 47.395 31.227 31.528 1.00 2.28 O flip ATOM 2297 NE2 GLN B 61 45.614 32.112 32.426 1.00 2.31 N flip ATOM 0 H GLN B 61 44.485 33.249 28.343 1.00 0.61 H new ATOM 0 HA GLN B 61 47.013 33.383 29.791 1.00 0.76 H new ATOM 0 HB2 GLN B 61 45.723 31.211 28.069 1.00 0.79 H new ATOM 0 HB3 GLN B 61 47.151 30.979 29.058 1.00 0.79 H new ATOM 0 HG2 GLN B 61 44.462 31.947 30.158 1.00 1.26 H new ATOM 0 HG3 GLN B 61 44.980 30.273 30.192 1.00 1.26 H new ATOM 0 HE21 GLN B 61 44.632 32.384 32.382 1.00 2.31 H new ATOM 0 HE22 GLN B 61 46.155 32.291 33.272 1.00 2.31 H new ATOM 2306 N HIS B 62 46.961 33.601 26.540 1.00 0.79 N ATOM 2307 CA HIS B 62 47.831 33.846 25.349 1.00 0.97 C ATOM 2308 C HIS B 62 48.141 35.340 25.234 1.00 1.01 C ATOM 2309 O HIS B 62 49.280 35.754 25.318 1.00 1.27 O ATOM 2310 CB HIS B 62 47.105 33.378 24.084 1.00 1.05 C ATOM 2311 CG HIS B 62 47.127 31.875 24.018 1.00 1.28 C ATOM 2312 ND1 HIS B 62 48.242 31.135 24.393 1.00 1.77 N ATOM 2313 CD2 HIS B 62 46.184 30.958 23.623 1.00 1.57 C ATOM 2314 CE1 HIS B 62 47.944 29.834 24.218 1.00 1.97 C ATOM 2315 NE2 HIS B 62 46.705 29.676 23.752 1.00 1.83 N ATOM 0 H HIS B 62 45.960 33.701 26.372 1.00 0.79 H new ATOM 0 HA HIS B 62 48.763 33.292 25.463 1.00 0.97 H new ATOM 0 HB2 HIS B 62 46.076 33.737 24.089 1.00 1.05 H new ATOM 0 HB3 HIS B 62 47.585 33.798 23.200 1.00 1.05 H new ATOM 0 HD1 HIS B 62 49.126 31.510 24.738 1.00 1.77 H new ATOM 0 HD2 HIS B 62 45.192 31.196 23.268 1.00 1.57 H new ATOM 0 HE1 HIS B 62 48.623 29.021 24.429 1.00 1.97 H new ATOM 2323 N ASN B 63 47.140 36.156 25.036 1.00 1.00 N ATOM 2324 CA ASN B 63 47.389 37.623 24.910 1.00 1.16 C ATOM 2325 C ASN B 63 46.131 38.400 25.311 1.00 1.28 C ATOM 2326 O ASN B 63 45.695 38.345 26.443 1.00 1.86 O ATOM 2327 CB ASN B 63 47.754 37.949 23.460 1.00 1.33 C ATOM 2328 CG ASN B 63 48.914 37.057 23.013 1.00 1.93 C ATOM 2329 OD1 ASN B 63 50.057 37.327 23.323 1.00 2.59 O ATOM 2330 ND2 ASN B 63 48.666 35.996 22.294 1.00 2.66 N ATOM 0 H ASN B 63 46.164 35.872 24.956 1.00 1.00 H new ATOM 0 HA ASN B 63 48.209 37.910 25.568 1.00 1.16 H new ATOM 0 HB2 ASN B 63 46.891 37.793 22.813 1.00 1.33 H new ATOM 0 HB3 ASN B 63 48.033 38.999 23.371 1.00 1.33 H new ATOM 0 HD21 ASN B 63 49.432 35.394 21.993 1.00 2.66 H new ATOM 0 HD22 ASN B 63 47.706 35.769 22.034 1.00 2.66 H new ATOM 2337 N LEU B 64 45.552 39.127 24.390 1.00 1.29 N ATOM 2338 CA LEU B 64 44.325 39.920 24.702 1.00 1.43 C ATOM 