USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=32 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= -0.653 K(o=-2.9,f=-5.2!) USER MOD Set 1.2: B 79 CYS SG : rot 120:sc= -2.22! USER MOD Set 2.1: B 22 TYR OH : rot -110:sc= -1.47! USER MOD Set 2.2: B 52 GLN : amide:sc= -3.09! C(o=-4.6!,f=-4.8!) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= 0.0155 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.0808 K(o=0.096,f=-2.2) USER MOD Set 4.1: A 22 TYR OH : rot -70:sc= -1.61! USER MOD Set 4.2: A 52 GLN : amide:sc= -3.54! C(o=-5.2!,f=-4.3!) USER MOD Set 5.1: A 6 GLN : amide:sc= -3.88! C(o=-8.3!,f=-4.6!) USER MOD Set 5.2: B 58 TYR OH : rot -130:sc= -4.42! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 0.632! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -71:sc= -1.06 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -1.69! (180deg=-2.18!) USER MOD Single : A 27 MET CE :methyl 149:sc= 0 (180deg=-0.813) USER MOD Single : A 30 MET CE :methyl 164:sc= -0.118 (180deg=-0.589) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00464 USER MOD Single : A 35 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.54!) USER MOD Single : A 40 ASN : amide:sc= -2.26 K(o=-2.3,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0.471 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 56 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.6!) USER MOD Single : A 59 SER OG : rot 94:sc= 1.14 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 63 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.018) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.28! C(o=-1.3!,f=-9.1!) USER MOD Single : A 75 THR OG1 : rot 48:sc= 0.42 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.136! USER MOD Single : A 78 GLN : amide:sc= -3.63! C(o=-3.6!,f=-3.5!) USER MOD Single : A 79 CYS SG : rot 10:sc= -0.268 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -70:sc= 1.04 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -52:sc= -5.43! USER MOD Single : B 14 GLN : amide:sc= -3.62! C(o=-3.6!,f=-2.2!) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 142:sc= 0 (180deg=-1.13) USER MOD Single : B 30 MET CE :methyl -163:sc= -0.516 (180deg=-1.54) 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 : amide:sc= -3.83! K(o=-3.8!,f=-0.39) USER MOD Single : B 45 SER OG : rot 150:sc= -3.32! USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.1) USER MOD Single : B 59 SER OG : rot 24:sc= -3.48! USER MOD Single : B 61 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.17) USER MOD Single : B 62 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.12) USER MOD Single : B 63 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.31) USER MOD Single : B 65 ASN : amide:sc= -3.04! K(o=-3!,f=-0.94) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 129:sc= 1.17 USER MOD Single : B 76 THR OG1 : rot 46:sc= 0.424 USER MOD Single : B 78 GLN : amide:sc= -0.616 K(o=-0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 54.778 14.835 35.691 1.00 6.58 N ATOM 2 CA GLY A 1 54.346 16.181 35.106 1.00 5.97 C ATOM 3 C GLY A 1 52.963 16.347 34.576 1.00 5.09 C ATOM 4 O GLY A 1 52.420 17.433 34.562 1.00 5.27 O ATOM 0 H1 GLY A 1 55.766 14.897 36.011 1.00 6.58 H new ATOM 0 H2 GLY A 1 54.167 14.595 36.498 1.00 6.58 H new ATOM 0 H3 GLY A 1 54.696 14.097 34.963 1.00 6.58 H new ATOM 0 HA2 GLY A 1 54.490 16.934 35.881 1.00 5.97 H new ATOM 0 HA3 GLY A 1 55.036 16.420 34.297 1.00 5.97 H new ATOM 10 N SER A 2 52.359 15.280 34.128 1.00 4.50 N ATOM 11 CA SER A 2 50.974 15.379 33.584 1.00 3.95 C ATOM 12 C SER A 2 50.906 16.510 32.547 1.00 3.15 C ATOM 13 O SER A 2 50.255 17.509 32.779 1.00 3.20 O ATOM 14 CB SER A 2 50.004 15.681 34.727 1.00 4.48 C ATOM 15 OG SER A 2 50.154 17.037 35.126 1.00 5.04 O ATOM 0 H SER A 2 52.764 14.344 34.115 1.00 4.50 H new ATOM 0 HA SER A 2 50.702 14.436 33.109 1.00 3.95 H new ATOM 0 HB2 SER A 2 48.979 15.496 34.407 1.00 4.48 H new ATOM 0 HB3 SER A 2 50.200 15.018 35.570 1.00 4.48 H new ATOM 0 HG SER A 2 50.716 17.509 34.476 1.00 5.04 H new ATOM 21 N PRO A 3 51.580 16.331 31.428 1.00 2.92 N ATOM 22 CA PRO A 3 51.590 17.352 30.364 1.00 2.64 C ATOM 23 C PRO A 3 50.166 17.566 29.831 1.00 2.05 C ATOM 24 O PRO A 3 49.572 16.685 29.243 1.00 2.43 O ATOM 25 CB PRO A 3 52.528 16.784 29.271 1.00 3.31 C ATOM 26 CG PRO A 3 53.031 15.394 29.764 1.00 3.84 C ATOM 27 CD PRO A 3 52.377 15.120 31.137 1.00 3.57 C ATOM 0 HA PRO A 3 51.937 18.324 30.714 1.00 2.64 H new ATOM 0 HB2 PRO A 3 51.998 16.686 28.324 1.00 3.31 H new ATOM 0 HB3 PRO A 3 53.368 17.457 29.099 1.00 3.31 H new ATOM 0 HG2 PRO A 3 52.763 14.615 29.050 1.00 3.84 H new ATOM 0 HG3 PRO A 3 54.118 15.388 29.850 1.00 3.84 H new ATOM 0 HD2 PRO A 3 51.747 14.231 31.104 1.00 3.57 H new ATOM 0 HD3 PRO A 3 53.130 14.949 31.906 1.00 3.57 H new ATOM 35 N LEU A 4 49.624 18.734 30.032 1.00 1.82 N ATOM 36 CA LEU A 4 48.246 19.015 29.538 1.00 1.56 C ATOM 37 C LEU A 4 48.214 18.856 28.016 1.00 1.26 C ATOM 38 O LEU A 4 48.285 19.819 27.279 1.00 1.39 O ATOM 39 CB LEU A 4 47.851 20.446 29.912 1.00 2.02 C ATOM 40 CG LEU A 4 48.189 20.708 31.384 1.00 2.71 C ATOM 41 CD1 LEU A 4 47.736 22.119 31.766 1.00 3.37 C ATOM 42 CD2 LEU A 4 47.472 19.682 32.270 1.00 3.27 C ATOM 0 H LEU A 4 50.076 19.508 30.518 1.00 1.82 H new ATOM 0 HA LEU A 4 47.544 18.316 29.993 1.00 1.56 H new ATOM 0 HB2 LEU A 4 48.378 21.157 29.276 1.00 2.02 H new ATOM 0 HB3 LEU A 4 46.785 20.595 29.742 1.00 2.02 H new ATOM 0 HG LEU A 4 49.266 20.618 31.529 1.00 2.71 H new ATOM 0 HD11 LEU A 4 47.976 22.307 32.813 1.00 3.37 H new ATOM 0 HD12 LEU A 4 48.250 22.848 31.139 1.00 3.37 H new ATOM 0 HD13 LEU A 4 46.660 22.208 31.618 1.00 3.37 H new ATOM 0 HD21 LEU A 4 47.715 19.871 33.316 1.00 3.27 H new ATOM 0 HD22 LEU A 4 46.395 19.767 32.126 1.00 3.27 H new ATOM 0 HD23 LEU A 4 47.796 18.677 31.999 1.00 3.27 H new ATOM 54 N GLY A 5 48.113 17.645 27.542 1.00 1.15 N ATOM 55 CA GLY A 5 48.083 17.416 26.069 1.00 1.08 C ATOM 56 C GLY A 5 46.956 18.233 25.434 1.00 0.85 C ATOM 57 O GLY A 5 47.025 18.606 24.280 1.00 0.91 O ATOM 0 H GLY A 5 48.050 16.802 28.112 1.00 1.15 H new ATOM 0 HA2 GLY A 5 49.040 17.698 25.629 1.00 1.08 H new ATOM 0 HA3 GLY A 5 47.937 16.356 25.861 1.00 1.08 H new ATOM 61 N GLN A 6 45.915 18.512 26.170 1.00 0.75 N ATOM 62 CA GLN A 6 44.793 19.301 25.589 1.00 0.73 C ATOM 63 C GLN A 6 45.345 20.585 24.965 1.00 0.58 C ATOM 64 O GLN A 6 44.728 21.185 24.110 1.00 0.62 O ATOM 65 CB GLN A 6 43.777 19.643 26.685 1.00 0.91 C ATOM 66 CG GLN A 6 44.356 20.702 27.628 1.00 1.13 C ATOM 67 CD GLN A 6 43.508 20.767 28.899 1.00 1.99 C ATOM 68 OE1 GLN A 6 44.028 20.700 29.995 1.00 2.72 O ATOM 69 NE2 GLN A 6 42.213 20.898 28.797 1.00 2.62 N ATOM 0 H GLN A 6 45.793 18.230 27.143 1.00 0.75 H new ATOM 0 HA GLN A 6 44.294 18.713 24.819 1.00 0.73 H new ATOM 0 HB2 GLN A 6 42.855 20.011 26.235 1.00 0.91 H new ATOM 0 HB3 GLN A 6 43.521 18.745 27.247 1.00 0.91 H new ATOM 0 HG2 GLN A 6 45.388 20.457 27.878 1.00 1.13 H new ATOM 0 HG3 GLN A 6 44.370 21.675 27.136 1.00 1.13 H new ATOM 0 HE21 GLN A 6 41.777 20.954 27.877 1.00 2.62 H new ATOM 0 HE22 GLN A 6 41.637 20.944 29.638 1.00 2.62 H new ATOM 78 N ASP A 7 46.508 21.009 25.381 1.00 0.55 N ATOM 79 CA ASP A 7 47.095 22.250 24.800 1.00 0.53 C ATOM 80 C ASP A 7 47.029 22.163 23.277 1.00 0.43 C ATOM 81 O ASP A 7 46.558 23.062 22.608 1.00 0.48 O ATOM 82 CB ASP A 7 48.555 22.380 25.243 1.00 0.67 C ATOM 83 CG ASP A 7 49.037 23.814 25.012 1.00 1.37 C ATOM 84 OD1 ASP A 7 48.341 24.726 25.426 1.00 2.11 O ATOM 85 OD2 ASP A 7 50.094 23.975 24.424 1.00 1.94 O ATOM 0 H ASP A 7 47.075 20.552 26.095 1.00 0.55 H new ATOM 0 HA ASP A 7 46.536 23.120 25.144 1.00 0.53 H new ATOM 0 HB2 ASP A 7 48.650 22.119 26.297 1.00 0.67 H new ATOM 0 HB3 ASP A 7 49.178 21.682 24.684 1.00 0.67 H new ATOM 90 N VAL A 8 47.493 21.078 22.728 1.00 0.38 N ATOM 91 CA VAL A 8 47.456 20.915 21.250 1.00 0.43 C ATOM 92 C VAL A 8 46.009 21.028 20.769 1.00 0.40 C ATOM 93 O VAL A 8 45.745 21.437 19.657 1.00 0.55 O ATOM 94 CB VAL A 8 48.016 19.543 20.870 1.00 0.52 C ATOM 95 CG1 VAL A 8 48.302 19.509 19.368 1.00 1.02 C ATOM 96 CG2 VAL A 8 49.312 19.291 21.642 1.00 1.23 C ATOM 0 H VAL A 8 47.898 20.294 23.240 1.00 0.38 H new ATOM 0 HA VAL A 8 48.061 21.691 20.781 1.00 0.43 H new ATOM 0 HB VAL A 8 47.289 18.770 21.119 1.00 0.52 H new ATOM 0 HG11 VAL A 8 48.701 18.532 19.096 1.00 1.02 H new ATOM 0 HG12 VAL A 8 47.379 19.690 18.818 1.00 1.02 H new ATOM 0 HG13 VAL A 8 49.030 20.281 19.119 1.00 1.02 H new ATOM 0 HG21 VAL A 8 49.712 18.314 21.372 1.00 1.23 H new ATOM 0 HG22 VAL A 8 50.040 20.063 21.392 1.00 1.23 H new ATOM 0 HG23 VAL A 8 49.109 19.317 22.713 1.00 1.23 H new ATOM 106 N PHE A 9 45.067 20.673 21.599 1.00 0.27 N ATOM 107 CA PHE A 9 43.641 20.771 21.182 1.00 0.25 C ATOM 108 C PHE A 9 43.310 22.235 20.895 1.00 0.25 C ATOM 109 O PHE A 9 42.748 22.565 19.869 1.00 0.36 O ATOM 110 CB PHE A 9 42.737 20.241 22.302 1.00 0.23 C ATOM 111 CG PHE A 9 41.370 19.926 21.741 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.488 20.967 21.436 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.987 18.597 21.523 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.224 20.681 20.913 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.721 18.311 21.000 1.00 0.19 C ATOM 116 CZ PHE A 9 38.840 19.354 20.695 1.00 0.20 C ATOM 0 H PHE A 9 45.222 20.321 22.544 1.00 0.27 H new ATOM 0 HA PHE A 9 43.475 20.175 20.285 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.175 19.346 22.744 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.653 20.982 23.097 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.783 21.992 21.605 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.668 17.793 21.758 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.543 21.485 20.677 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.424 17.286 20.832 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.863 19.134 20.291 1.00 0.20 H new ATOM 126 N LEU A 10 43.668 23.117 21.786 1.00 0.21 N ATOM 127 CA LEU A 10 43.386 24.558 21.552 1.00 0.21 C ATOM 128 C LEU A 10 44.088 24.991 20.265 1.00 0.22 C ATOM 129 O LEU A 10 43.661 25.905 19.587 1.00 0.27 O ATOM 130 CB LEU A 10 43.922 25.384 22.723 1.00 0.24 C ATOM 131 CG LEU A 10 43.364 24.846 24.046 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.094 25.521 25.203 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.862 25.148 24.150 1.00 0.28 C ATOM 0 H LEU A 10 44.142 22.902 22.663 1.00 0.21 H new ATOM 0 HA LEU A 10 42.311 24.715 21.465 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.011 25.346 22.736 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.641 26.430 22.599 1.00 0.24 H new ATOM 0 HG LEU A 10 43.512 23.767 24.086 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.704 25.145 26.149 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.160 25.303 25.138 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.941 26.599 25.151 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.478 24.761 25.094 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.704 26.226 24.108 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.337 24.672 23.322 1.00 0.28 H new ATOM 145 N ASP A 11 45.167 24.337 19.925 1.00 0.21 N ATOM 146 CA ASP A 11 45.905 24.703 18.683 1.00 0.23 C ATOM 147 C ASP A 11 45.033 24.407 17.461 1.00 0.20 C ATOM 148 O ASP A 11 44.731 25.288 16.680 1.00 0.29 O ATOM 149 CB ASP A 11 47.203 23.893 18.596 1.00 0.27 C ATOM 150 CG ASP A 11 48.142 24.538 17.574 1.00 1.08 C ATOM 151 OD1 ASP A 11 48.842 25.466 17.944 1.00 1.64 O ATOM 152 OD2 ASP A 11 48.143 24.093 16.438 1.00 1.92 O ATOM 0 H ASP A 11 45.569 23.564 20.455 1.00 0.21 H new ATOM 0 HA ASP A 11 46.145 25.766 18.707 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.685 23.853 19.573 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.984 22.865 18.306 1.00 0.27 H new ATOM 157 N TYR A 12 44.622 23.175 17.281 1.00 0.14 N ATOM 158 CA TYR A 12 43.770 22.846 16.102 1.00 0.12 C ATOM 159 C TYR A 12 42.633 23.863 16.011 1.00 0.11 C ATOM 160 O TYR A 12 42.368 24.426 14.967 1.00 0.15 O ATOM 161 CB TYR A 12 43.184 21.435 16.252 1.00 0.12 C ATOM 162 CG TYR A 12 44.287 20.396 16.139 1.00 0.16 C ATOM 163 CD1 TYR A 12 45.049 20.298 14.965 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.548 19.529 17.208 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.064 19.339 14.864 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.562 18.570 17.106 1.00 0.27 C ATOM 167 CZ TYR A 12 46.321 18.475 15.935 1.00 0.30 C ATOM 168 OH TYR A 12 47.320 17.529 15.835 1.00 0.37 O ATOM 0 H TYR A 12 44.839 22.391 17.896 1.00 0.14 H new ATOM 0 HA TYR A 12 44.376 22.882 15.197 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.683 21.341 17.216 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.431 21.262 15.483 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.852 20.964 14.138 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.965 19.601 18.114 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.649 19.266 13.959 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.759 17.903 17.932 1.00 0.27 H new ATOM 0 HH TYR A 12 47.367 17.013 16.667 1.00 0.37 H new ATOM 178 N CYS A 13 41.971 24.111 17.104 1.00 0.12 N ATOM 179 CA CYS A 13 40.863 25.100 17.099 1.00 0.15 C ATOM 180 C CYS A 13 41.382 26.421 16.533 1.00 0.16 C ATOM 181 O CYS A 13 40.748 27.051 15.710 1.00 0.19 O ATOM 182 CB CYS A 13 40.376 25.315 18.533 1.00 0.19 C ATOM 183 SG CYS A 13 39.605 23.797 19.146 1.00 1.38 S ATOM 0 H CYS A 13 42.151 23.668 18.005 1.00 0.12 H new ATOM 0 HA CYS A 13 40.039 24.736 16.486 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.212 25.595 19.174 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.661 26.137 18.566 1.00 0.19 H new ATOM 0 HG CYS A 13 38.467 23.615 18.545 1.00 1.38 H new ATOM 189 N GLN A 14 42.540 26.839 16.966 1.00 0.17 N ATOM 190 CA GLN A 14 43.113 28.113 16.454 1.00 0.21 C ATOM 191 C GLN A 14 43.080 28.097 14.925 1.00 0.21 C ATOM 192 O GLN A 14 42.735 29.073 14.294 1.00 0.28 O ATOM 193 CB GLN A 14 44.559 28.251 16.936 1.00 0.25 C ATOM 194 CG GLN A 14 45.029 29.690 16.728 1.00 0.64 C ATOM 195 CD GLN A 14 46.458 29.843 17.252 