2339 C LEU B 64 44.591 40.843 25.898 1.00 1.74 C ATOM 2340 O LEU B 64 44.856 42.017 25.735 1.00 2.20 O ATOM 2341 CB LEU B 64 43.156 38.975 25.019 1.00 1.43 C ATOM 2342 CG LEU B 64 42.578 38.388 23.717 1.00 1.54 C ATOM 2343 CD1 LEU B 64 41.852 39.476 22.897 1.00 1.59 C ATOM 2344 CD2 LEU B 64 43.713 37.780 22.883 1.00 2.41 C ATOM 0 H LEU B 64 45.880 39.206 23.427 1.00 1.29 H new ATOM 0 HA LEU B 64 44.064 40.527 23.835 1.00 1.43 H new ATOM 0 HB2 LEU B 64 43.496 38.170 25.670 1.00 1.43 H new ATOM 0 HB3 LEU B 64 42.379 39.515 25.560 1.00 1.43 H new ATOM 0 HG LEU B 64 41.855 37.614 23.975 1.00 1.54 H new ATOM 0 HD11 LEU B 64 41.453 39.037 21.983 1.00 1.59 H new ATOM 0 HD12 LEU B 64 41.035 39.892 23.487 1.00 1.59 H new ATOM 0 HD13 LEU B 64 42.555 40.269 22.642 1.00 1.59 H new ATOM 0 HD21 LEU B 64 43.305 37.364 21.962 1.00 2.41 H new ATOM 0 HD22 LEU B 64 44.441 38.554 22.641 1.00 2.41 H new ATOM 0 HD23 LEU B 64 44.200 36.989 23.453 1.00 2.41 H new ATOM 2356 N ASN B 65 44.521 40.331 27.099 1.00 2.14 N ATOM 2357 CA ASN B 65 44.771 41.197 28.289 1.00 2.59 C ATOM 2358 C ASN B 65 45.163 40.332 29.489 1.00 3.01 C ATOM 2359 O ASN B 65 44.375 39.555 29.991 1.00 3.52 O ATOM 2360 CB ASN B 65 43.500 41.983 28.623 1.00 3.25 C ATOM 2361 CG ASN B 65 43.719 42.787 29.906 1.00 3.82 C ATOM 2362 OD1 ASN B 65 44.166 43.916 29.860 1.00 4.30 O ATOM 2363 ND2 ASN B 65 43.422 42.250 31.057 1.00 4.34 N ATOM 0 H ASN B 65 44.303 39.356 27.307 1.00 2.14 H new ATOM 0 HA ASN B 65 45.583 41.889 28.064 1.00 2.59 H new ATOM 0 HB2 ASN B 65 43.247 42.652 27.801 1.00 3.25 H new ATOM 0 HB3 ASN B 65 42.660 41.300 28.748 1.00 3.25 H new ATOM 0 HD21 ASN B 65 43.565 42.778 31.918 1.00 4.34 H new ATOM 0 HD22 ASN B 65 43.047 41.302 31.096 1.00 4.34 H new ATOM 2370 N ILE B 66 46.379 40.466 29.954 1.00 0.00 N ATOM 2371 CA ILE B 66 46.839 39.661 31.126 1.00 0.00 C ATOM 2372 C ILE B 66 46.777 40.527 32.386 1.00 0.00 C ATOM 2373 O ILE B 66 46.787 40.029 33.495 1.00 0.00 O ATOM 2374 CB ILE B 66 48.284 39.207 30.896 1.00 0.00 C ATOM 2375 CG1 ILE B 66 48.373 38.396 29.592 1.00 0.00 C ATOM 2376 CG2 ILE B 66 48.727 38.327 32.066 1.00 0.00 C ATOM 2377 CD1 ILE B 66 48.192 39.304 28.361 1.00 0.00 C ATOM 0 H ILE B 66 47.077 41.102 29.570 1.00 0.00 H new ATOM 0 HA ILE B 66 46.197 38.788 31.246 1.00 0.00 H new ATOM 0 HB ILE B 66 48.930 40.082 30.823 1.00 0.00 H new ATOM 0 HG12 ILE B 66 49.339 37.893 29.538 1.00 0.00 H new ATOM 0 HG13 ILE B 66 47.608 37.619 29.590 1.00 0.00 H new ATOM 0 HG21 ILE B 66 49.755 38.001 31.907 1.00 0.00 H new ATOM 0 HG22 ILE B 66 48.666 38.897 32.993 1.00 0.00 H new ATOM 0 HG23 ILE B 66 48.076 37.455 32.132 1.00 0.00 H new ATOM 0 HD11 ILE B 66 48.260 38.704 27.453 1.00 0.00 H new ATOM 0 HD12 ILE B 66 47.216 39.787 28.405 1.00 0.00 H new ATOM 0 HD13 ILE B 66 48.973 40.065 28.352 1.00 0.00 H new ATOM 2389 N TYR B 67 46.714 41.822 32.225 1.00 0.00 N ATOM 2390 CA TYR B 67 46.653 42.725 33.412 1.00 0.00 C ATOM 2391 C TYR B 67 45.943 44.025 33.026 1.00 0.00 C ATOM 2392 O TYR B 67 45.475 44.182 31.917 1.00 0.00 O ATOM 2393 CB TYR B 67 48.073 43.042 33.884 1.00 0.00 C ATOM 2394 CG TYR B 67 48.823 43.749 32.781 1.00 0.00 C ATOM 2395 CD1 TYR B 67 48.698 45.135 32.627 1.00 0.00 C ATOM 2396 CD2 TYR B 67 49.642 43.019 31.911 1.00 0.00 C ATOM 2397 CE1 TYR B 67 49.392 45.791 31.604 1.00 0.00 C ATOM 2398 CE2 TYR B 67 50.336 43.675 30.888 1.00 0.00 C ATOM 2399 CZ TYR B 67 50.211 45.061 30.734 1.00 0.00 C ATOM 2400 OH TYR B 67 50.895 45.708 29.725 1.00 0.00 O ATOM 0 H TYR B 67 46.702 42.295 31.321 1.00 0.00 H new ATOM 0 HA TYR B 67 46.104 42.234 34.215 1.00 0.00 H new ATOM 0 HB2 TYR B 67 48.040 43.668 34.776 1.00 0.00 H new ATOM 0 HB3 TYR B 67 48.590 42.123 34.159 1.00 0.00 H new ATOM 0 HD1 TYR B 67 48.066 45.698 33.298 1.00 0.00 H new ATOM 0 HD2 TYR B 67 49.738 41.950 32.029 1.00 0.00 H new ATOM 0 HE1 TYR B 67 49.296 46.860 31.486 1.00 0.00 H new ATOM 0 HE2 TYR B 67 50.968 43.112 30.217 1.00 0.00 H new ATOM 0 HH TYR B 67 51.418 45.056 29.214 1.00 0.00 H new ATOM 2410 N ASP B 68 45.860 44.960 33.936 1.00 0.00 N ATOM 2411 CA ASP B 68 45.180 46.250 33.624 1.00 0.00 C ATOM 2412 C ASP B 68 45.709 47.343 34.555 1.00 0.00 C ATOM 2413 O ASP B 68 45.105 48.386 34.710 1.00 0.00 O ATOM 2414 CB ASP B 68 43.671 46.092 33.828 1.00 0.00 C ATOM 2415 CG ASP B 68 43.126 45.069 32.829 1.00 0.00 C ATOM 2416 OD1 ASP B 68 43.190 43.888 33.127 1.00 0.00 O ATOM 2417 OD2 ASP B 68 42.652 45.485 31.784 1.00 0.00 O ATOM 0 H ASP B 68 46.234 44.885 34.882 1.00 0.00 H new ATOM 0 HA ASP B 68 45.380 46.526 32.589 1.00 0.00 H new ATOM 0 HB2 ASP B 68 43.463 45.767 34.847 1.00 0.00 H new ATOM 0 HB3 ASP B 68 43.172 47.051 33.691 1.00 0.00 H new ATOM 2422 N GLY B 69 46.837 47.114 35.176 1.00 0.00 N ATOM 2423 CA GLY B 69 47.410 48.140 36.098 1.00 0.00 C ATOM 2424 C GLY B 69 48.239 47.447 