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.782 29.357 18.318 1.00 1.68 O ATOM 197 NE2 GLN A 14 47.333 30.503 16.544 1.00 1.31 N ATOM 0 H GLN A 14 43.114 26.351 17.654 1.00 0.17 H new ATOM 0 HA GLN A 14 42.529 28.956 16.824 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.630 27.983 17.990 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.204 27.564 16.388 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.989 29.947 15.669 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.364 30.379 17.248 1.00 0.64 H new ATOM 0 HE21 GLN A 14 47.062 30.911 15.649 1.00 1.31 H new ATOM 0 HE22 GLN A 14 48.288 30.611 16.885 1.00 1.31 H new ATOM 206 N LYS A 15 43.431 26.991 14.326 1.00 0.20 N ATOM 207 CA LYS A 15 43.410 26.912 12.838 1.00 0.22 C ATOM 208 C LYS A 15 41.961 27.007 12.355 1.00 0.19 C ATOM 209 O LYS A 15 41.600 27.889 11.602 1.00 0.22 O ATOM 210 CB LYS A 15 44.019 25.583 12.390 1.00 0.25 C ATOM 211 CG LYS A 15 45.506 25.564 12.750 1.00 0.57 C ATOM 212 CD LYS A 15 46.057 24.142 12.602 1.00 1.16 C ATOM 213 CE LYS A 15 46.050 23.733 11.126 1.00 1.52 C ATOM 214 NZ LYS A 15 46.919 22.536 10.939 1.00 2.24 N ATOM 0 H LYS A 15 43.731 26.140 14.802 1.00 0.20 H new ATOM 0 HA LYS A 15 43.991 27.731 12.414 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.505 24.752 12.874 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.891 25.455 11.315 1.00 0.25 H new ATOM 0 HG2 LYS A 15 46.055 26.246 12.101 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.647 25.914 13.773 1.00 0.57 H new ATOM 0 HD2 LYS A 15 47.071 24.092 12.998 1.00 1.16 H new ATOM 0 HD3 LYS A 15 45.453 23.446 13.184 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.033 23.511 10.804 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.408 24.556 10.508 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 46.915 22.257 9.937 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.891 22.763 11.231 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.558 21.751 11.518 1.00 2.24 H new ATOM 228 N LEU A 16 41.127 26.107 12.799 1.00 0.15 N ATOM 229 CA LEU A 16 39.692 26.130 12.393 1.00 0.13 C ATOM 230 C LEU A 16 39.143 27.554 12.551 1.00 0.13 C ATOM 231 O LEU A 16 38.143 27.918 11.963 1.00 0.17 O ATOM 232 CB LEU A 16 38.921 25.157 13.317 1.00 0.11 C ATOM 233 CG LEU A 16 37.909 24.318 12.521 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.641 23.302 11.611 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.989 23.590 13.512 1.00 0.17 C ATOM 0 H LEU A 16 41.381 25.349 13.432 1.00 0.15 H new ATOM 0 HA LEU A 16 39.578 25.826 11.352 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.626 24.497 13.823 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.400 25.722 14.091 1.00 0.11 H new ATOM 0 HG LEU A 16 37.316 24.970 11.880 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.908 22.717 11.055 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.284 23.837 10.912 1.00 0.26 H new ATOM 0 HD13 LEU A 16 39.248 22.635 12.224 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.264 22.990 12.962 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.586 22.941 14.153 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.463 24.322 14.125 1.00 0.17 H new ATOM 247 N LEU A 17 39.780 28.345 13.365 1.00 0.12 N ATOM 248 CA LEU A 17 39.300 29.733 13.605 1.00 0.13 C ATOM 249 C LEU A 17 39.758 30.677 12.485 1.00 0.15 C ATOM 250 O LEU A 17 38.953 31.296 11.818 1.00 0.22 O ATOM 251 CB LEU A 17 39.880 30.204 14.944 1.00 0.12 C ATOM 252 CG LEU A 17 39.105 31.426 15.472 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.811 30.976 16.171 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.968 32.201 16.481 1.00 0.13 C ATOM 0 H LEU A 17 40.622 28.087 13.880 1.00 0.12 H new ATOM 0 HA LEU A 17 38.210 29.744 13.624 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.832 29.394 15.672 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.932 30.460 14.821 1.00 0.12 H new ATOM 0 HG LEU A 17 38.859 32.067 14.626 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.274 31.850 16.539 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.183 30.436 15.462 1.00 0.12 H new ATOM 0 HD13 LEU A 17 38.058 30.323 17.008 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.412 33.063 16.849 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.223 31.550 17.317 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.882 32.540 15.993 1.00 0.13 H new ATOM 266 N GLU A 18 41.040 30.808 12.285 1.00 0.20 N ATOM 267 CA GLU A 18 41.536 31.730 11.224 1.00 0.25 C ATOM 268 C GLU A 18 41.128 31.216 9.843 1.00 0.21 C ATOM 269 O GLU A 18 40.760 31.982 8.974 1.00 0.25 O ATOM 270 CB GLU A 18 43.060 31.836 11.303 1.00 0.32 C ATOM 271 CG GLU A 18 43.677 30.439 11.333 1.00 1.41 C ATOM 272 CD GLU A 18 45.194 30.552 11.494 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.735 31.577 11.112 1.00 2.62 O ATOM 274 OE2 GLU A 18 45.789 29.612 11.996 1.00 2.77 O ATOM 0 H GLU A 18 41.765 30.318 12.809 1.00 0.20 H new ATOM 0 HA GLU A 18 41.095 32.715 11.379 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.440 32.392 10.446 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.349 32.390 12.196 1.00 0.32 H new ATOM 0 HG2 GLU A 18 43.256 29.862 12.156 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.437 29.905 10.414 1.00 1.41 H new ATOM 281 N LYS A 19 41.182 29.931 9.625 1.00 0.20 N ATOM 282 CA LYS A 19 40.790 29.393 8.299 1.00 0.20 C ATOM 283 C LYS A 19 39.394 29.921 7.956 1.00 0.18 C ATOM 284 O LYS A 19 39.168 30.476 6.899 1.00 0.24 O ATOM 285 CB LYS A 19 40.795 27.852 8.369 1.00 0.22 C ATOM 286 CG LYS A 19 42.027 27.296 7.639 1.00 0.30 C ATOM 287 CD LYS A 19 42.029 25.765 7.691 1.00 0.37 C ATOM 288 CE LYS A 19 40.770 25.202 7.012 1.00 0.92 C ATOM 289 NZ LYS A 19 40.359 26.086 5.884 1.00 1.77 N ATOM 0 H LYS A 19 41.480 29.234 10.308 1.00 0.20 H new ATOM 0 HA LYS A 19 41.488 29.709 7.524 1.00 0.20 H new ATOM 0 HB2 LYS A 19 40.801 27.527 9.409 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.885 27.456 7.917 1.00 0.22 H new ATOM 0 HG2 LYS A 19 42.026 27.632 6.602 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.936 27.684 8.099 1.00 0.30 H new ATOM 0 HD2 LYS A 19 42.920 25.380 7.195 1.00 0.37 H new ATOM 0 HD3 LYS A 19 42.071 25.430 8.728 1.00 0.37 H new ATOM 0 HE2 LYS A 19 40.966 24.195 6.643 1.00 0.92 H new ATOM 0 HE3 LYS A 19 39.960 25.124 7.737 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 39.692 25.577 5.270 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.900 26.940 6.261 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 41.198 26.358 5.333 1.00 1.77 H new ATOM 303 N PHE A 20 38.463 29.764 8.852 1.00 0.16 N ATOM 304 CA PHE A 20 37.090 30.265 8.599 1.00 0.16 C ATOM 305 C PHE A 20 37.049 31.758 8.933 1.00 0.19 C ATOM 306 O PHE A 20 36.009 32.386 8.921 1.00 0.30 O ATOM 307 CB PHE A 20 36.118 29.495 9.493 1.00 0.14 C ATOM 308 CG PHE A 20 35.876 28.118 8.911 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.825 27.109 9.117 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.716 27.847 8.164 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.620 25.832 8.583 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.515 26.567 7.630 1.00 0.13 C ATOM 313 CZ PHE A 20 35.467 25.561 7.841 1.00 0.12 C ATOM 0 H PHE A 20 38.597 29.307 9.754 1.00 0.16 H new ATOM 0 HA PHE A 20 36.808 30.121 7.556 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.525 29.409 10.501 1.00 0.14 H new ATOM 0 HB3 PHE A 20 35.176 30.037 9.575 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.717 27.317 9.689 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.982 28.623 8.002 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.353 25.055 8.744 1.00 0.12 H new ATOM 0 HE2 PHE A 20 33.625 26.356 7.055 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.310 24.575 7.430 1.00 0.12 H new ATOM 323 N ARG A 21 38.190 32.329 9.221 1.00 0.18 N ATOM 324 CA ARG A 21 38.252 33.785 9.547 1.00 0.21 C ATOM 325 C ARG A 21 37.242 34.140 10.644 1.00 0.18 C ATOM 326 O ARG A 21 36.597 35.168 10.585 1.00 0.19 O ATOM 327 CB ARG A 21 37.935 34.598 8.291 1.00 0.29 C ATOM 328 CG ARG A 21 39.050 34.401 7.256 1.00 0.65 C ATOM 329 CD ARG A 21 38.861 35.374 6.067 1.00 1.12 C ATOM 330 NE ARG A 21 39.040 34.643 4.770 1.00 1.93 N ATOM 331 CZ ARG A 21 40.045 33.826 4.582 1.00 2.67 C ATOM 332 NH1 ARG A 21 40.973 33.699 5.489 1.00 2.95 N ATOM 333 NH2 ARG A 21 40.134 33.154 3.467 1.00 3.64 N ATOM 0 H ARG A 21 39.088 31.845 9.244 1.00 0.18 H new ATOM 0 HA ARG A 21 39.255 34.019 9.905 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.978 34.284 7.874 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.841 35.654 8.543 1.00 0.29 H new ATOM 0 HG2 ARG A 21 40.021 34.570 7.722 1.00 0.65 H new ATOM 0 HG3 ARG A 21 39.044 33.372 6.897 1.00 0.65 H new ATOM 0 HD2 ARG A 21 37.868 35.821 6.107 1.00 1.12 H new ATOM 0 HD3 ARG A 21 39.581 36.189 6.136 1.00 1.12 H new ATOM 0 HE ARG A 21 38.365 34.785 4.019 1.00 1.93 H new ATOM 0 HH11 ARG A 21 40.919 34.239 6.353 1.00 2.95 H new ATOM 0 HH12 ARG A 21 41.753 33.060 5.335 1.00 2.95 H new ATOM 0 HH21 ARG A 21 39.422 33.266 2.746 1.00 3.64 H new ATOM 0 HH22 ARG A 21 40.916 32.516 3.317 1.00 3.64 H new ATOM 347 N TYR A 22 37.095 33.313 11.647 1.00 0.15 N ATOM 348 CA TYR A 22 36.122 33.634 12.738 1.00 0.13 C ATOM 349 C TYR A 22 36.835 34.490 13.820 1.00 0.14 C ATOM 350 O TYR A 22 38.013 34.301 14.049 1.00 0.15 O ATOM 351 CB TYR A 22 35.639 32.323 13.389 1.00 0.11 C ATOM 352 CG TYR A 22 34.480 31.693 12.618 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.321 32.432 12.303 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.564 30.346 12.229 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.269 31.823 11.606 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.509 29.745 11.534 1.00 0.12 C ATOM 357 CZ TYR A 22 32.364 30.482 11.223 1.00 0.13 C ATOM 358 OH TYR A 22 31.325 29.886 10.539 1.00 0.15 O ATOM 0 H TYR A 22 37.602 32.435 11.759 1.00 0.15 H new ATOM 0 HA TYR A 22 35.275 34.181 12.323 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.468 31.617 13.439 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.327 32.521 14.414 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.244 33.468 12.599 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.447 29.772 12.467 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.383 32.391 11.364 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.580 28.709 11.237 1.00 0.12 H new ATOM 0 HH TYR A 22 30.559 29.774 11.140 1.00 0.15 H new ATOM 368 N PRO A 23 36.112 35.387 14.483 1.00 0.14 N ATOM 369 CA PRO A 23 36.706 36.218 15.554 1.00 0.16 C ATOM 370 C PRO A 23 37.197 35.318 16.701 1.00 0.16 C ATOM 371 O PRO A 23 37.030 34.116 16.677 1.00 0.15 O ATOM 372 CB PRO A 23 35.564 37.147 16.027 1.00 0.17 C ATOM 373 CG PRO A 23 34.269 36.690 15.301 1.00 0.15 C ATOM 374 CD PRO A 23 34.680 35.657 14.229 1.00 0.14 C ATOM 0 HA PRO A 23 37.567 36.791 15.210 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.441 37.085 17.108 1.00 0.17 H new ATOM 0 HB3 PRO A 23 35.791 38.187 15.791 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.567 36.250 16.009 1.00 0.15 H new ATOM 0 HG3 PRO A 23 33.766 37.541 14.841 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.087 34.746 14.311 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.525 36.049 13.224 1.00 0.14 H new ATOM 382 N TRP A 24 37.806 35.900 17.697 1.00 0.18 N ATOM 383 CA TRP A 24 38.322 35.097 18.848 1.00 0.19 C ATOM 384 C TRP A 24 37.188 34.738 19.816 1.00 0.19 C ATOM 385 O TRP A 24 37.347 33.900 20.682 1.00 0.21 O ATOM 386 CB TRP A 24 39.383 35.910 19.592 1.00 0.21 C ATOM 387 CG TRP A 24 39.872 35.128 20.768 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.478 35.323 22.047 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.833 34.033 20.797 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.135 34.416 22.859 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.980 33.599 22.135 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.582 33.379 19.801 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.841 32.556 22.475 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.450 32.328 20.140 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.578 31.917 21.475 1.00 0.52 C ATOM 0 H TRP A 24 37.971 36.904 17.766 1.00 0.18 H new ATOM 0 HA TRP A 24 38.755 34.174 18.463 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.213 36.142 18.925 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.964 36.860 19.922 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.767 36.065 22.380 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.010 34.358 23.870 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.489 33.687 18.770 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.937 32.244 23.505 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.022 31.834 19.369 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.246 31.107 21.730 1.00 0.52 H new ATOM 406 N GLU A 25 36.057 35.371 19.697 1.00 0.18 N ATOM 407 CA GLU A 25 34.935 35.069 20.633 1.00 0.21 C ATOM 408 C GLU A 25 34.284 33.722 20.294 1.00 0.17 C ATOM 409 O GLU A 25 33.509 33.195 21.068 1.00 0.20 O ATOM 410 CB GLU A 25 33.885 36.177 20.529 1.00 0.29 C ATOM 411 CG GLU A 25 32.810 35.968 21.598 1.00 1.15 C ATOM 412 CD GLU A 25 31.946 37.225 21.704 1.00 1.55 C ATOM 413 OE1 GLU A 25 32.354 38.143 22.396 1.00 1.97 O ATOM 414 OE2 GLU A 25 30.892 37.249 21.090 1.00 2.18 O ATOM 0 H GLU A 25 35.858 36.083 18.995 1.00 0.18 H new ATOM 0 HA GLU A 25 35.332 35.015 21.647 1.00 0.21 H new ATOM 0 HB2 GLU A 25 34.356 37.151 20.658 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.432 36.171 19.538 1.00 0.29 H new ATOM 0 HG2 GLU A 25 32.190 35.108 21.343 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.275 35.751 22.560 1.00 1.15 H new ATOM 421 N LEU A 26 34.566 33.165 19.141 1.00 0.13 N ATOM 422 CA LEU A 26 33.928 31.860 18.758 1.00 0.11 C ATOM 423 C LEU A 26 34.869 30.684 19.016 1.00 0.10 C ATOM 424 O LEU A 26 34.787 29.666 18.357 1.00 0.11 O ATOM 425 CB LEU A 26 33.578 31.887 17.274 1.00 0.10 C ATOM 426 CG LEU A 26 32.892 33.206 16.923 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.337 