37.180 1.00 0.00 C ATOM 2425 O GLY B 69 49.454 47.490 37.168 1.00 0.00 O ATOM 0 H GLY B 69 47.387 46.260 35.084 1.00 0.00 H new ATOM 0 HA2 GLY B 69 48.033 48.839 35.540 1.00 0.00 H new ATOM 0 HA3 GLY B 69 46.609 48.721 36.555 1.00 0.00 H new ATOM 2429 N GLY B 70 47.593 46.809 38.117 1.00 0.00 N ATOM 2430 CA GLY B 70 48.344 46.115 39.201 1.00 0.00 C ATOM 2431 C GLY B 70 47.355 45.516 40.201 1.00 0.00 C ATOM 2432 O GLY B 70 47.480 44.377 40.607 1.00 0.00 O ATOM 0 H GLY B 70 46.577 46.738 38.179 1.00 0.00 H new ATOM 0 HA2 GLY B 70 48.971 45.330 38.779 1.00 0.00 H new ATOM 0 HA3 GLY B 70 49.008 46.817 39.705 1.00 0.00 H new ATOM 2436 N GLU B 71 46.369 46.275 40.603 1.00 0.00 N ATOM 2437 CA GLU B 71 45.367 45.757 41.577 1.00 0.00 C ATOM 2438 C GLU B 71 44.007 46.400 41.293 1.00 0.00 C ATOM 2439 O GLU B 71 43.375 46.955 42.169 1.00 0.00 O ATOM 2440 CB GLU B 71 45.813 46.106 42.999 1.00 0.00 C ATOM 2441 CG GLU B 71 45.024 45.263 44.000 1.00 0.00 C ATOM 2442 CD GLU B 71 45.487 45.587 45.422 1.00 0.00 C ATOM 2443 OE1 GLU B 71 46.682 45.740 45.614 1.00 0.00 O ATOM 2444 OE2 GLU B 71 44.638 45.677 46.293 1.00 0.00 O ATOM 0 H GLU B 71 46.215 47.236 40.296 1.00 0.00 H new ATOM 0 HA GLU B 71 45.285 44.674 41.479 1.00 0.00 H new ATOM 0 HB2 GLU B 71 46.881 45.920 43.113 1.00 0.00 H new ATOM 0 HB3 GLU B 71 45.651 47.166 43.193 1.00 0.00 H new ATOM 0 HG2 GLU B 71 43.957 45.464 43.899 1.00 0.00 H new ATOM 0 HG3 GLU B 71 45.169 44.203 43.792 1.00 0.00 H new ATOM 2451 N LEU B 72 43.551 46.329 40.071 1.00 0.00 N ATOM 2452 CA LEU B 72 42.232 46.933 39.731 1.00 0.00 C ATOM 2453 C LEU B 72 42.192 48.384 40.222 1.00 0.00 C ATOM 2454 O LEU B 72 42.819 49.258 39.657 1.00 0.00 O ATOM 2455 CB LEU B 72 41.114 46.124 40.411 1.00 0.00 C ATOM 2456 CG LEU B 72 40.797 44.858 39.586 1.00 0.00 C ATOM 2457 CD1 LEU B 72 40.194 43.784 40.496 1.00 0.00 C ATOM 2458 CD2 LEU B 72 39.787 45.193 38.479 1.00 0.00 C ATOM 0 H LEU B 72 44.035 45.879 39.294 1.00 0.00 H new ATOM 0 HA LEU B 72 42.088 46.916 38.651 1.00 0.00 H new ATOM 0 HB2 LEU B 72 41.419 45.843 41.419 1.00 0.00 H new ATOM 0 HB3 LEU B 72 40.218 46.738 40.508 1.00 0.00 H new ATOM 0 HG LEU B 72 41.721 44.490 39.141 1.00 0.00 H new ATOM 0 HD11 LEU B 72 39.972 42.893 39.909 1.00 0.00 H new ATOM 0 HD12 LEU B 72 40.905 43.533 41.283 1.00 0.00 H new ATOM 0 HD13 LEU B 72 39.275 44.161 40.945 1.00 0.00 H new ATOM 0 HD21 LEU B 72 39.569 44.295 37.902 