33.104 15.506 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.745 33.484 17.907 1.00 0.12 C ATOM 0 H LEU A 26 35.207 33.553 18.449 1.00 0.13 H new ATOM 0 HA LEU A 26 33.032 31.731 19.365 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.482 31.767 16.677 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.922 31.051 17.031 1.00 0.10 H new ATOM 0 HG LEU A 26 33.612 34.022 16.987 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.844 34.039 15.240 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.153 32.913 14.809 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.617 32.287 15.455 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.263 34.427 17.647 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.015 32.676 17.853 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.142 33.547 18.920 1.00 0.12 H new ATOM 440 N MET A 27 35.752 30.792 19.964 1.00 0.12 N ATOM 441 CA MET A 27 36.662 29.656 20.236 1.00 0.13 C ATOM 442 C MET A 27 35.879 28.467 20.857 1.00 0.11 C ATOM 443 O MET A 27 36.152 27.335 20.510 1.00 0.13 O ATOM 444 CB MET A 27 37.804 30.127 21.165 1.00 0.18 C ATOM 445 CG MET A 27 39.039 30.494 20.335 1.00 0.19 C ATOM 446 SD MET A 27 39.798 28.988 19.685 1.00 1.17 S ATOM 447 CE MET A 27 40.863 28.662 21.107 1.00 0.31 C ATOM 0 H MET A 27 35.881 31.612 20.557 1.00 0.12 H new ATOM 0 HA MET A 27 37.097 29.305 19.300 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.478 30.989 21.747 1.00 0.18 H new ATOM 0 HB3 MET A 27 38.054 29.339 21.875 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.756 31.154 19.515 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.755 31.038 20.950 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.006 27.587 21.216 1.00 0.31 H new ATOM 0 HE2 MET A 27 41.829 29.143 20.956 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.397 29.059 22.009 1.00 0.31 H new ATOM 457 N PRO A 28 34.932 28.726 21.752 1.00 0.10 N ATOM 458 CA PRO A 28 34.149 27.635 22.381 1.00 0.09 C ATOM 459 C PRO A 28 33.415 26.792 21.325 1.00 0.10 C ATOM 460 O PRO A 28 33.165 25.624 21.527 1.00 0.19 O ATOM 461 CB PRO A 28 33.155 28.354 23.318 1.00 0.09 C ATOM 462 CG PRO A 28 33.627 29.827 23.422 1.00 0.11 C ATOM 463 CD PRO A 28 34.561 30.080 22.226 1.00 0.11 C ATOM 0 HA PRO A 28 34.785 26.934 22.922 1.00 0.09 H new ATOM 0 HB2 PRO A 28 32.141 28.300 22.922 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.139 27.882 24.301 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.776 30.508 23.399 1.00 0.11 H new ATOM 0 HG3 PRO A 28 34.149 30.000 24.363 1.00 0.11 H new ATOM 0 HD2 PRO A 28 34.059 30.651 21.444 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.440 30.651 22.523 1.00 0.11 H new ATOM 471 N LEU A 29 33.062 27.361 20.206 1.00 0.11 N ATOM 472 CA LEU A 29 32.353 26.554 19.170 1.00 0.09 C ATOM 473 C LEU A 29 33.387 25.751 18.388 1.00 0.10 C ATOM 474 O LEU A 29 33.225 24.568 18.164 1.00 0.19 O ATOM 475 CB LEU A 29 31.568 27.478 18.236 1.00 0.08 C ATOM 476 CG LEU A 29 30.634 28.373 19.064 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.024 29.447 18.162 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.508 27.528 19.682 1.00 0.08 C ATOM 0 H LEU A 29 33.230 28.338 19.964 1.00 0.11 H new ATOM 0 HA LEU A 29 31.646 25.872 19.643 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.255 28.092 17.653 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.988 26.888 17.527 1.00 0.08 H new ATOM 0 HG LEU A 29 31.208 28.845 19.862 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.361 30.082 18.750 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.820 30.054 17.730 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.456 28.971 17.363 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.850 28.171 20.267 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.935 27.049 18.888 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.939 26.764 20.329 1.00 0.08 H new ATOM 490 N MET A 30 34.466 26.368 18.001 1.00 0.10 N ATOM 491 CA MET A 30 35.520 25.617 17.274 1.00 0.12 C ATOM 492 C MET A 30 36.025 24.513 18.203 1.00 0.10 C ATOM 493 O MET A 30 36.647 23.556 17.784 1.00 0.11 O ATOM 494 CB MET A 30 36.672 26.561 16.930 1.00 0.16 C ATOM 495 CG MET A 30 36.192 27.639 15.960 1.00 0.19 C ATOM 496 SD MET A 30 35.739 26.876 14.380 1.00 1.16 S ATOM 497 CE MET A 30 34.034 27.477 14.294 1.00 0.20 C ATOM 0 H MET A 30 34.662 27.357 18.157 1.00 0.10 H new ATOM 0 HA MET A 30 35.124 25.193 16.351 1.00 0.12 H new ATOM 0 HB2 MET A 30 37.058 27.023 17.839 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.493 25.999 16.485 1.00 0.16 H new ATOM 0 HG2 MET A 30 35.335 28.165 16.380 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.977 28.380 15.806 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.659 27.364 13.277 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.410 26.900 14.977 1.00 0.20 H new ATOM 0 HE3 MET A 30 34.004 28.529 14.577 1.00 0.20 H new ATOM 507 N TYR A 31 35.753 24.655 19.473 1.00 0.09 N ATOM 508 CA TYR A 31 36.196 23.643 20.471 1.00 0.09 C ATOM 509 C TYR A 31 35.234 22.451 20.451 1.00 0.09 C ATOM 510 O TYR A 31 35.645 21.309 20.483 1.00 0.10 O ATOM 511 CB TYR A 31 36.198 24.296 21.861 1.00 0.09 C ATOM 512 CG TYR A 31 36.359 23.256 22.944 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.637 22.859 23.347 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.228 22.700 23.552 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.785 21.902 24.358 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.373 21.745 24.562 1.00 0.11 C ATOM 517 CZ TYR A 31 36.652 21.344 24.966 1.00 0.12 C ATOM 518 OH TYR A 31 36.798 20.402 25.963 1.00 0.14 O ATOM 0 H TYR A 31 35.235 25.441 19.865 1.00 0.09 H new ATOM 0 HA TYR A 31 37.198 23.289 20.231 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.008 25.022 21.925 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.267 24.843 22.012 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.510 23.290 22.879 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.241 23.009 23.240 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.772 21.594 24.669 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.499 21.317 25.030 1.00 0.11 H new ATOM 0 HH TYR A 31 35.914 20.119 26.278 1.00 0.14 H new ATOM 528 N VAL A 32 33.958 22.710 20.401 1.00 0.09 N ATOM 529 CA VAL A 32 32.971 21.594 20.383 1.00 0.09 C ATOM 530 C VAL A 32 33.093 20.822 19.069 1.00 0.09 C ATOM 531 O VAL A 32 33.243 19.617 19.055 1.00 0.12 O ATOM 532 CB VAL A 32 31.556 22.164 20.504 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.541 21.017 20.499 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.427 22.962 21.810 1.00 0.12 C ATOM 0 H VAL A 32 33.555 23.647 20.372 1.00 0.09 H new ATOM 0 HA VAL A 32 33.169 20.923 21.219 1.00 0.09 H new ATOM 0 HB VAL A 32 31.360 22.825 19.660 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.533 21.423 20.585 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.629 20.458 19.568 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.738 20.353 21.341 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.418 23.366 21.891 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.625 22.306 22.658 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.146 23.781 21.809 1.00 0.12 H new ATOM 544 N ILE A 33 33.024 21.506 17.962 1.00 0.09 N ATOM 545 CA ILE A 33 33.130 20.815 16.648 1.00 0.09 C ATOM 546 C ILE A 33 34.319 19.837 16.671 1.00 0.10 C ATOM 547 O ILE A 33 34.143 18.640 16.565 1.00 0.11 O ATOM 548 CB ILE A 33 33.300 21.872 15.553 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.034 22.737 15.508 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.498 21.194 14.199 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.251 23.954 14.603 1.00 0.09 C ATOM 0 H ILE A 33 32.898 22.517 17.911 1.00 0.09 H new ATOM 0 HA ILE A 33 32.228 20.238 16.445 1.00 0.09 H new ATOM 0 HB ILE A 33 34.172 22.489 15.770 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.195 22.147 15.139 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.774 23.066 16.514 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.618 21.953 13.426 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.389 20.567 14.233 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.629 20.578 13.970 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.344 24.558 14.581 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.076 24.552 14.990 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.488 23.619 13.593 1.00 0.09 H new ATOM 563 N LEU A 34 35.522 20.327 16.823 1.00 0.10 N ATOM 564 CA LEU A 34 36.703 19.410 16.869 1.00 0.11 C ATOM 565 C LEU A 34 36.444 18.308 17.913 1.00 0.13 C ATOM 566 O LEU A 34 36.787 17.161 17.709 1.00 0.20 O ATOM 567 CB LEU A 34 37.957 20.244 17.266 1.00 0.09 C ATOM 568 CG LEU A 34 38.922 20.574 16.070 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.227 20.555 14.697 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.529 21.966 16.295 1.00 0.10 C ATOM 0 H LEU A 34 35.739 21.319 16.917 1.00 0.10 H new ATOM 0 HA LEU A 34 36.867 18.944 15.898 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.628 21.179 17.720 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.515 19.699 18.027 1.00 0.09 H new ATOM 0 HG LEU A 34 39.684 19.795 16.053 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.953 20.791 13.919 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.809 19.565 14.515 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.427 21.295 14.684 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.201 22.207 15.472 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.731 22.708 16.342 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.086 21.973 17.232 1.00 0.10 H new ATOM 582 N LYS A 35 35.854 18.641 19.026 1.00 0.12 N ATOM 583 CA LYS A 35 35.596 17.602 20.068 1.00 0.15 C ATOM 584 C LYS A 35 34.800 16.439 19.467 1.00 0.21 C ATOM 585 O LYS A 35 35.008 15.293 19.812 1.00 0.29 O ATOM 586 CB LYS A 35 34.802 18.224 21.225 1.00 0.13 C ATOM 587 CG LYS A 35 34.899 17.326 22.464 1.00 0.17 C ATOM 588 CD LYS A 35 34.262 18.035 23.666 1.00 0.26 C ATOM 589 CE LYS A 35 32.759 18.225 23.431 1.00 0.80 C ATOM 590 NZ LYS A 35 32.076 18.418 24.742 1.00 1.49 N ATOM 0 H LYS A 35 35.539 19.582 19.261 1.00 0.12 H new ATOM 0 HA LYS A 35 36.549 17.225 20.439 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.191 19.217 21.453 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.758 18.349 20.936 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.394 16.378 22.279 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.943 17.095 22.677 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.425 17.450 24.571 1.00 0.26 H new ATOM 0 HD3 LYS A 35 34.739 19.003 23.822 1.00 0.26 H new ATOM 0 HE2 LYS A 35 32.586 19.088 22.787 1.00 0.80 H new ATOM 0 HE3 LYS A 35 32.347 17.356 22.918 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 31.359 17.676 24.872 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 32.776 18.362 25.509 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 31.616 19.351 24.760 1.00 1.49 H new ATOM 604 N ASP A 36 33.886 16.720 18.578 1.00 0.24 N ATOM 605 CA ASP A 36 33.075 15.625 17.967 1.00 0.32 C ATOM 606 C ASP A 36 33.797 15.051 16.747 1.00 0.26 C ATOM 607 O ASP A 36 33.777 13.861 16.504 1.00 0.36 O ATOM 608 CB ASP A 36 31.722 16.182 17.531 1.00 0.42 C ATOM 609 CG ASP A 36 31.037 16.856 18.721 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.074 16.288 19.800 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.487 17.929 18.533 1.00 1.42 O ATOM 0 H ASP A 36 33.665 17.659 18.248 1.00 0.24 H new ATOM 0 HA ASP A 36 32.934 14.835 18.704 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.857 16.900 16.722 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.094 15.379 17.144 1.00 0.42 H new ATOM 616 N ALA A 37 34.421 15.890 15.969 1.00 0.18 N ATOM 617 CA ALA A 37 35.129 15.398 14.755 1.00 0.17 C ATOM 618 C ALA A 37 36.456 14.758 15.149 1.00 0.16 C ATOM 619 O ALA A 37 37.438 14.875 14.444 1.00 0.21 O ATOM 620 CB ALA A 37 35.412 16.582 13.839 1.00 0.19 C ATOM 0 H ALA A 37 34.471 16.897 16.122 1.00 0.18 H new ATOM 0 HA ALA A 37 34.507 14.660 14.248 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.931 16.235 12.945 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.472 17.053 13.553 1.00 0.19 H new ATOM 0 HB3 ALA A 37 36.036 17.306 14.363 1.00 0.19 H new ATOM 626 N ASP A 38 36.511 14.101 16.270 1.00 0.18 N ATOM 627 CA ASP A 38 37.799 13.486 16.686 1.00 0.20 C ATOM 628 C ASP A 38 38.872 14.578 16.656 1.00 0.18 C ATOM 629 O ASP A 38 40.058 14.315 16.674 1.00 0.22 O ATOM 630 CB ASP A 38 38.163 12.353 15.713 1.00 0.25 C ATOM 631 CG ASP A 38 39.071 11.336 16.412 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.776 11.731 17.326 1.00 1.82 O ATOM 633 OD2 ASP A 38 39.045 10.180 16.021 1.00 1.65 O ATOM 0 H ASP A 38 35.729 13.964 16.911 1.00 0.18 H new ATOM 0 HA ASP A 38 37.722 13.067 17.689 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.257 11.861 15.359 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.667 12.762 14.837 1.00 0.25 H new ATOM 638 N ALA A 39 38.435 15.805 16.597 1.00 0.14 N ATOM 639 CA ALA A 39 39.368 16.957 16.550 1.00 0.14 C ATOM 640 C ALA A 39 40.166 16.927 15.246 1.00 0.14 C ATOM 641 O ALA A 39 41.159 17.611 15.100 1.00 0.16 O ATOM 642 CB ALA A 39 40.315 16.913 17.745 1.00 0.16 C ATOM 0 H ALA A 39 37.447 16.059 16.579 1.00 0.14 H new ATOM 0 HA ALA A 39 38.792 17.882 16.592 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.996 17.763 17.701 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.738 16.958 18.669 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.889 15.987 17.720 1.00 0.16 H new ATOM 648 N ASN A 40 39.735 16.147 14.292 1.00 0.14 N ATOM 649 CA ASN A 40 40.466 16.085 12.995 1.00 0.16 C ATOM 650 C ASN A 40 39.985 17.233 12.106 1.00 0.14 C ATOM 651 O ASN A 40 38.961 17.141 11.458 1.00 0.15 O ATOM 652 CB ASN A 40 40.181 14.737 12.313 1.00 0.20 C ATOM 653 CG ASN A 40 41.324 14.379 11.358 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.690 13.226 11.236 1.00 1.77 O ATOM 655 ND2 ASN A 40 41.906 15.324 10.671 1.00 1.19 N ATOM 0 H ASN A 40 38.910 15.551 14.355 1.00 0.14 H new ATOM 0 HA ASN A 40 41.539 16.177 13.162 1.00 0.16 H new ATOM 0 HB2 ASN A 40 40.067 13.957 13.065 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.241 14.790 11.764 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.667 15.095 10.032 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.599 16.291 10.773 1.00 1.19 H new ATOM 662 N ILE A 41 40.710 18.315 12.077 1.00 0.13 N ATOM 663 CA ILE A 41 40.290 19.473 11.239 1.00 0.12 C ATOM 664 C ILE A 41 39.893 18.985 9.843 1.00 0.13 C ATOM 665 O ILE A 41 38.881 19.386 9.302 1.00 0.14 O ATOM 666 CB ILE A 41 41.444 20.480 11.155 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.559 21.188 12.516 1.00 0.13 C ATOM 668 CG2 ILE A 41 41.164 21.497 10.036 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.729 22.172 12.515 1.00 0.16 C ATOM 0 H ILE A 41 41.577 18.448 12.598 1.00 0.13 H new ATOM 0 HA ILE A 41 39.426 19.963 11.689 1.00 0.12 H new ATOM 0 HB ILE A 41 42.381 19.973 10.924 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.632 21.718 12.736 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.699 20.449 13.305 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.986 22.211 9.979 1.00 0.15 H new ATOM 0 HG22 ILE A 41 41.071 20.974 9.084 1.00 0.15 H new ATOM 0 HG23 ILE A 41 40.236 22.028 10.251 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.793 22.662 13.486 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.656 21.634 12.318 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.573 22.922 11.740 1.00 0.16 H new ATOM 681 N GLU A 42 40.671 18.124 9.256 1.00 0.15 N ATOM 682 CA GLU A 42 40.322 17.620 7.905 1.00 0.16 C ATOM 683 C GLU A 42 38.898 17.072 7.932 1.00 0.16 C ATOM 684 O GLU A 42 38.207 17.080 6.940 1.00 0.19 O ATOM 685 CB GLU A 42 41.298 16.514 7.498 1.00 0.19 C ATOM 686 CG GLU A 42 42.657 17.132 7.164 1.00 0.26 C ATOM 687 CD GLU A 42 43.653 16.023 6.823 1.00 1.04 C ATOM 688 OE1 GLU A 42 43.246 14.873 6.805 1.00 1.67 O ATOM 689 OE2 GLU A 42 44.806 16.341 6.586 1.00 1.80 O ATOM 0 H GLU A 42 41.532 17.748 9.653 1.00 0.15 H new ATOM 0 HA GLU A 42 40.388 18.432 7.181 1.00 0.16 H new ATOM 0 HB2 GLU A 42 41.404 15.792 8.307 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.911 15.972 6.635 1.00 0.19 H new ATOM 0 HG2 GLU A 42 42.559 17.818 6.323 1.00 0.26 H new ATOM 0 HG3 GLU A 42 43.021 17.715 8.010 1.00 0.26 H new ATOM 696 N GLU A 43 38.450 16.601 9.065 1.00 0.15 N ATOM 697 CA GLU A 43 37.057 16.072 9.157 1.00 0.16 C ATOM 698 C GLU A 43 36.114 17.214 9.546 1.00 0.15 C ATOM 699 O GLU A 43 35.073 17.405 8.949 1.00 0.21 O ATOM 700 CB GLU A 43 36.988 14.970 10.215 1.00 0.18 C ATOM 701 CG GLU A 43 35.634 14.262 10.125 1.00 0.33 C ATOM 702 CD GLU A 43 35.600 13.381 8.875 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.554 12.651 8.663 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.620 13.451 8.152 1.00 1.95 O ATOM 0 H GLU A 43 38.988 16.559 9.931 1.00 0.15 H new ATOM 0 HA GLU A 43 36.760 15.658 8.193 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.796 14.254 10.063 1.00 0.18 H new ATOM 0 HB3 GLU A 43 37.122 15.396 11.209 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.469 13.655 11.015 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.830 14.997 10.087 1.00 0.33 H new ATOM 711 N ALA A 44 36.467 17.968 10.556 1.00 0.13 N ATOM 712 CA ALA A 44 35.585 19.092 10.999 1.00 0.14 C ATOM 713 C ALA A 44 35.470 20.156 9.899 1.00 0.16 C ATOM 714 O ALA A 44 34.393 20.631 9.597 1.00 0.20 O ATOM 715 CB ALA A 44 36.165 19.739 12.266 1.00 0.14 C ATOM 0 H ALA A 44 37.327 17.855 11.093 1.00 0.13 H new ATOM 0 HA ALA A 44 34.594 18.689 11.208 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.519 20.557 12.585 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.226 18.994 13.060 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.162 20.125 12.054 1.00 0.14 H new ATOM 721 N SER A 45 36.567 20.554 9.315 1.00 0.16 N ATOM 722 CA SER A 45 36.505 21.608 8.260 1.00 0.21 C ATOM 723 C SER A 45 35.404 21.278 7.251 1.00 0.20 C ATOM 724 O SER A 45 34.886 22.146 6.577 1.00 0.32 O ATOM 725 CB SER A 45 37.850 21.690 7.541 1.00 0.26 C ATOM 726 OG SER A 45 37.665 22.283 6.262 1.00 1.01 O ATOM 0 H SER A 45 37.500 20.197 9.521 1.00 0.16 H new ATOM 0 HA SER A 45 36.282 22.567 8.728 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.554 22.279 8.129 1.00 0.26 H new ATOM 0 HB3 SER A 45 38.279 20.694 7.434 1.00 0.26 H new ATOM 0 HG SER A 45 38.527 22.338 5.799 1.00 1.01 H new ATOM 732 N ARG A 46 35.046 20.031 7.138 1.00 0.18 N ATOM 733 CA ARG A 46 33.984 19.641 6.170 1.00 0.20 C ATOM 734 C ARG A 46 32.613 19.886 6.806 1.00 0.16 C ATOM 735 O ARG A 46 31.724 20.441 6.192 1.00 0.22 O ATOM 736 CB ARG A 46 34.140 18.154 5.817 1.00 0.23 C ATOM 737 CG ARG A 46 35.230 17.974 4.747 1.00 0.85 C ATOM 738 CD ARG A 46 36.540 18.632 5.209 1.00 1.14 C ATOM 739 NE ARG A 46 36.520 20.091 4.858 1.00 1.59 N ATOM 740 CZ ARG A 46 36.455 20.500 3.619 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.507 19.643 2.636 1.00 2.66 N ATOM 742 NH2 ARG A 46 36.370 21.776 3.359 1.00 2.87 N ATOM 0 H ARG A 46 35.444 19.262 7.676 1.00 0.18 H new ATOM 0 HA ARG A 46 34.072 20.235 5.260 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.400 17.586 6.710 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.192 17.758 5.452 1.00 0.23 H new ATOM 0 HG2 ARG A 46 35.394 16.913 4.559 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.904 18.418 3.806 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.662 18.508 6.285 1.00 1.14 H new ATOM 0 HD3 ARG A 46 37.391 18.145 4.734 1.00 1.14 H new ATOM 0 HE ARG A 46 36.558 20.782 5.607 1.00 1.59 H new ATOM 0 HH11 ARG A 46 36.599 18.646 2.833 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.456 19.970 1.671 1.00 2.66 H new ATOM 0 HH21 ARG A 46 36.354 22.452 4.123 1.00 2.87 H new ATOM 0 HH22 ARG A 46 36.319 22.097 2.392 1.00 2.87 H new ATOM 756 N ARG A 47 32.439 19.482 8.033 1.00 0.13 N ATOM 757 CA ARG A 47 31.128 19.700 8.707 1.00 0.13 C ATOM 758 C ARG A 47 30.764 21.181 8.619 1.00 0.11 C ATOM 759 O ARG A 47 29.701 21.547 8.159 1.00 0.13 O ATOM 760 CB ARG A 47 31.229 19.284 10.178 1.00 0.18 C ATOM 761 CG ARG A 47 31.821 17.876 10.274 1.00 0.49 C ATOM 762 CD ARG A 47 31.804 17.408 11.731 1.00 0.62 C ATOM 763 NE ARG A 47 32.042 15.937 11.778 1.00 0.81 N ATOM 764 CZ ARG A 47 32.340 15.357 12.909 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.423 16.062 14.003 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.556 14.070 12.945 1.00 1.63 N ATOM 0 H ARG A 47 33.146 19.011 8.598 1.00 0.13 H new ATOM 0 HA ARG A 47 30.360 19.101 8.218 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.854 19.990 10.724 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.243 19.307 10.641 1.00 0.18 H new ATOM 0 HG2 ARG A 47 31.248 17.187 9.654 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.842 17.874 9.893 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.571 17.931 12.302 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.845 17.648 12.191 1.00 0.62 H new ATOM 0 HE ARG A 47 31.972 15.383 10.925 1.00 0.81 H new ATOM 0 HH11 ARG A 47 32.255 17.068 13.976 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.656 15.608 14.886 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.492 13.518 12.090 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.789 13.616 13.828 1.00 1.63 H new ATOM 780 N ILE A 48 31.649 22.035 9.050 1.00 0.10 N ATOM 781 CA ILE A 48 31.373 23.497 8.988 1.00 0.10 C ATOM 782 C ILE A 48 31.027 23.880 7.552 1.00 0.11 C ATOM 783 O ILE A 48 29.957 24.385 7.274 1.00 0.13 O ATOM 784 CB ILE A 48 32.612 24.258 9.451 1.00 0.10 C ATOM 785 CG1 ILE A 48 33.090 23.655 10.778 1.00 0.09 C ATOM 786 CG2 ILE A 48 32.250 25.731 9.647 1.00 0.11 C ATOM 787 CD1 ILE A 48 34.194 24.523 11.382 1.00 0.10 C ATOM 0 H ILE A 48 32.555 21.782 9.444 1.00 0.10 H new ATOM 0 HA ILE A 48 30.534 23.750 9.637 1.00 0.10 H new ATOM 0 HB ILE A 48 33.406 24.181 8.708 1.00 0.10 H new ATOM 0 HG12 ILE A 48 32.254 23.579 11.474 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.461 22.643 10.614 1.00 0.09 H new ATOM 0 HG21 ILE A 48 33.131 26.281 9.978 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.895 26.147 8.704 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.465 25.816 10.399 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.526 24.086 12.324 1.00 0.10 H new ATOM 0 HD12 ILE A 48 35.035 24.576 10.690 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.809 25.527 11.563 1.00 0.10 H new ATOM 799 N GLU A 49 31.916 23.628 6.633 1.00 0.11 N ATOM 800 CA GLU A 49 31.629 23.960 5.207 1.00 0.12 C ATOM 801 C GLU A 49 30.256 23.410 4.845 1.00 0.12 C ATOM 802 O GLU A 49 29.346 24.143 4.510 1.00 0.13 O ATOM 803 CB GLU A 49 32.673 23.289 4.324 1.00 0.13 C ATOM 804 CG GLU A 49 33.983 24.079 4.379 1.00 0.15 C ATOM 805 CD GLU A 49 33.857 25.341 3.524 1.00 0.17 C ATOM 806 OE1 GLU A 49 33.411 26.347 4.051 1.00 1.08 O ATOM 807 OE2 GLU A 49 34.208 25.281 2.358 1.00 1.09 O ATOM 0 H GLU A 49 32.829 23.207 6.806 1.00 0.11 H new ATOM 0 HA GLU A 49 31.654 25.040 5.061 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.841 22.265 4.657 1.00 0.13 H new ATOM 0 HB3 GLU A 49 32.313 23.235 3.297 1.00 0.13 H new ATOM 0 HG2 GLU A 49 34.215 24.347 5.410 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.806 23.463 4.017 1.00 0.15 H new ATOM 814 N GLU A 50 30.092 22.119 4.943 1.00 0.12 N ATOM 815 CA GLU A 50 28.768 21.518 4.639 1.00 0.13 C ATOM 816 C GLU A 50 27.738 22.267 5.468 1.00 0.12 C ATOM 817 O GLU A 50 26.568 22.284 5.170 1.00 0.12 O ATOM 818 CB GLU A 50 28.766 20.036 5.024 1.00 0.14 C ATOM 819 CG GLU A 50 27.503 19.365 4.475 1.00 0.17 C ATOM 820 CD GLU A 50 27.651 19.150 2.967 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.313 20.056 2.223 1.00 2.03 O ATOM 822 OE2 GLU A 50 28.100 18.083 2.582 1.00 1.74 O ATOM 0 H GLU A 50 30.818 21.458 5.220 1.00 0.12 H new ATOM 0 HA GLU A 50 28.543 21.593 3.575 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.654 19.545 4.625 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.804 19.931 6.108 1.00 0.14 H new ATOM 0 HG2 GLU A 50 27.340 18.410 4.975 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.631 19.985 4.680 1.00 0.17 H new ATOM 829 N GLY A 51 28.193 22.911 6.504 1.00 0.11 N ATOM 830 CA GLY A 51 27.260 23.695 7.364 1.00 0.10 C ATOM 831 C GLY A 51 27.021 25.050 6.700 1.00 0.10 C ATOM 832 O GLY A 51 25.899 25.449 6.458 1.00 0.11 O ATOM 0 H GLY A 51 29.171 22.930 6.794 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.318 23.161 7.487 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.683 23.829 8.360 1.00 0.10 H new ATOM 836 N GLN A 52 28.077 25.748 6.382 1.00 0.10 N ATOM 837 CA GLN A 52 27.932 27.067 5.706 1.00 0.12 C ATOM 838 C GLN A 52 27.028 26.887 4.495 1.00 0.12 C ATOM 839 O GLN A 52 26.113 27.651 4.263 1.00 0.13 O ATOM 840 CB GLN A 52 29.310 27.550 5.253 1.00 0.14 C ATOM 841 CG GLN A 52 30.240 27.630 6.465 1.00 0.19 C ATOM 842 CD GLN A 52 29.875 28.850 7.308 1.00 0.42 C ATOM 843 OE1 GLN A 52 29.075 29.668 6.900 1.00 0.95 O ATOM 844 NE2 GLN A 52 30.430 29.007 8.477 1.00 0.39 N ATOM 0 H GLN A 52 29.038 25.459 6.563 1.00 0.10 H new ATOM 0 HA GLN A 52 27.500 27.801 6.387 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.721 26.868 4.509 1.00 0.14 H new ATOM 0 HB3 GLN A 52 29.228 28.528 4.778 1.00 0.14 H new ATOM 0 HG2 GLN A 52 30.154 26.723 7.063 1.00 0.19 H new ATOM 0 HG3 GLN A 52 31.277 27.699 6.137 1.00 0.19 H new ATOM 0 HE21 GLN A 52 31.102 28.320 8.819 1.00 0.39 H new ATOM 0 HE22 GLN A 52 30.193 29.817 9.050 1.00 0.39 H new ATOM 853 N TYR A 53 27.276 25.865 3.730 1.00 0.12 N ATOM 854 CA TYR A 53 26.422 25.613 2.536 1.00 0.13 C ATOM 855 C TYR A 53 24.967 25.444 2.998 1.00 0.13 C ATOM 856 O TYR A 53 24.063 26.039 2.450 1.00 0.15 O ATOM 857 CB TYR A 53 26.907 24.347 1.799 1.00 0.14 C ATOM 858 CG TYR A 53 25.807 23.819 0.897 1.00 0.15 C ATOM 859 CD1 TYR A 53 24.791 23.035 1.445 1.00 0.16 C ATOM 860 CD2 TYR A 53 25.793 24.126 -0.468 1.00 0.17 C ATOM 861 CE1 TYR A 53 23.758 22.553 0.641 1.00 0.18 C ATOM 862 CE2 TYR A 53 24.757 23.646 -1.280 1.00 0.19 C ATOM 863 CZ TYR A 53 23.737 22.859 -0.725 1.00 0.19 C ATOM 864 OH TYR A 53 22.716 22.386 -1.523 1.00 0.22 O ATOM 0 H TYR A 53 28.030 25.194 3.877 1.00 0.12 H new ATOM 0 HA TYR A 53 26.488 26.454 1.846 1.00 0.13 H new ATOM 0 HB2 TYR A 53 27.794 24.577 1.209 1.00 0.14 H new ATOM 0 HB3 TYR A 53 27.194 23.583 2.521 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.805 22.800 2.499 1.00 0.16 H new ATOM 0 HD2 TYR A 53 26.579 24.732 -0.895 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.976 21.945 1.071 1.00 0.18 H new ATOM 0 HE2 TYR A 53 24.744 23.882 -2.334 1.00 0.19 H new ATOM 0 HH TYR A 53 22.853 22.691 -2.444 1.00 0.22 H new ATOM 874 N VAL A 54 24.732 24.637 3.999 1.00 0.15 N ATOM 875 CA VAL A 54 23.330 24.445 4.475 1.00 0.14 C ATOM 876 C VAL A 54 22.714 25.814 4.760 1.00 0.14 C ATOM 877 O VAL A 54 21.766 26.229 4.124 1.00 0.15 O ATOM 878 CB VAL A 54 23.303 23.609 5.768 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.853 23.519 6.258 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.858 22.178 5.521 1.00 0.14 C ATOM 0 H VAL A 54 25.442 24.107 4.504 1.00 0.15 H new ATOM 0 HA VAL A 54 22.765 23.920 3.704 1.00 0.14 H new ATOM 0 HB VAL A 54 23.933 24.090 6.516 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.814 22.930 7.174 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.473 24.521 6.455 1.00 0.14 H new ATOM 0 HG13 VAL A 54 21.240 23.042 5.494 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.827 21.610 6.451 1.00 0.14 H new ATOM 0 HG22 VAL A 54 23.249 21.676 4.769 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.888 22.243 5.170 1.00 0.14 H new ATOM 890 N VAL A 55 23.250 26.514 5.718 1.00 0.15 N ATOM 891 CA VAL A 55 22.710 27.857 6.062 1.00 0.16 C ATOM 892 C VAL A 55 22.723 28.745 4.816 1.00 0.19 C ATOM 893 O VAL A 55 21.707 29.264 4.400 1.00 0.22 O ATOM 894 CB VAL A 55 23.585 28.483 7.153 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.934 29.767 7.674 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.741 