1.00 0.00 H new ATOM 0 HD22 LEU B 72 38.867 45.569 38.927 1.00 0.00 H new ATOM 0 HD23 LEU B 72 40.207 45.954 37.821 1.00 0.00 H new ATOM 2470 N ARG B 73 41.448 48.641 41.265 1.00 0.00 N ATOM 2471 CA ARG B 73 41.346 50.031 41.804 1.00 0.00 C ATOM 2472 C ARG B 73 42.737 50.681 41.845 1.00 0.00 C ATOM 2473 O ARG B 73 43.195 51.246 40.872 1.00 0.00 O ATOM 2474 CB ARG B 73 40.745 49.981 43.220 1.00 0.00 C ATOM 2475 CG ARG B 73 41.186 48.684 43.921 1.00 0.00 C ATOM 2476 CD ARG B 73 40.914 48.761 45.447 1.00 0.00 C ATOM 2477 NE ARG B 73 40.178 47.533 45.909 1.00 0.00 N ATOM 2478 CZ ARG B 73 39.051 47.158 45.361 1.00 0.00 C ATOM 2479 NH1 ARG B 73 38.486 47.895 44.445 1.00 0.00 N ATOM 2480 NH2 ARG B 73 38.474 46.055 45.753 1.00 0.00 N ATOM 0 H ARG B 73 40.902 47.943 41.771 1.00 0.00 H new ATOM 0 HA ARG B 73 40.702 50.627 41.157 1.00 0.00 H new ATOM 0 HB2 ARG B 73 41.072 50.847 43.796 1.00 0.00 H new ATOM 0 HB3 ARG B 73 39.657 50.026 43.166 1.00 0.00 H new ATOM 0 HG2 ARG B 73 40.652 47.835 43.494 1.00 0.00 H new ATOM 0 HG3 ARG B 73 42.248 48.513 43.745 1.00 0.00 H new ATOM 0 HD2 ARG B 73 41.856 48.853 45.987 1.00 0.00 H new ATOM 0 HD3 ARG B 73 40.328 49.652 45.674 1.00 0.00 H new ATOM 0 HE ARG B 73 40.568 46.978 46.670 1.00 0.00 H new ATOM 0 HH11 ARG B 73 38.923 48.769 44.152 1.00 0.00 H new ATOM 0 HH12 ARG B 73 37.607 47.597 44.021 1.00 0.00 H new ATOM 0 HH21 ARG B 73 38.902 45.488 46.485 1.00 0.00 H new ATOM 0 HH22 ARG B 73 37.595 45.760 45.328 1.00 0.00 H new ATOM 2494 N ASN B 74 43.409 50.613 42.963 1.00 0.00 N ATOM 2495 CA ASN B 74 44.762 51.234 43.056 1.00 0.00 C ATOM 2496 C ASN B 74 45.564 50.557 44.173 1.00 0.00 C ATOM 2497 O ASN B 74 45.824 49.371 44.130 1.00 0.00 O ATOM 2498 CB ASN B 74 44.614 52.727 43.363 1.00 0.00 C ATOM 2499 CG ASN B 74 43.850 53.409 42.227 1.00 0.00 C ATOM 2500 OD1 ASN B 74 44.259 53.352 41.084 1.00 0.00 O ATOM 2501 ND2 ASN B 74 42.749 54.058 42.494 1.00 0.00 N ATOM 0 H ASN B 74 43.081 50.156 43.814 1.00 0.00 H new ATOM 0 HA ASN B 74 45.287 51.106 42.109 1.00 0.00 H new ATOM 0 HB2 ASN B 74 44.084 52.864 44.306 1.00 0.00 H new ATOM 0 HB3 ASN B 74 45.597 53.184 43.480 1.00 0.00 H new ATOM 0 HD21 ASN B 74 42.233 54.517 41.743 1.00 0.00 H new ATOM 0 HD22 ASN B 74 42.405 54.106 43.453 1.00 0.00 H new ATOM 2508 N THR B 75 45.955 51.302 45.171 1.00 0.00 N ATOM 2509 CA THR B 75 46.737 50.712 46.292 1.00 0.00 C ATOM 2510 C THR B 75 48.160 