27.488 8.307 1.00 0.13 C ATOM 0 H VAL A 55 24.045 26.211 6.282 1.00 0.15 H new ATOM 0 HA VAL A 55 21.686 27.763 6.424 1.00 0.16 H new ATOM 0 HB VAL A 55 24.563 28.723 6.736 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.563 30.205 8.449 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.821 30.476 6.854 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.954 29.535 8.090 1.00 0.29 H new ATOM 0 HG21 VAL A 55 24.363 27.929 9.086 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.760 27.250 8.717 1.00 0.13 H new ATOM 0 HG23 VAL A 55 24.212 26.576 7.940 1.00 0.13 H new ATOM 906 N ASN A 56 23.868 28.923 4.220 1.00 0.22 N ATOM 907 CA ASN A 56 23.955 29.779 3.002 1.00 0.27 C ATOM 908 C ASN A 56 22.949 29.293 1.954 1.00 0.26 C ATOM 909 O ASN A 56 22.150 30.054 1.446 1.00 0.33 O ATOM 910 CB ASN A 56 25.368 29.697 2.422 1.00 0.35 C ATOM 911 CG ASN A 56 26.379 30.175 3.466 1.00 0.71 C ATOM 912 OD1 ASN A 56 26.007 30.571 4.553 1.00 1.56 O ATOM 913 ND2 ASN A 56 27.652 30.156 3.179 1.00 0.90 N ATOM 0 H ASN A 56 24.751 28.512 4.524 1.00 0.22 H new ATOM 0 HA ASN A 56 23.727 30.810 3.271 1.00 0.27 H new ATOM 0 HB2 ASN A 56 25.592 28.672 2.127 1.00 0.35 H new ATOM 0 HB3 ASN A 56 25.440 30.310 1.524 1.00 0.35 H new ATOM 0 HD21 ASN A 56 28.335 30.474 3.867 1.00 0.90 H new ATOM 0 HD22 ASN A 56 27.964 29.824 2.267 1.00 0.90 H new ATOM 920 N GLU A 57 22.988 28.031 1.623 1.00 0.24 N ATOM 921 CA GLU A 57 22.041 27.495 0.602 1.00 0.26 C ATOM 922 C GLU A 57 20.600 27.682 1.083 1.00 0.25 C ATOM 923 O GLU A 57 19.766 28.210 0.376 1.00 0.32 O ATOM 924 CB GLU A 57 22.316 26.004 0.385 1.00 0.29 C ATOM 925 CG GLU A 57 21.518 25.504 -0.822 1.00 0.50 C ATOM 926 CD GLU A 57 22.111 26.089 -2.105 1.00 1.58 C ATOM 927 OE1 GLU A 57 23.096 25.549 -2.579 1.00 2.31 O ATOM 928 OE2 GLU A 57 21.567 27.066 -2.593 1.00 2.37 O ATOM 0 H GLU A 57 23.635 27.347 2.015 1.00 0.24 H new ATOM 0 HA GLU A 57 22.180 28.033 -0.335 1.00 0.26 H new ATOM 0 HB2 GLU A 57 23.381 25.840 0.222 1.00 0.29 H new ATOM 0 HB3 GLU A 57 22.039 25.440 1.276 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.542 24.415 -0.861 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.472 25.796 -0.726 1.00 0.50 H new ATOM 935 N TYR A 58 20.298 27.251 2.275 1.00 0.22 N ATOM 936 CA TYR A 58 18.909 27.407 2.787 1.00 0.26 C ATOM 937 C TYR A 58 18.597 28.894 2.967 1.00 0.32 C ATOM 938 O TYR A 58 17.453 29.293 3.058 1.00 0.46 O ATOM 939 CB TYR A 58 18.776 26.678 4.129 1.00 0.33 C ATOM 940 CG TYR A 58 17.441 27.003 4.759 1.00 0.77 C ATOM 941 CD1 TYR A 58 16.290 26.311 4.365 1.00 0.82 C ATOM 942 CD2 TYR A 58 17.358 28.002 5.735 1.00 1.98 C ATOM 943 CE1 TYR A 58 15.055 26.619 4.948 1.00 0.99 C ATOM 944 CE2 TYR A 58 16.123 28.310 6.319 1.00 2.44 C ATOM 945 CZ TYR A 58 14.971 27.619 5.925 1.00 1.71 C ATOM 946 OH TYR A 58 13.753 27.924 6.498 1.00 2.18 O ATOM 0 H TYR A 58 20.951 26.799 2.915 1.00 0.22 H new ATOM 0 HA TYR A 58 18.204 26.977 2.075 1.00 0.26 H new ATOM 0 HB2 TYR A 58 18.865 25.602 3.979 1.00 0.33 H new ATOM 0 HB3 TYR A 58 19.585 26.975 4.796 1.00 0.33 H new ATOM 0 HD1 TYR A 58 16.355 25.540 3.612 1.00 0.82 H new ATOM 0 HD2 TYR A 58 18.247 28.536 6.038 1.00 1.98 H new ATOM 0 HE1 TYR A 58 14.167 26.085 4.644 1.00 0.99 H new ATOM 0 HE2 TYR A 58 16.059 29.080 7.073 1.00 2.44 H new ATOM 0 HH TYR A 58 13.872 28.640 7.157 1.00 2.18 H new ATOM 956 N SER A 59 19.607 29.715 3.020 1.00 0.40 N ATOM 957 CA SER A 59 19.382 31.179 3.196 1.00 0.52 C ATOM 958 C SER A 59 19.219 31.849 1.827 1.00 0.55 C ATOM 959 O SER A 59 18.215 32.474 1.549 1.00 0.70 O ATOM 960 CB SER A 59 20.581 31.786 3.920 1.00 0.61 C ATOM 961 OG SER A 59 20.540 31.410 5.290 1.00 1.22 O ATOM 0 H SER A 59 20.585 29.435 2.949 1.00 0.40 H new ATOM 0 HA SER A 59 18.477 31.339 3.782 1.00 0.52 H new ATOM 0 HB2 SER A 59 21.509 31.441 3.464 1.00 0.61 H new ATOM 0 HB3 SER A 59 20.565 32.872 3.828 1.00 0.61 H new ATOM 0 HG SER A 59 21.081 30.604 5.424 1.00 1.22 H new ATOM 967 N ARG A 60 20.201 31.730 0.972 1.00 0.55 N ATOM 968 CA ARG A 60 20.100 32.369 -0.373 1.00 0.68 C ATOM 969 C ARG A 60 18.799 31.934 -1.048 1.00 0.68 C ATOM 970 O ARG A 60 18.379 32.506 -2.035 1.00 0.81 O ATOM 971 CB ARG A 60 21.306 31.955 -1.235 1.00 0.80 C ATOM 972 CG ARG A 60 21.187 30.473 -1.676 1.00 1.08 C ATOM 973 CD ARG A 60 20.657 30.377 -3.115 1.00 1.52 C ATOM 974 NE ARG A 60 21.766 30.646 -4.075 1.00 2.16 N ATOM 975 CZ ARG A 60 21.637 30.315 -5.332 1.00 2.72 C ATOM 976 NH1 ARG A 60 20.541 29.744 -5.748 1.00 2.84 N ATOM 977 NH2 ARG A 60 22.607 30.555 -6.172 1.00 3.69 N ATOM 0 H ARG A 60 21.066 31.219 1.146 1.00 0.55 H new ATOM 0 HA ARG A 60 20.100 33.453 -0.262 1.00 0.68 H new ATOM 0 HB2 ARG A 60 21.367 32.597 -2.114 1.00 0.80 H new ATOM 0 HB3 ARG A 60 22.228 32.098 -0.671 1.00 0.80 H new ATOM 0 HG2 ARG A 60 22.161 29.989 -1.609 1.00 1.08 H new ATOM 0 HG3 ARG A 60 20.518 29.940 -1.000 1.00 1.08 H new ATOM 0 HD2 ARG A 60 20.240 29.386 -3.294 1.00 1.52 H new ATOM 0 HD3 ARG A 60 19.850 31.095 -3.265 1.00 1.52 H new ATOM 0 HE ARG A 60 22.626 31.089 -3.750 1.00 2.16 H new ATOM 0 HH11 ARG A 60 19.783 29.555 -5.092 1.00 2.84 H new ATOM 0 HH12 ARG A 60 20.441 29.486 -6.730 1.00 2.84 H new ATOM 0 HH21 ARG A 60 23.465 31.001 -5.847 1.00 3.69 H new ATOM 0 HH22 ARG A 60 22.507 30.297 -7.154 1.00 3.69 H new ATOM 991 N GLN A 61 18.155 30.929 -0.524 1.00 0.65 N ATOM 992 CA GLN A 61 16.879 30.462 -1.135 1.00 0.75 C ATOM 993 C GLN A 61 15.747 31.408 -0.729 1.00 0.82 C ATOM 994 O GLN A 61 14.959 31.837 -1.548 1.00 0.98 O ATOM 995 CB GLN A 61 16.567 29.048 -0.642 1.00 0.78 C ATOM 996 CG GLN A 61 15.465 28.436 -1.509 1.00 1.35 C ATOM 997 CD GLN A 61 15.202 26.998 -1.059 1.00 1.81 C ATOM 998 OE1 GLN A 61 16.125 26.263 -0.767 1.00 2.46 O ATOM 999 NE2 GLN A 61 13.974 26.562 -0.991 1.00 2.39 N ATOM 0 H GLN A 61 18.457 30.411 0.301 1.00 0.65 H new ATOM 0 HA GLN A 61 16.974 30.454 -2.221 1.00 0.75 H new ATOM 0 HB2 GLN A 61 17.464 28.430 -0.686 1.00 0.78 H new ATOM 0 HB3 GLN A 61 16.250 29.077 0.401 1.00 0.78 H new ATOM 0 HG2 GLN A 61 14.553 29.027 -1.427 1.00 1.35 H new ATOM 0 HG3 GLN A 61 15.762 28.452 -2.558 1.00 1.35 H new ATOM 0 HE21 GLN A 61 13.199 27.179 -1.236 1.00 2.39 H new ATOM 0 HE22 GLN A 61 13.789 25.604 -0.693 1.00 2.39 H new ATOM 1008 N HIS A 62 15.662 31.737 0.532 1.00 0.86 N ATOM 1009 CA HIS A 62 14.583 32.657 0.993 1.00 1.04 C ATOM 1010 C HIS A 62 14.988 34.103 0.702 1.00 1.08 C ATOM 1011 O HIS A 62 14.288 35.034 1.044 1.00 1.27 O ATOM 1012 CB HIS A 62 14.371 32.479 2.498 1.00 1.15 C ATOM 1013 CG HIS A 62 13.879 31.085 2.773 1.00 1.32 C ATOM 1014 ND1 HIS A 62 13.273 30.307 1.795 1.00 1.81 N ATOM 1015 CD2 HIS A 62 13.894 30.314 3.910 1.00 1.57 C ATOM 1016 CE1 HIS A 62 12.952 29.126 2.356 1.00 1.95 C ATOM 1017 NE2 HIS A 62 13.309 29.083 3.640 1.00 1.81 N ATOM 0 H HIS A 62 16.293 31.408 1.263 1.00 0.86 H new ATOM 0 HA HIS A 62 13.657 32.426 0.466 1.00 1.04 H new ATOM 0 HB2 HIS A 62 15.304 32.659 3.031 1.00 1.15 H new ATOM 0 HB3 HIS A 62 13.649 33.210 2.863 1.00 1.15 H new ATOM 0 HD2 HIS A 62 14.298 30.617 4.865 1.00 1.57 H new ATOM 0 HE1 HIS A 62 12.467 28.316 1.832 1.00 1.95 H new ATOM 0 HE2 HIS A 62 13.179 28.307 4.289 1.00 1.81 H new ATOM 1025 N ASN A 63 16.117 34.294 0.075 1.00 1.07 N ATOM 1026 CA ASN A 63 16.576 35.677 -0.241 1.00 1.28 C ATOM 1027 C ASN A 63 16.673 36.495 1.049 1.00 1.39 C ATOM 1028 O ASN A 63 15.677 36.859 1.643 1.00 1.84 O ATOM 1029 CB ASN A 63 15.584 36.342 -1.198 1.00 1.47 C ATOM 1030 CG ASN A 63 15.249 35.377 -2.337 1.00 1.99 C ATOM 1031 OD1 ASN A 63 14.100 35.221 -2.699 1.00 2.62 O ATOM 1032 ND2 ASN A 63 16.212 34.718 -2.922 1.00 2.68 N ATOM 0 H ASN A 63 16.743 33.550 -0.233 1.00 1.07 H new ATOM 0 HA ASN A 63 17.557 35.631 -0.713 1.00 1.28 H new ATOM 0 HB2 ASN A 63 14.676 36.619 -0.663 1.00 1.47 H new ATOM 0 HB3 ASN A 63 16.010 37.261 -1.599 1.00 1.47 H new ATOM 0 HD21 ASN A 63 15.999 34.073 -3.683 1.00 2.68 H new ATOM 0 HD22 ASN A 63 17.177 34.849 -2.619 1.00 2.68 H new ATOM 1039 N LEU A 64 17.869 36.786 1.483 1.00 1.34 N ATOM 1040 CA LEU A 64 18.046 37.581 2.731 1.00 1.51 C ATOM 1041 C LEU A 64 17.884 39.068 2.400 1.00 1.81 C ATOM 1042 O LEU A 64 18.744 39.878 2.681 1.00 2.42 O ATOM 1043 CB LEU A 64 19.448 37.320 3.313 1.00 1.61 C ATOM 1044 CG LEU A 64 20.466 37.110 2.167 1.00 1.76 C ATOM 1045 CD1 LEU A 64 21.859 37.574 2.613 1.00 1.87 C ATOM 1046 CD2 LEU A 64 20.527 35.619 1.777 1.00 2.54 C ATOM 0 H LEU A 64 18.736 36.506 1.024 1.00 1.34 H new ATOM 0 HA LEU A 64 17.298 37.289 3.468 1.00 1.51 H new ATOM 0 HB2 LEU A 64 19.755 38.161 3.934 1.00 1.61 H new ATOM 0 HB3 LEU A 64 19.426 36.440 3.956 1.00 1.61 H new ATOM 0 HG LEU A 64 20.146 37.695 1.305 1.00 1.76 H new ATOM 0 HD11 LEU A 64 22.570 37.423 1.801 1.00 1.87 H new ATOM 0 HD12 LEU A 64 21.824 38.632 2.873 1.00 1.87 H new ATOM 0 HD13 LEU A 64 22.174 36.997 3.483 1.00 1.87 H new ATOM 0 HD21 LEU A 64 21.247 35.483 0.970 1.00 2.54 H new ATOM 0 HD22 LEU A 64 20.835 35.029 2.640 1.00 2.54 H new ATOM 0 HD23 LEU A 64 19.543 35.289 1.445 1.00 2.54 H new ATOM 1058 N ASN A 65 16.785 39.426 1.804 1.00 2.02 N ATOM 1059 CA ASN A 65 16.559 40.857 1.451 1.00 2.49 C ATOM 1060 C ASN A 65 16.324 41.654 2.738 1.00 3.04 C ATOM 1061 O ASN A 65 15.206 41.837 3.178 1.00 3.62 O ATOM 1062 CB ASN A 65 15.336 40.971 0.524 1.00 3.04 C ATOM 1063 CG ASN A 65 15.466 42.206 -0.375 1.00 3.59 C ATOM 1064 OD1 ASN A 65 15.688 43.300 0.105 1.00 4.09 O ATOM 1065 ND2 ASN A 65 15.337 42.074 -1.667 1.00 4.13 N ATOM 0 H ASN A 65 16.030 38.791 1.544 1.00 2.02 H new ATOM 0 HA ASN A 65 17.430 41.257 0.932 1.00 2.49 H new ATOM 0 HB2 ASN A 65 15.250 40.074 -0.089 1.00 3.04 H new ATOM 0 HB3 ASN A 65 14.425 41.039 1.119 1.00 3.04 H new ATOM 0 HD21 ASN A 65 15.423 42.889 -2.274 1.00 4.13 H new ATOM 0 HD22 ASN A 65 15.151 41.156 -2.070 1.00 4.13 H new ATOM 1072 N ILE A 66 17.375 42.118 3.350 1.00 0.00 N ATOM 1073 CA ILE A 66 17.228 42.891 4.614 1.00 0.00 C ATOM 1074 C ILE A 66 16.975 44.361 4.301 1.00 0.00 C ATOM 1075 O ILE A 66 16.063 44.975 4.819 1.00 0.00 O ATOM 1076 CB ILE A 66 18.509 42.761 5.410 1.00 0.00 C ATOM 1077 CG1 ILE A 66 18.698 41.295 5.772 1.00 0.00 C ATOM 1078 CG2 ILE A 66 18.410 43.603 6.685 1.00 0.00 C ATOM 1079 CD1 ILE A 66 20.094 41.110 6.329 1.00 0.00 C ATOM 0 H ILE A 66 18.335 41.995 3.028 1.00 0.00 H new ATOM 0 HA ILE A 66 16.385 42.502 5.186 1.00 0.00 H new ATOM 0 HB ILE A 66 19.357 43.114 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 66 17.954 40.988 6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 66 18.555 40.667 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 66 19.333 43.508 7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 66 18.254 44.649 6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 66 17.572 43.253 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 66 20.245 40.063 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 66 20.827 41.404 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 66 20.216 41.730 7.217 1.00 0.00 H new ATOM 1091 N TYR A 67 17.787 44.929 3.458 1.00 0.00 N ATOM 1092 CA TYR A 67 17.620 46.370 3.098 1.00 0.00 C ATOM 1093 C TYR A 67 16.695 46.495 1.887 1.00 0.00 C ATOM 1094 O TYR A 67 15.797 45.699 1.693 1.00 0.00 O ATOM 1095 CB TYR A 67 18.985 46.971 2.755 1.00 0.00 C ATOM 1096 CG TYR A 67 19.996 46.556 3.797 1.00 0.00 C ATOM 1097 CD1 TYR A 67 20.161 47.324 4.956 1.00 0.00 C ATOM 1098 CD2 TYR A 67 20.770 45.405 3.604 1.00 0.00 C ATOM 1099 CE1 TYR A 67 21.099 46.941 5.922 1.00 0.00 C ATOM 1100 CE2 TYR A 67 21.707 45.022 4.570 1.00 0.00 C ATOM 1101 CZ TYR A 67 21.872 45.790 5.729 1.00 0.00 C ATOM 1102 OH TYR A 67 22.796 45.413 6.681 1.00 0.00 O ATOM 0 H TYR A 67 18.566 44.458 2.998 1.00 0.00 H new ATOM 0 HA TYR A 67 17.185 46.904 3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 67 19.305 46.634 1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 67 18.915 48.058 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 67 19.565 48.212 5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 67 20.644 44.813 2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 67 21.226 47.533 6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 67 22.303 44.134 4.422 1.00 0.00 H new ATOM 0 HH TYR A 67 23.246 44.592 6.393 1.00 0.00 H new ATOM 1112 N ASP A 68 16.907 47.490 1.070 1.00 0.00 N ATOM 1113 CA ASP A 68 16.041 47.668 -0.128 1.00 0.00 C ATOM 1114 C ASP A 68 16.687 48.677 -1.079 1.00 0.00 C ATOM 1115 O ASP A 68 16.930 48.390 -2.234 1.00 0.00 O ATOM 1116 CB ASP A 68 14.668 48.181 0.309 1.00 0.00 C ATOM 1117 CG ASP A 68 13.715 48.175 -0.888 1.00 0.00 C ATOM 1118 OD1 ASP A 68 14.056 47.567 -1.889 1.00 0.00 O ATOM 1119 OD2 ASP A 68 12.659 48.777 -0.782 1.00 0.00 O ATOM 0 H ASP A 68 17.643 48.187 1.181 1.00 0.00 H new ATOM 0 HA ASP A 68 15.925 46.712 -0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.271 47.553 1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.756 49.190 0.712 1.00 0.00 H new ATOM 1124 N GLY A 69 16.968 49.856 -0.601 1.00 0.00 N ATOM 1125 CA GLY A 69 17.601 50.885 -1.476 1.00 0.00 C ATOM 1126 C GLY A 69 16.590 51.367 -2.519 1.00 0.00 C ATOM 1127 O GLY A 69 16.518 52.540 -2.829 1.00 0.00 O ATOM 0 H GLY A 69 16.787 50.153 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.946 51.726 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.477 50.466 -1.971 1.00 0.00 H new ATOM 1131 N GLY A 70 15.811 50.465 -3.066 1.00 0.00 N ATOM 1132 CA GLY A 70 14.795 50.847 -4.100 1.00 0.00 C ATOM 1133 C GLY A 70 15.183 50.221 -5.441 1.00 0.00 C ATOM 1134 O GLY A 70 14.899 49.070 -5.703 1.00 0.00 O ATOM 0 H GLY A 70 15.835 49.471 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.805 50.505 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.743 51.932 -4.193 1.00 0.00 H new ATOM 1138 N GLU A 71 15.838 50.970 -6.290 1.00 0.00 N ATOM 1139 CA GLU A 71 16.258 50.423 -7.618 1.00 0.00 C ATOM 1140 C GLU A 71 17.729 50.006 -7.543 1.00 0.00 C ATOM 1141 O GLU A 71 18.615 50.756 -7.902 1.00 0.00 O ATOM 1142 CB GLU A 71 16.081 51.504 -8.693 1.00 0.00 C ATOM 1143 CG GLU A 71 16.501 52.869 -8.133 1.00 0.00 C ATOM 1144 CD GLU A 71 15.383 53.438 -7.254 1.00 0.00 C ATOM 1145 OE1 GLU A 71 14.379 52.764 -7.093 1.00 0.00 O ATOM 1146 OE2 GLU A 71 15.551 54.540 -6.758 1.00 0.00 O ATOM 0 H GLU A 71 16.102 51.941 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 71 15.646 49.558 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 71 16.682 51.260 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.041 51.539 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.417 52.767 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.718 53.556 -8.951 1.00 0.00 H new ATOM 1153 N LEU A 72 17.997 48.813 -7.079 1.00 0.00 N ATOM 1154 CA LEU A 72 19.412 48.343 -6.981 1.00 0.00 C ATOM 1155 C LEU A 72 19.813 47.649 -8.286 1.00 0.00 C ATOM 1156 O LEU A 72 20.763 46.893 -8.333 1.00 0.00 O ATOM 1157 CB LEU A 72 19.583 47.373 -5.790 1.00 0.00 C ATOM 1158 CG LEU A 72 18.360 46.446 -5.623 1.00 0.00 C ATOM 1159 CD1 LEU A 72 17.148 47.211 -5.029 1.00 0.00 C ATOM 1160 CD2 LEU A 72 17.996 45.813 -6.976 1.00 0.00 C ATOM 0 H LEU A 72 17.296 48.143 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 72 20.058 49.205 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 72 20.478 46.770 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.733 47.945 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 72 18.622 45.655 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.304 46.530 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.414 47.612 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.873 48.030 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.132 45.160 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.757 46.599 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.841 45.231 -7.344 1.00 0.00 H new ATOM 1172 N ARG A 73 19.095 47.900 -9.346 1.00 0.00 N ATOM 1173 CA ARG A 73 19.435 47.255 -10.645 1.00 0.00 C ATOM 1174 C ARG A 73 20.925 47.449 -10.935 1.00 0.00 C ATOM 1175 O ARG A 73 21.577 48.288 -10.346 1.00 0.00 O ATOM 1176 CB ARG A 73 18.606 47.890 -11.762 1.00 0.00 C ATOM 1177 CG ARG A 73 17.152 47.428 -11.640 1.00 0.00 C ATOM 1178 CD ARG A 73 16.318 48.058 -12.757 1.00 0.00 C ATOM 1179 NE ARG A 73 14.990 47.386 -12.827 1.00 0.00 N ATOM 1180 CZ ARG A 73 14.012 47.941 -13.490 1.00 0.00 C ATOM 1181 NH1 ARG A 73 14.201 49.082 -14.095 1.00 0.00 N ATOM 1182 NH2 ARG A 73 12.847 47.355 -13.550 1.00 0.00 N ATOM 0 H ARG A 73 18.288 48.524 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 73 19.213 46.189 -10.593 1.00 0.00 H new ATOM 0 HB2 ARG A 73 18.661 48.977 -11.698 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.009 47.607 -12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.099 46.341 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.750 47.712 -10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.188 49.124 -12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 73 16.837 47.962 -13.711 1.00 0.00 H new ATOM 0 HE ARG A 73 14.845 46.492 -12.357 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.112 49.539 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.438 49.517 -14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.700 46.463 -13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.084 47.790 -14.068 1.00 0.00 H new ATOM 1196 N ASN A 74 21.471 46.676 -11.837 1.00 0.00 N ATOM 1197 CA ASN A 74 22.922 46.809 -12.165 1.00 0.00 C ATOM 1198 C ASN A 74 23.151 46.409 -13.624 1.00 0.00 C ATOM 1199 O ASN A 74 23.955 46.996 -14.320 1.00 0.00 O ATOM 1200 CB ASN A 74 23.736 45.893 -11.246 1.00 0.00 C ATOM 1201 CG ASN A 74 23.019 44.550 -11.098 1.00 0.00 C ATOM 1202 OD1 ASN A 74 22.659 43.928 -12.078 1.00 0.00 O ATOM 1203 ND2 ASN A 74 22.796 44.072 -9.905 1.00 0.00 N ATOM 0 H ASN A 74 20.974 45.957 -12.362 1.00 0.00 H new ATOM 0 HA ASN A 74 23.238 47.842 -12.019 1.00 0.00 H new ATOM 0 HB2 ASN A 74 24.734 45.741 -11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 74 23.862 46.360 -10.269 1.00 0.00 H new ATOM 0 HD21 ASN A 74 22.320 43.177 -9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 74 23.098 44.593 -9.082 1.00 0.00 H new ATOM 1210 N THR A 75 22.451 45.412 -14.093 1.00 0.00 N ATOM 1211 CA THR A 75 22.628 44.974 -15.508 1.00 0.00 C ATOM 1212 C THR A 75 22.620 46.197 -16.427 1.00 0.00 C ATOM 1213 O THR A 75 21.626 46.886 -16.540 1.00 0.00 O ATOM 1214 CB THR A 75 21.482 44.038 -15.899 1.00 0.00 C ATOM 1215 OG1 THR A 75 20.244 44.637 -15.543 1.00 0.00 O ATOM 1216 CG2 THR A 75 21.636 42.705 -15.168 1.00 0.00 C ATOM 0 H THR A 75 21.764 44.881 -13.558 1.00 0.00 H new ATOM 0 HA THR A 75 23.578 44.450 -15.609 1.00 0.00 H new ATOM 0 HB THR A 75 21.506 43.862 -16.974 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.231 45.568 -15.850 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.819 42.040 -15.448 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.586 42.247 -15.442 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.613 42.875 -14.092 1.00 0.00 H new ATOM 1224 N THR A 76 23.726 46.464 -17.080 1.00 0.00 N ATOM 1225 CA THR A 76 23.823 47.641 -18.004 1.00 0.00 C ATOM 1226 C THR A 76 23.035 48.834 -17.448 1.00 0.00 C ATOM 1227 O THR A 76 22.982 49.052 -16.254 1.00 0.00 O ATOM 1228 CB THR A 76 23.295 47.265 -19.399 1.00 0.00 C ATOM 1229 OG1 THR A 76 23.373 48.401 -20.248 1.00 0.00 O ATOM 1230 CG2 THR A 76 21.839 46.788 -19.323 1.00 0.00 C ATOM 0 H THR A 76 24.579 45.908 -17.011 1.00 0.00 H new ATOM 0 HA THR A 76 24.872 47.927 -18.086 1.00 0.00 H new ATOM 0 HB THR A 76 23.905 46.453 -19.796 1.00 0.00 H new ATOM 0 HG1 THR A 76 23.039 48.167 -21.139 1.00 0.00 H new ATOM 0 HG21 THR A 76 21.489 46.528 -20.322 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.776 45.912 -18.677 1.00 0.00 H new ATOM 0 HG23 THR A 76 21.216 47.584 -18.916 1.00 0.00 H new ATOM 1238 N ARG A 77 22.421 49.604 -18.307 1.00 0.00 N ATOM 1239 CA ARG A 77 21.634 50.782 -17.844 1.00 0.00 C ATOM 1240 C ARG A 77 20.500 51.036 -18.840 1.00 0.00 C ATOM 1241 O ARG A 77 20.719 51.148 -20.029 1.00 0.00 O ATOM 1242 CB ARG A 77 22.548 52.019 -17.772 1.00 0.00 C ATOM 1243 CG ARG A 77 23.291 52.049 -16.426 1.00 0.00 C ATOM 1244 CD ARG A 77 24.136 53.334 -16.311 1.00 0.00 C ATOM 1245 NE ARG A 77 25.451 53.014 -15.669 1.00 0.00 N ATOM 1246 CZ ARG A 77 25.517 52.288 -14.582 1.00 0.00 C ATOM 1247 NH1 ARG A 77 24.432 51.954 -13.939 1.00 0.00 N ATOM 1248 NH2 ARG A 77 26.682 51.935 -14.111 1.00 0.00 N ATOM 0 H ARG A 77 22.432 49.465 -19.317 1.00 0.00 H new ATOM 0 HA ARG A 77 21.222 50.588 -16.854 1.00 0.00 H new ATOM 0 HB2 ARG A 77 23.266 51.999 -18.592 1.00 0.00 H new ATOM 0 HB3 ARG A 77 21.955 52.926 -17.889 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.574 52.002 -15.606 1.00 0.00 H new ATOM 0 HG3 ARG A 77 23.934 51.173 -16.338 1.00 0.00 H new ATOM 0 HD2 ARG A 77 24.297 53.765 -17.299 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.604 54.080 -15.721 1.00 0.00 H new ATOM 0 HE ARG A 77 26.311 53.369 -16.087 1.00 0.00 H new ATOM 0 HH11 ARG A 77 23.521 52.259 -14.283 1.00 0.00 H new ATOM 0 HH12 ARG A 77 24.494 51.388 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 77 27.535 52.225 -14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 77 26.740 51.369 -13.264 1.00 0.00 H new ATOM 1262 N GLN A 78 19.294 51.120 -18.357 1.00 0.00 N ATOM 1263 CA GLN A 78 18.134 51.364 -19.263 1.00 0.00 C ATOM 1264 C GLN A 78 18.248 52.762 -19.879 1.00 0.00 C ATOM 1265 O GLN A 78 17.361 53.582 -19.751 1.00 0.00 O ATOM 1266 CB GLN A 78 16.826 51.262 -18.466 1.00 0.00 C ATOM 1267 CG GLN A 78 16.908 52.127 -17.196 1.00 0.00 C ATOM 1268 CD GLN A 78 17.623 51.358 -16.080 1.00 0.00 C ATOM 1269 OE1 GLN A 78 17.223 50.268 -15.724 1.00 0.00 O ATOM 1270 NE2 GLN A 78 18.673 51.885 -15.510 1.00 0.00 N ATOM 0 H GLN A 78 19.058 51.030 -17.369 1.00 0.00 H new ATOM 0 HA GLN A 78 18.134 50.616 -20.056 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.989 51.588 -19.083 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.637 50.223 -18.196 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.443 53.052 -17.411 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.906 52.406 -16.871 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.010 52.800 -15.808 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.156 51.381 -14.766 1.00 0.00 H new ATOM 1279 N CYS A 79 19.335 53.038 -20.549 1.00 0.00 N ATOM 1280 CA CYS A 79 19.514 54.380 -21.177 1.00 0.00 C ATOM 1281 C CYS A 79 20.492 54.265 -22.348 1.00 0.00 C ATOM 1282 O CYS A 79 20.962 55.252 -22.877 1.00 0.00 O ATOM 1283 CB CYS A 79 20.076 55.356 -20.141 1.00 0.00 C ATOM 1284 SG CYS A 79 18.827 55.675 -18.870 1.00 0.00 S ATOM 0 H CYS A 79 20.110 52.389 -20.689 1.00 0.00 H new ATOM 0 HA CYS A 79 18.552 54.745 -21.538 1.00 0.00 H new ATOM 0 HB2 CYS A 79 20.975 54.941 -19.686 1.00 0.00 H new ATOM 0 HB3 CYS A 79 20.365 56.289 -20.624 1.00 0.00 H new ATOM 0 HG CYS A 79 17.839 54.842 -19.013 1.00 0.00 H new ATOM 1290 N GLY A 80 20.805 53.064 -22.755 1.00 0.00 N ATOM 1291 CA GLY A 80 21.755 52.881 -23.890 1.00 0.00 C ATOM 1292 C GLY A 80 23.192 52.982 -23.376 1.00 0.00 C ATOM 1293 O GLY A 80 24.035 53.454 -24.120 1.00 0.00 O ATOM 1294 OXT GLY A 80 23.425 52.585 -22.246 1.00 0.00 O ATOM 0 H GLY A 80 20.443 52.201 -22.350 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.593 51.911 -24.360 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.577 53.639 -24.653 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 0.844 15.406 5.713 1.00 6.48 N ATOM 1300 CA GLY B 1 1.964 16.435 5.547 1.00 5.73 C ATOM 1301 C GLY B 1 3.351 16.091 5.968 1.00 4.94 C ATOM 1302 O GLY B 1 3.559 15.370 6.924 1.00 5.12 O ATOM 0 H1 GLY B 1 -0.052 15.809 5.371 1.00 6.48 H new ATOM 0 H2 GLY B 1 1.072 14.553 5.163 1.00 6.48 H new ATOM 0 H3 GLY B 1 0.749 15.155 6.718 1.00 6.48 H new ATOM 0 HA2 GLY B 1 2.002 16.708 4.492 1.00 5.73 H new ATOM 0 HA3 GLY B 1 1.669 17.329 6.097 1.00 5.73 H new ATOM 1308 N SER B 2 4.333 16.592 5.271 1.00 4.43 N ATOM 1309 CA SER B 2 5.743 16.285 5.642 1.00 3.98 C ATOM 1310 C SER B 2 6.700 17.014 4.686 1.00 2.98 C ATOM 1311 O SER B 2 7.381 16.378 3.906 1.00 3.23 O ATOM 1312 CB SER B 2 5.974 14.778 5.533 1.00 4.81 C ATOM 1313 OG SER B 2 7.368 14.524 5.421 1.00 5.35 O ATOM 0 H SER B 2 4.220 17.201 4.460 1.00 4.43 H new ATOM 0 HA SER B 2 5.930 16.616 6.664 1.00 3.98 H new ATOM 0 HB2 SER B 2 5.570 14.272 6.410 1.00 4.81 H new ATOM 0 HB3 SER B 2 5.449 14.380 4.665 1.00 4.81 H new ATOM 0 HG SER B 2 7.687 14.831 4.547 1.00 5.35 H new ATOM 1319 N PRO B 3 6.728 18.329 4.762 1.00 2.36 N ATOM 1320 CA PRO B 3 7.605 19.132 3.889 1.00 2.03 C ATOM 1321 C PRO B 3 9.077 18.795 4.172 1.00 1.67 C ATOM 1322 O PRO B 3 9.398 17.739 4.680 1.00 2.17 O ATOM 1323 CB PRO B 3 7.281 20.605 4.242 1.00 2.59 C ATOM 1324 CG PRO B 3 6.211 20.591 5.374 1.00 2.98 C ATOM 1325 CD PRO B 3 5.901 19.113 5.705 1.00 2.84 C ATOM 0 HA PRO B 3 7.442 18.934 2.830 1.00 2.03 H new ATOM 0 HB2 PRO B 3 8.180 21.127 4.570 1.00 2.59 H new ATOM 0 HB3 PRO B 3 6.906 21.135 3.367 1.00 2.59 H new ATOM 0 HG2 PRO B 3 6.581 21.112 6.257 1.00 2.98 H new ATOM 0 HG3 PRO B 3 5.307 21.109 5.053 1.00 2.98 H new ATOM 0 HD2 PRO B 3 6.152 18.879 6.739 1.00 2.84 H new ATOM 0 HD3 PRO B 3 4.841 18.894 5.577 1.00 2.84 H new ATOM 1333 N LEU B 4 9.969 19.690 3.846 1.00 1.47 N ATOM 1334 CA LEU B 4 11.415 19.431 4.093 1.00 1.38 C ATOM 1335 C LEU B 4 11.680 19.456 5.598 1.00 1.11 C ATOM 1336 O LEU B 4 12.072 20.463 6.153 1.00 1.29 O ATOM 1337 CB LEU B 4 12.257 20.514 3.412 1.00 1.71 C ATOM 1338 CG LEU B 4 11.780 20.717 1.971 1.00 2.15 C ATOM 1339 CD1 LEU B 4 12.591 21.843 1.324 1.00 2.81 C ATOM 1340 CD2 LEU B 4 11.978 19.421 1.174 1.00 2.82 C ATOM 0 H LEU B 4 9.758 20.592 3.418 1.00 1.47 H new ATOM 0 HA LEU B 4 11.684 18.456 3.686 1.00 1.38 H new ATOM 0 HB2 LEU B 4 12.178 21.450 3.965 1.00 1.71 H new ATOM 0 HB3 LEU B 4 13.309 20.227 3.419 1.00 1.71 H new ATOM 0 HG LEU B 4 10.722 20.981 1.972 1.00 2.15 H new ATOM 0 HD11 LEU B 4 12.254 21.991 0.298 1.00 2.81 H new ATOM 0 HD12 LEU B 4 12.449 22.764 1.889 1.00 2.81 H new ATOM 0 HD13 LEU B 4 13.648 21.577 1.324 1.00 2.81 H new ATOM 0 HD21 LEU B 4 11.638 19.569 0.149 1.00 2.82 H new ATOM 0 HD22 LEU B 4 13.035 19.154 1.171 1.00 2.82 H new ATOM 0 HD23 LEU B 4 11.402 18.619 1.635 1.00 2.82 H new ATOM 1352 N GLY B 5 11.465 18.354 6.263 1.00 0.96 N ATOM 1353 CA GLY B 5 11.701 18.306 7.736 1.00 0.91 C ATOM 1354 C GLY B 5 13.043 18.963 8.068 1.00 0.71 C ATOM 1355 O GLY B 5 13.313 19.304 9.203 1.00 0.79 O ATOM 0 H GLY B 5 11.135 17.482 5.849 1.00 0.96 H new ATOM 0 HA2 GLY B 5 10.895 18.820 8.260 1.00 0.91 H new ATOM 0 HA3 GLY B 5 11.697 17.272 8.081 1.00 0.91 H new ATOM 1359 N GLN B 6 13.887 19.146 7.090 1.00 0.61 N ATOM 1360 CA GLN B 6 15.205 19.784 7.360 1.00 0.58 C ATOM 1361 C GLN B 6 14.978 21.173 7.958 1.00 0.45 C ATOM 1362 O GLN B 6 15.777 21.669 8.726 1.00 0.53 O ATOM 1363 CB GLN B 6 15.994 19.911 6.053 1.00 0.73 C ATOM 1364 CG GLN B 6 17.463 20.198 6.369 1.00 0.92 C ATOM 1365 CD GLN B 6 18.193 20.595 5.086 1.00 1.60 C ATOM 1366 OE1 GLN B 6 17.853 21.579 4.460 1.00 2.37 O ATOM 1367 NE2 GLN B 6 19.191 19.867 4.667 1.00 2.15 N ATOM 0 H GLN B 6 13.721 18.882 6.119 1.00 0.61 H new ATOM 0 HA GLN B 6 15.770 19.170 8.061 1.00 0.58 H new ATOM 0 HB2 GLN B 6 15.909 18.992 5.474 1.00 0.73 H new ATOM 0 HB3 GLN B 6 15.579 20.713 5.442 1.00 0.73 H new ATOM 0 HG2 GLN B 6 17.538 20.998 7.105 1.00 0.92 H new ATOM 0 HG3 GLN B 6 17.930 19.317 6.808 1.00 0.92 H new ATOM 0 HE21 GLN B 6 19.476 19.041 5.193 1.00 2.15 H new ATOM 0 HE22 GLN B 6 19.686 20.124 3.813 1.00 2.15 H new ATOM 1376 N ASP B 7 13.888 21.803 7.613 1.00 0.40 N ATOM 1377 CA ASP B 7 13.603 23.154 8.161 1.00 0.38 C ATOM 1378 C ASP B 7 13.648 23.101 9.690 1.00 0.33 C ATOM 1379 O ASP B 7 14.147 23.999 10.338 1.00 0.39 O ATOM 1380 CB ASP B 7 12.212 23.599 7.700 1.00 0.48 C ATOM 1381 CG ASP B 7 12.272 24.039 6.235 1.00 1.12 C ATOM 1382 OD1 ASP B 7 13.344 23.961 5.657 1.00 1.86 O ATOM 1383 OD2 ASP B 7 11.246 24.446 5.717 1.00 1.78 O ATOM 0 H ASP B 7 13.183 21.437 6.974 1.00 0.40 H new ATOM 0 HA ASP B 7 14.349 23.864 7.804 1.00 0.38 H new ATOM 0 HB2 ASP B 7 11.501 22.781 7.816 1.00 0.48 H new ATOM 0 HB3 ASP B 7 11.857 24.420 8.323 1.00 0.48 H new ATOM 1388 N VAL B 8 13.133 22.051 10.268 1.00 0.33 N ATOM 1389 CA VAL B 8 13.148 21.934 11.754 1.00 0.39 C ATOM 1390 C