50.390 45.814 1.00 0.00 C ATOM 2511 O THR B 75 49.059 50.195 46.608 1.00 0.00 O ATOM 2512 CB THR B 75 46.035 49.431 46.784 1.00 0.00 C ATOM 2513 OG1 THR B 75 44.639 49.545 46.550 1.00 0.00 O ATOM 2514 CG2 THR B 75 46.282 49.244 48.283 1.00 0.00 C ATOM 0 H THR B 75 45.764 52.300 45.257 1.00 0.00 H new ATOM 0 HA THR B 75 46.797 51.424 47.115 1.00 0.00 H new ATOM 0 HB THR B 75 46.434 48.572 46.245 1.00 0.00 H new ATOM 0 HG1 THR B 75 44.188 48.732 46.860 1.00 0.00 H new ATOM 0 HG21 THR B 75 45.783 48.337 48.624 1.00 0.00 H new ATOM 0 HG22 THR B 75 47.353 49.160 48.468 1.00 0.00 H new ATOM 0 HG23 THR B 75 45.886 50.102 48.827 1.00 0.00 H new ATOM 2522 N THR B 76 48.371 50.334 44.524 1.00 0.00 N ATOM 2523 CA THR B 76 49.737 50.026 43.994 1.00 0.00 C ATOM 2524 C THR B 76 50.460 51.330 43.650 1.00 0.00 C ATOM 2525 O THR B 76 50.090 52.031 42.729 1.00 0.00 O ATOM 2526 CB THR B 76 49.612 49.169 42.730 1.00 0.00 C ATOM 2527 OG1 THR B 76 49.191 49.986 41.647 1.00 0.00 O ATOM 2528 CG2 THR B 76 48.588 48.054 42.958 1.00 0.00 C ATOM 0 H THR B 76 47.657 50.488 43.813 1.00 0.00 H new ATOM 0 HA THR B 76 50.304 49.484 44.751 1.00 0.00 H new ATOM 0 HB THR B 76 50.580 48.724 42.498 1.00 0.00 H new ATOM 0 HG1 THR B 76 48.954 50.876 41.982 1.00 0.00 H new ATOM 0 HG21 THR B 76 48.503 47.448 42.056 1.00 0.00 H new ATOM 0 HG22 THR B 76 48.912 47.426 43.788 1.00 0.00 H new ATOM 0 HG23 THR B 76 47.618 48.493 43.193 1.00 0.00 H new ATOM 2536 N ARG B 77 51.492 51.661 44.380 1.00 0.00 N ATOM 2537 CA ARG B 77 52.241 52.919 44.091 1.00 0.00 C ATOM 2538 C ARG B 77 51.253 54.079 43.942 1.00 0.00 C ATOM 2539 O ARG B 77 51.416 54.948 43.109 1.00 0.00 O ATOM 2540 CB ARG B 77 53.036 52.748 42.794 1.00 0.00 C ATOM 2541 CG ARG B 77 54.161 53.793 42.725 1.00 0.00 C ATOM 2542 CD ARG B 77 54.974 53.625 41.422 1.00 0.00 C ATOM 2543 NE ARG B 77 56.439 53.753 41.712 1.00 0.00 N ATOM 2544 CZ ARG B 77 56.902 54.726 42.454 1.00 0.00 C ATOM 2545 NH1 ARG B 77 56.115 55.683 42.859 1.00 0.00 N ATOM 2546 NH2 ARG B 77 58.171 54.761 42.759 1.00 0.00 N ATOM 0 H ARG B 77 51.849 51.115 45.164 1.00 0.00 H new ATOM 0 HA ARG B 77 52.926 53.134 44.911 1.00 0.00 H new ATOM 0 HB2 ARG B 77 53.458 51.744 42.746 1.00 0.00 H new ATOM 0 HB3 ARG B 77 52.374 52.857 41.935 1.00 0.00 H new ATOM 0 HG2 ARG B 77 53.737 54.796 42.770 1.00 0.00 H new ATOM 0 HG3 ARG B 77 54.819 53.686 43.588 1.00 0.00 H new ATOM 0 HD2 ARG B 77 54.767 