VAL B 8 14.596 21.935 12.251 1.00 0.36 C ATOM 1391 O VAL B 8 14.928 22.582 13.225 1.00 0.48 O ATOM 1392 CB VAL B 8 12.465 20.629 12.169 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.157 20.666 13.667 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.160 20.465 11.386 1.00 1.19 C ATOM 0 H VAL B 8 12.702 21.268 9.776 1.00 0.33 H new ATOM 0 HA VAL B 8 12.614 22.778 12.191 1.00 0.39 H new ATOM 0 HB VAL B 8 13.127 19.790 11.955 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.671 19.736 13.962 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.085 20.783 14.226 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.496 21.505 13.882 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.673 19.536 11.681 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.499 21.305 11.600 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.377 20.438 10.318 1.00 1.19 H new ATOM 1404 N PHE B 9 15.464 21.218 11.587 1.00 0.28 N ATOM 1405 CA PHE B 9 16.892 21.182 12.019 1.00 0.27 C ATOM 1406 C PHE B 9 17.388 22.614 12.225 1.00 0.25 C ATOM 1407 O PHE B 9 18.073 22.913 13.184 1.00 0.32 O ATOM 1408 CB PHE B 9 17.731 20.488 10.938 1.00 0.26 C ATOM 1409 CG PHE B 9 19.044 20.035 11.530 1.00 0.21 C ATOM 1410 CD1 PHE B 9 20.134 20.909 11.562 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.167 18.741 12.050 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.349 20.491 12.112 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.383 18.323 12.602 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.474 19.200 12.632 1.00 0.20 C ATOM 0 H PHE B 9 15.246 20.656 10.764 1.00 0.28 H new ATOM 0 HA PHE B 9 16.985 20.629 12.954 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.188 19.633 10.535 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.911 21.172 10.108 1.00 0.26 H new ATOM 0 HD1 PHE B 9 20.038 21.907 11.162 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.324 18.066 12.025 1.00 0.18 H new ATOM 0 HE1 PHE B 9 22.192 21.166 12.135 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.480 17.325 13.004 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.413 18.878 13.057 1.00 0.20 H new ATOM 1424 N LEU B 10 17.038 23.504 11.339 1.00 0.23 N ATOM 1425 CA LEU B 10 17.477 24.917 11.492 1.00 0.23 C ATOM 1426 C LEU B 10 16.723 25.541 12.669 1.00 0.24 C ATOM 1427 O LEU B 10 17.228 26.403 13.361 1.00 0.28 O ATOM 1428 CB LEU B 10 17.164 25.690 10.207 1.00 0.25 C ATOM 1429 CG LEU B 10 17.533 24.835 8.992 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.380 25.669 7.720 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.984 24.359 9.116 1.00 0.23 C ATOM 0 H LEU B 10 16.467 23.313 10.516 1.00 0.23 H new ATOM 0 HA LEU B 10 18.550 24.958 11.679 1.00 0.23 H new ATOM 0 HB2 LEU B 10 16.106 25.949 10.175 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.722 26.626 10.189 1.00 0.25 H new ATOM 0 HG LEU B 10 16.872 23.970 8.946 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.642 25.062 6.853 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.348 26.006 7.628 1.00 0.30 H new ATOM 0 HD13 LEU B 10 18.041 26.534 7.771 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.243 23.751 8.249 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.647 25.223 9.164 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.096 23.765 10.023 1.00 0.23 H new ATOM 1443 N ASP B 11 15.516 25.101 12.901 1.00 0.23 N ATOM 1444 CA ASP B 11 14.720 25.653 14.034 1.00 0.25 C ATOM 1445 C ASP B 11 15.457 25.384 15.350 1.00 0.22 C ATOM 1446 O ASP B 11 15.781 26.294 16.085 1.00 0.30 O ATOM 1447 CB ASP B 11 13.345 24.980 14.068 1.00 0.30 C ATOM 1448 CG ASP B 11 12.399 25.792 14.955 1.00 0.97 C ATOM 1449 OD1 ASP B 11 11.759 26.693 14.436 1.00 1.67 O ATOM 1450 OD2 ASP B 11 12.329 25.499 16.137 1.00 1.67 O ATOM 0 H ASP B 11 15.046 24.381 12.353 1.00 0.23 H new ATOM 0 HA ASP B 11 14.592 26.727 13.902 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.940 24.906 13.059 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.436 23.963 14.450 1.00 0.30 H new ATOM 1455 N TYR B 12 15.734 24.139 15.650 1.00 0.17 N ATOM 1456 CA TYR B 12 16.460 23.820 16.916 1.00 0.15 C ATOM 1457 C TYR B 12 17.671 24.746 17.038 1.00 0.16 C ATOM 1458 O TYR B 12 17.882 25.383 18.051 1.00 0.23 O ATOM 1459 CB TYR B 12 16.931 22.356 16.880 1.00 0.14 C ATOM 1460 CG TYR B 12 15.737 21.414 16.953 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.871 21.448 18.055 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.499 20.502 15.916 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.777 20.576 18.117 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.405 19.632 15.979 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.544 19.669 17.079 1.00 0.27 C ATOM 1466 OH TYR B 12 12.466 18.811 17.141 1.00 0.32 O ATOM 0 H TYR B 12 15.489 23.333 15.075 1.00 0.17 H new ATOM 0 HA TYR B 12 15.799 23.963 17.771 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.494 22.170 15.965 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.606 22.164 17.714 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.048 22.148 18.858 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.163 20.471 15.065 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.112 20.604 18.968 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.226 18.931 15.177 1.00 0.24 H new ATOM 0 HH TYR B 12 12.449 18.248 16.339 1.00 0.32 H new ATOM 1476 N CYS B 13 18.455 24.836 16.003 1.00 0.19 N ATOM 1477 CA CYS B 13 19.643 25.731 16.036 1.00 0.24 C ATOM 1478 C CYS B 13 19.204 27.116 16.516 1.00 0.26 C ATOM 1479 O CYS B 13 19.891 27.769 17.276 1.00 0.33 O ATOM 1480 CB CYS B 13 20.239 25.835 14.626 1.00 0.30 C ATOM 1481 SG CYS B 13 21.342 24.432 14.331 1.00 1.27 S ATOM 0 H CYS B 13 18.323 24.325 15.130 1.00 0.19 H new ATOM 0 HA CYS B 13 20.396 25.330 16.714 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.442 25.847 13.883 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.788 26.771 14.520 1.00 0.30 H new ATOM 0 HG CYS B 13 22.199 24.341 15.305 1.00 1.27 H new ATOM 1487 N GLN B 14 18.058 27.563 16.078 1.00 0.24 N ATOM 1488 CA GLN B 14 17.562 28.898 16.506 1.00 0.27 C ATOM 1489 C GLN B 14 17.679 29.008 18.028 1.00 0.24 C ATOM 1490 O GLN B 14 18.233 29.953 18.552 1.00 0.29 O ATOM 1491 CB GLN B 14 16.095 29.047 16.076 1.00 0.32 C ATOM 1492 CG GLN B 14 15.730 30.528 15.961 1.00 0.62 C ATOM 1493 CD GLN B 14 16.010 31.234 17.289 1.00 0.88 C ATOM 1494 OE1 GLN B 14 15.399 30.929 18.294 1.00 1.69 O ATOM 1495 NE2 GLN B 14 16.915 32.174 17.336 1.00 1.44 N ATOM 0 H GLN B 14 17.443 27.057 15.440 1.00 0.24 H new ATOM 0 HA GLN B 14 18.153 29.688 16.043 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.936 28.550 15.119 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.444 28.559 16.801 1.00 0.32 H new ATOM 0 HG2 GLN B 14 16.307 30.993 15.162 1.00 0.62 H new ATOM 0 HG3 GLN B 14 14.678 30.633 15.697 1.00 0.62 H new ATOM 0 HE21 GLN B 14 17.428 32.430 16.493 1.00 1.44 H new ATOM 0 HE22 GLN B 14 17.109 32.652 18.216 1.00 1.44 H new ATOM 1504 N LYS B 15 17.174 28.037 18.739 1.00 0.23 N ATOM 1505 CA LYS B 15 17.271 28.078 20.223 1.00 0.23 C ATOM 1506 C LYS B 15 18.745 28.156 20.612 1.00 0.20 C ATOM 1507 O LYS B 15 19.187 29.083 21.262 1.00 0.23 O ATOM 1508 CB LYS B 15 16.676 26.799 20.811 1.00 0.24 C ATOM 1509 CG LYS B 15 15.281 26.538 20.226 1.00 0.55 C ATOM 1510 CD LYS B 15 14.487 25.596 21.162 1.00 1.19 C ATOM 1511 CE LYS B 15 13.485 24.753 20.358 1.00 1.47 C ATOM 1512 NZ LYS B 15 12.325 24.403 21.226 1.00 2.21 N ATOM 0 H LYS B 15 16.700 27.219 18.356 1.00 0.23 H new ATOM 0 HA LYS B 15 16.728 28.943 20.604 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.331 25.954 20.597 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.612 26.886 21.896 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.746 27.480 20.104 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.370 26.091 19.236 1.00 0.55 H new ATOM 0 HD2 LYS B 15 15.175 24.941 21.696 1.00 1.19 H new ATOM 0 HD3 LYS B 15 13.957 26.182 21.913 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.145 25.308 19.484 1.00 1.47 H new ATOM 0 HE3 LYS B 15 13.967 23.846 19.992 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 11.645 23.832 20.684 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.658 23.858 22.047 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 11.861 25.274 21.554 1.00 2.21 H new ATOM 1526 N LEU B 16 19.510 27.182 20.199 1.00 0.18 N ATOM 1527 CA LEU B 16 20.968 27.169 20.512 1.00 0.17 C ATOM 1528 C LEU B 16 21.543 28.565 20.240 1.00 0.18 C ATOM 1529 O LEU B 16 22.495 28.997 20.859 1.00 0.23 O ATOM 1530 CB LEU B 16 21.647 26.122 19.592 1.00 0.15 C ATOM 1531 CG LEU B 16 22.557 25.182 20.399 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.711 24.274 21.329 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.372 24.335 19.410 1.00 0.18 C ATOM 0 H LEU B 16 19.183 26.386 19.652 1.00 0.18 H new ATOM 0 HA LEU B 16 21.144 26.910 21.556 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.885 25.539 19.075 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.233 26.631 18.827 1.00 0.15 H new ATOM 0 HG LEU B 16 23.229 25.764 21.029 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.371 23.615 21.893 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.140 24.893 22.020 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.027 23.675 20.728 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.026 23.660 19.962 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.695 23.754 18.784 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.975 24.990 18.781 1.00 0.18 H new ATOM 1545 N LEU B 17 20.966 29.253 19.298 1.00 0.17 N ATOM 1546 CA LEU B 17 21.453 30.609 18.936 1.00 0.19 C ATOM 1547 C LEU B 17 20.855 31.666 19.873 1.00 0.22 C ATOM 1548 O LEU B 17 21.547 32.537 20.362 1.00 0.30 O ATOM 1549 CB LEU B 17 21.025 30.900 17.489 1.00 0.19 C ATOM 1550 CG LEU B 17 21.929 31.983 16.864 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.181 31.335 16.261 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.168 32.716 15.752 1.00 0.33 C ATOM 0 H LEU B 17 20.166 28.928 18.756 1.00 0.17 H new ATOM 0 HA LEU B 17 22.538 30.646 19.031 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.080 29.986 16.897 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.986 31.230 17.470 1.00 0.19 H new ATOM 0 HG LEU B 17 22.219 32.689 17.642 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.814 32.106 15.822 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.733 30.814 17.043 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.887 30.624 15.489 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.811 33.480 15.314 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.874 32.003 14.981 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.278 33.187 16.169 1.00 0.33 H new ATOM 1564 N GLU B 18 19.573 31.612 20.107 1.00 0.20 N ATOM 1565 CA GLU B 18 18.934 32.630 20.989 1.00 0.24 C ATOM 1566 C GLU B 18 19.430 32.471 22.434 1.00 0.22 C ATOM 1567 O GLU B 18 19.574 33.437 23.157 1.00 0.26 O ATOM 1568 CB GLU B 18 17.400 32.479 20.913 1.00 0.30 C ATOM 1569 CG GLU B 18 16.892 31.462 21.949 1.00 1.05 C ATOM 1570 CD GLU B 18 15.481 31.002 21.576 1.00 1.67 C ATOM 1571 OE1 GLU B 18 14.865 31.653 20.748 1.00 2.29 O ATOM 1572 OE2 GLU B 18 15.041 30.005 22.125 1.00 2.17 O ATOM 0 H GLU B 18 18.940 30.908 19.726 1.00 0.20 H new ATOM 0 HA GLU B 18 19.208 33.629 20.650 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.927 33.446 21.086 1.00 0.30 H new ATOM 0 HB3 GLU B 18 17.112 32.158 19.912 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.564 30.605 21.991 1.00 1.05 H new ATOM 0 HG3 GLU B 18 16.887 31.912 22.942 1.00 1.05 H new ATOM 1579 N LYS B 19 19.681 31.266 22.863 1.00 0.19 N ATOM 1580 CA LYS B 19 20.151 31.058 24.251 1.00 0.20 C ATOM 1581 C LYS B 19 21.532 31.692 24.418 1.00 0.19 C ATOM 1582 O LYS B 19 21.760 32.475 25.319 1.00 0.26 O ATOM 1583 CB LYS B 19 20.214 29.550 24.521 1.00 0.21 C ATOM 1584 CG LYS B 19 18.832 29.038 24.941 1.00 0.29 C ATOM 1585 CD LYS B 19 18.863 27.513 25.060 1.00 0.33 C ATOM 1586 CE LYS B 19 17.433 26.979 25.153 1.00 0.95 C ATOM 1587 NZ LYS B 19 17.462 25.548 25.569 1.00 1.68 N ATOM 0 H LYS B 19 19.579 30.417 22.307 1.00 0.19 H new ATOM 0 HA LYS B 19 19.468 31.524 24.961 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.550 29.025 23.627 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.942 29.342 25.305 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.543 29.481 25.894 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.083 29.340 24.209 1.00 0.29 H new ATOM 0 HD2 LYS B 19 19.368 27.081 24.197 1.00 0.33 H new ATOM 0 HD3 LYS B 19 19.431 27.218 25.942 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.860 27.566 25.871 1.00 0.95 H new ATOM 0 HE3 LYS B 19 16.933 27.078 24.190 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 16.489 25.185 25.632 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 17.994 24.993 24.868 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.923 25.466 26.498 1.00 1.68 H new ATOM 1601 N PHE B 20 22.451 31.374 23.553 1.00 0.15 N ATOM 1602 CA PHE B 20 23.804 31.971 23.658 1.00 0.15 C ATOM 1603 C PHE B 20 23.775 33.354 23.007 1.00 0.16 C ATOM 1604 O PHE B 20 24.786 34.013 22.868 1.00 0.25 O ATOM 1605 CB PHE B 20 24.797 31.072 22.933 1.00 0.14 C ATOM 1606 CG PHE B 20 25.004 29.806 23.733 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.019 28.812 23.717 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.172 29.623 24.491 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.197 27.637 24.454 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.348 28.445 25.228 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.360 27.453 25.208 1.00 0.14 C ATOM 0 H PHE B 20 22.321 30.725 22.777 1.00 0.15 H new ATOM 0 HA PHE B 20 24.104 32.066 24.702 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.425 30.830 21.937 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.746 31.592 22.801 1.00 0.14 H new ATOM 0 HD1 PHE B 20 23.120 28.953 23.135 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.933 30.389 24.506 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.436 