52.652 40.977 1.00 0.00 H new ATOM 0 HD3 ARG B 77 54.672 54.379 40.695 1.00 0.00 H new ATOM 0 HE ARG B 77 57.087 53.068 41.323 1.00 0.00 H new ATOM 0 HH11 ARG B 77 55.129 55.677 42.598 1.00 0.00 H new ATOM 0 HH12 ARG B 77 56.485 56.437 43.437 1.00 0.00 H new ATOM 0 HH21 ARG B 77 58.798 54.031 42.419 1.00 0.00 H new ATOM 0 HH22 ARG B 77 58.536 55.518 43.337 1.00 0.00 H new ATOM 2560 N GLN B 78 50.231 54.098 44.748 1.00 0.00 N ATOM 2561 CA GLN B 78 49.225 55.196 44.671 1.00 0.00 C ATOM 2562 C GLN B 78 48.742 55.506 46.084 1.00 0.00 C ATOM 2563 O GLN B 78 47.809 56.257 46.287 1.00 0.00 O ATOM 2564 CB GLN B 78 48.043 54.745 43.808 1.00 0.00 C ATOM 2565 CG GLN B 78 48.434 54.812 42.329 1.00 0.00 C ATOM 2566 CD GLN B 78 47.260 54.343 41.467 1.00 0.00 C ATOM 2567 OE1 GLN B 78 46.475 55.145 41.002 1.00 0.00 O ATOM 2568 NE2 GLN B 78 47.108 53.069 41.232 1.00 0.00 N ATOM 0 H GLN B 78 50.046 53.395 45.464 1.00 0.00 H new ATOM 0 HA GLN B 78 49.670 56.086 44.225 1.00 0.00 H new ATOM 0 HB2 GLN B 78 47.753 53.728 44.073 1.00 0.00 H new ATOM 0 HB3 GLN B 78 47.178 55.382 43.996 1.00 0.00 H new ATOM 0 HG2 GLN B 78 48.711 55.832 42.061 1.00 0.00 H new ATOM 0 HG3 GLN B 78 49.307 54.186 42.144 1.00 0.00 H new ATOM 0 HE21 GLN B 78 47.767 52.396 41.623 1.00 0.00 H new ATOM 0 HE22 GLN B 78 46.330 52.746 40.657 1.00 0.00 H new ATOM 2577 N CYS B 79 49.377 54.926 47.063 1.00 0.00 N ATOM 2578 CA CYS B 79 48.965 55.180 48.473 1.00 0.00 C ATOM 2579 C CYS B 79 49.519 56.530 48.932 1.00 0.00 C ATOM 2580 O CYS B 79 48.930 57.208 49.750 1.00 0.00 O ATOM 2581 CB CYS B 79 49.512 54.070 49.373 1.00 0.00 C ATOM 2582 SG CYS B 79 51.321 54.110 49.350 1.00 0.00 S ATOM 0 H CYS B 79 50.164 54.287 46.949 1.00 0.00 H new ATOM 0 HA CYS B 79 47.877 55.195 48.536 1.00 0.00 H new ATOM 0 HB2 CYS B 79 49.148 54.201 50.392 1.00 0.00 H new ATOM 0 HB3 CYS B 79 49.155 53.099 49.029 1.00 0.00 H new ATOM 0 HG CYS B 79 51.786 53.168 50.116 1.00 0.00 H new ATOM 2588 N GLY B 80 50.649 56.927 48.412 1.00 0.00 N ATOM 2589 CA GLY B 80 51.238 58.235 48.820 1.00 0.00 C ATOM 2590 C GLY B 80 52.592 58.423 48.134 1.00 0.00 C ATOM 2591 O GLY B 80 52.939 57.591 47.312 1.00 0.00 O ATOM 2592 OXT GLY B 80 53.260 59.396 48.443 1.00 0.00 O ATOM 0 H GLY B 80 51.189 56.403 47.723 1.00 0.00 H new ATOM 0 HA2 GLY B 80 50.565 59.049 48.549 1.00 0.00 H new ATOM 0 HA3 GLY B 80 51.359 58.269 49.903 1.00 0.00 H new TER 2596 GLY B 80