26.871 24.441 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.245 28.302 25.812 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.496 26.544 25.776 1.00 0.14 H new ATOM 1621 N ARG B 21 22.609 33.795 22.618 1.00 0.15 N ATOM 1622 CA ARG B 21 22.478 35.139 21.982 1.00 0.17 C ATOM 1623 C ARG B 21 23.517 35.313 20.864 1.00 0.14 C ATOM 1624 O ARG B 21 24.101 36.368 20.719 1.00 0.18 O ATOM 1625 CB ARG B 21 22.690 36.224 23.045 1.00 0.23 C ATOM 1626 CG ARG B 21 21.437 36.340 23.926 1.00 0.58 C ATOM 1627 CD ARG B 21 21.657 37.400 25.024 1.00 1.16 C ATOM 1628 NE ARG B 21 20.987 36.963 26.291 1.00 1.87 N ATOM 1629 CZ ARG B 21 19.747 36.547 26.297 1.00 2.62 C ATOM 1630 NH1 ARG B 21 19.008 36.645 25.227 1.00 2.94 N ATOM 1631 NH2 ARG B 21 19.230 36.074 27.399 1.00 3.56 N ATOM 0 H ARG B 21 21.735 33.278 22.714 1.00 0.15 H new ATOM 0 HA ARG B 21 21.481 35.227 21.550 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.557 35.980 23.659 1.00 0.23 H new ATOM 0 HB3 ARG B 21 22.899 37.180 22.565 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.577 36.612 23.314 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.212 35.375 24.381 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.724 37.543 25.196 1.00 1.16 H new ATOM 0 HD3 ARG B 21 21.255 38.360 24.701 1.00 1.16 H new ATOM 0 HE ARG B 21 21.509 36.991 27.167 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.396 37.049 24.375 1.00 2.94 H new ATOM 0 HH12 ARG B 21 18.042 36.317 25.243 1.00 2.94 H new ATOM 0 HH21 ARG B 21 19.793 36.031 28.249 1.00 3.56 H new ATOM 0 HH22 ARG B 21 18.264 35.748 27.410 1.00 3.56 H new ATOM 1645 N TYR B 22 23.753 34.302 20.063 1.00 0.14 N ATOM 1646 CA TYR B 22 24.752 34.456 18.961 1.00 0.13 C ATOM 1647 C TYR B 22 24.060 35.128 17.749 1.00 0.15 C ATOM 1648 O TYR B 22 22.871 34.956 17.568 1.00 0.16 O ATOM 1649 CB TYR B 22 25.265 33.069 18.524 1.00 0.12 C ATOM 1650 CG TYR B 22 26.371 32.560 19.441 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.528 33.327 19.679 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.243 31.299 20.045 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.537 32.833 20.516 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.255 30.810 20.880 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.400 31.577 21.116 1.00 0.18 C ATOM 1656 OH TYR B 22 29.396 31.094 21.940 1.00 0.21 O ATOM 0 H TYR B 22 23.303 33.388 20.123 1.00 0.14 H new ATOM 0 HA TYR B 22 25.587 35.063 19.312 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.438 32.359 18.523 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.638 33.125 17.501 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.637 34.297 19.216 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.360 30.704 19.865 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.423 33.423 20.698 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.151 29.839 21.342 1.00 0.17 H new ATOM 0 HH TYR B 22 29.851 30.346 21.499 1.00 0.21 H new ATOM 1666 N PRO B 23 24.810 35.851 16.930 1.00 0.16 N ATOM 1667 CA PRO B 23 24.235 36.498 15.730 1.00 0.18 C ATOM 1668 C PRO B 23 23.754 35.422 14.741 1.00 0.19 C ATOM 1669 O PRO B 23 23.946 34.243 14.950 1.00 0.19 O ATOM 1670 CB PRO B 23 25.394 37.323 15.126 1.00 0.19 C ATOM 1671 CG PRO B 23 26.686 36.921 15.888 1.00 0.17 C ATOM 1672 CD PRO B 23 26.256 36.095 17.121 1.00 0.15 C ATOM 0 HA PRO B 23 23.375 37.126 15.962 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.497 37.120 14.060 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.202 38.391 15.230 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.345 36.337 15.245 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.243 37.807 16.194 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.810 35.158 17.182 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.446 36.638 18.047 1.00 0.15 H new ATOM 1680 N TRP B 24 23.139 35.829 13.666 1.00 0.22 N ATOM 1681 CA TRP B 24 22.642 34.844 12.656 1.00 0.24 C ATOM 1682 C TRP B 24 23.814 34.324 11.814 1.00 0.25 C ATOM 1683 O TRP B 24 23.696 33.344 11.105 1.00 0.34 O ATOM 1684 CB TRP B 24 21.618 35.534 11.747 1.00 0.28 C ATOM 1685 CG TRP B 24 21.240 34.627 10.618 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.815 34.631 9.394 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.215 33.592 10.585 1.00 0.35 C ATOM 1688 NE1 TRP B 24 21.210 33.664 8.612 1.00 1.68 N ATOM 1689 CE2 TRP B 24 20.218 32.996 9.302 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.294 33.116 11.535 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 19.338 31.965 8.972 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.406 32.078 11.206 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.428 31.504 9.927 1.00 0.63 C ATOM 0 H TRP B 24 22.957 36.807 13.439 1.00 0.22 H new ATOM 0 HA TRP B 24 22.173 34.002 13.166 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.731 35.801 12.322 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.035 36.462 11.355 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.616 35.283 9.079 1.00 1.45 H new ATOM 0 HE1 TRP B 24 21.465 33.468 7.644 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.269 33.551 12.523 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 19.360 31.526 7.985 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.702 31.720 11.943 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.743 30.707 9.680 1.00 0.63 H new ATOM 1704 N GLU B 25 24.935 34.981 11.877 1.00 0.21 N ATOM 1705 CA GLU B 25 26.113 34.546 11.078 1.00 0.24 C ATOM 1706 C GLU B 25 26.651 33.205 11.592 1.00 0.21 C ATOM 1707 O GLU B 25 27.225 32.434 10.848 1.00 0.24 O ATOM 1708 CB GLU B 25 27.204 35.609 11.222 1.00 0.31 C ATOM 1709 CG GLU B 25 28.349 35.337 10.238 1.00 1.20 C ATOM 1710 CD GLU B 25 27.998 35.906 8.860 1.00 1.43 C ATOM 1711 OE1 GLU B 25 27.962 37.119 8.734 1.00 1.86 O ATOM 1712 OE2 GLU B 25 27.771 35.119 7.956 1.00 1.99 O ATOM 0 H GLU B 25 25.088 35.809 12.453 1.00 0.21 H new ATOM 0 HA GLU B 25 25.819 34.424 10.035 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.784 36.598 11.037 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.586 35.611 12.243 1.00 0.31 H new ATOM 0 HG2 GLU B 25 29.270 35.790 10.604 1.00 1.20 H new ATOM 0 HG3 GLU B 25 28.529 34.265 10.163 1.00 1.20 H new ATOM 1719 N LEU B 26 26.507 32.934 12.860 1.00 0.16 N ATOM 1720 CA LEU B 26 27.052 31.659 13.422 1.00 0.15 C ATOM 1721 C LEU B 26 26.029 30.528 13.331 1.00 0.15 C ATOM 1722 O LEU B 26 26.043 29.607 14.125 1.00 0.19 O ATOM 1723 CB LEU B 26 27.438 31.890 14.880 1.00 0.13 C ATOM 1724 CG LEU B 26 28.085 33.267 15.016 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.654 33.410 16.422 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.214 33.425 13.986 1.00 0.14 C ATOM 0 H LEU B 26 26.036 33.538 13.534 1.00 0.16 H new ATOM 0 HA LEU B 26 27.925 31.365 12.840 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.556 31.825 15.517 1.00 0.13 H new ATOM 0 HB3 LEU B 26 28.129 31.116 15.213 1.00 0.13 H new ATOM 0 HG LEU B 26 27.336 34.038 14.837 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.118 34.390 16.529 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.851 33.307 17.152 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.401 32.635 16.593 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.668 34.410 14.092 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.969 32.657 14.154 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.807 33.320 12.981 1.00 0.14 H new ATOM 1738 N MET B 27 25.154 30.566 12.369 1.00 0.15 N ATOM 1739 CA MET B 27 24.165 29.471 12.244 1.00 0.17 C ATOM 1740 C MET B 27 24.866 28.159 11.795 1.00 0.14 C ATOM 1741 O MET B 27 24.508 27.105 12.281 1.00 0.19 O ATOM 1742 CB MET B 27 23.055 29.881 11.249 1.00 0.20 C ATOM 1743 CG MET B 27 21.896 30.551 11.997 1.00 0.39 C ATOM 1744 SD MET B 27 21.045 29.326 13.023 1.00 1.31 S ATOM 1745 CE MET B 27 19.938 28.690 11.744 1.00 0.45 C ATOM 0 H MET B 27 25.083 31.304 11.669 1.00 0.15 H new ATOM 0 HA MET B 27 23.706 29.287 13.215 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.460 30.565 10.503 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.693 29.003 10.714 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.273 31.363 12.619 1.00 0.39 H new ATOM 0 HG3 MET B 27 21.198 30.992 11.286 1.00 0.39 H new ATOM 0 HE1 MET B 27 19.826 27.612 11.862 1.00 0.45 H new ATOM 0 HE2 MET B 27 18.963 29.168 11.836 1.00 0.45 H new ATOM 0 HE3 MET B 27 20.356 28.906 10.761 1.00 0.45 H new ATOM 1755 N PRO B 28 25.841 28.229 10.891 1.00 0.09 N ATOM 1756 CA PRO B 28 26.546 27.010 10.428 1.00 0.09 C ATOM 1757 C PRO B 28 27.203 26.275 11.609 1.00 0.09 C ATOM 1758 O PRO B 28 27.329 25.070 11.600 1.00 0.14 O ATOM 1759 CB PRO B 28 27.599 27.522 9.417 1.00 0.10 C ATOM 1760 CG PRO B 28 27.246 29.001 9.118 1.00 0.12 C ATOM 1761 CD PRO B 28 26.320 29.478 10.251 1.00 0.12 C ATOM 0 HA PRO B 28 25.870 26.287 9.972 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.604 27.440 9.830 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.580 26.927 8.504 1.00 0.10 H new ATOM 0 HG2 PRO B 28 28.148 29.612 9.073 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.751 29.092 8.151 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.855 30.108 10.962 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.490 30.069 9.863 1.00 0.12 H new ATOM 1769 N LEU B 29 27.619 26.979 12.625 1.00 0.10 N ATOM 1770 CA LEU B 29 28.250 26.282 13.783 1.00 0.09 C ATOM 1771 C LEU B 29 27.151 25.620 14.610 1.00 0.10 C ATOM 1772 O LEU B 29 27.286 24.496 15.053 1.00 0.16 O ATOM 1773 CB LEU B 29 29.023 27.286 14.639 1.00 0.08 C ATOM 1774 CG LEU B 29 29.873 28.177 13.730 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.699 29.139 14.587 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.812 27.304 12.886 1.00 0.09 C ATOM 0 H LEU B 29 27.551 27.994 12.705 1.00 0.10 H new ATOM 0 HA LEU B 29 28.949 25.525 13.426 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.331 27.895 15.220 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.660 26.760 15.351 1.00 0.08 H new ATOM 0 HG LEU B 29 29.221 28.748 13.069 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.305 29.774 13.940 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.031 29.761 15.183 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.351 28.569 15.249 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.417 27.940 12.239 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.465 26.730 13.544 1.00 0.09 H new ATOM 0 HD23 LEU B 29 30.222 26.621 12.275 1.00 0.09 H new ATOM 1788 N MET B 30 26.051 26.294 14.799 1.00 0.10 N ATOM 1789 CA MET B 30 24.937 25.687 15.569 1.00 0.12 C ATOM 1790 C MET B 30 24.400 24.504 14.764 1.00 0.10 C ATOM 1791 O MET B 30 23.754 23.617 15.286 1.00 0.13 O ATOM 1792 CB MET B 30 23.831 26.726 15.765 1.00 0.16 C ATOM 1793 CG MET B 30 24.210 27.667 16.907 1.00 0.19 C ATOM 1794 SD MET B 30 25.814 28.432 16.551 1.00 1.23 S ATOM 1795 CE MET B 30 26.504 28.331 18.222 1.00 0.22 C ATOM 0 H MET B 30 25.878 27.238 14.453 1.00 0.10 H new ATOM 0 HA MET B 30 25.282 25.352 16.547 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.684 27.293 14.846 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.887 26.229 15.987 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.447 28.436 17.028 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.258 27.116 17.846 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.355 29.007 18.306 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.742 28.615 18.948 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.831 27.310 18.420 1.00 0.22 H new ATOM 1805 N TYR B 31 24.679 24.491 13.489 1.00 0.08 N ATOM 1806 CA TYR B 31 24.208 23.375 12.624 1.00 0.08 C ATOM 1807 C TYR B 31 25.096 22.153 12.862 1.00 0.08 C ATOM 1808 O TYR B 31 24.620 21.046 13.015 1.00 0.09 O ATOM 1809 CB TYR B 31 24.302 23.803 11.154 1.00 0.09 C ATOM 1810 CG TYR B 31 24.044 22.623 10.249 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.738 22.313 9.855 1.00 0.10 C ATOM 1812 CD2 TYR B 31 25.115 21.844 9.797 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.503 21.222 9.010 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.881 20.754 8.952 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.575 20.442 8.559 1.00 0.11 C ATOM 1816 OH TYR B 31 23.344 19.367 7.724 1.00 0.13 O ATOM 0 H TYR B 31 25.217 25.211 13.007 1.00 0.08 H new ATOM 0 HA TYR B 31 23.174 23.127 12.863 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.578 24.592 10.950 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.290 24.217 10.951 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.911 22.915 10.203 1.00 0.10 H new ATOM 0 HD2 TYR B 31 26.123 22.085 10.101 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.495 20.982 8.706 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.708 20.154 8.603 1.00 0.11 H new ATOM 0 HH TYR B 31 24.196 18.934 7.504 1.00 0.13 H new ATOM 1826 N VAL B 32 26.384 22.350 12.892 1.00 0.08 N ATOM 1827 CA VAL B 32 27.307 21.205 13.117 1.00 0.08 C ATOM 1828 C VAL B 32 27.138 20.683 14.548 1.00 0.08 C ATOM 1829 O VAL B 32 26.997 19.499 14.772 1.00 0.10 O ATOM 1830 CB VAL B 32 28.751 21.667 12.895 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.712 20.521 13.216 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.931 22.092 11.431 1.00 0.08 C ATOM 0 H VAL B 32 26.837 23.256 12.770 1.00 0.08 H new ATOM 0 HA VAL B 32 27.074 20.403 12.417 1.00 0.08 H new ATOM 0 HB VAL B 32 28.966 22.512 13.549 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.738 20.852 13.057 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.584 20.220 14.256 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.499 19.674 12.564 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.958 22.421 11.271 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.715 21.247 10.778 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.248 22.910 11.203 1.00 0.08 H new ATOM 1842 N ILE B 33 27.147 21.554 15.518 1.00 0.08 N ATOM 1843 CA ILE B 33 26.982 21.099 16.927 1.00 0.08 C ATOM 1844 C ILE B 33 25.728 20.210 17.035 1.00 0.09 C ATOM 1845 O ILE B 33 25.803 19.081 17.481 1.00 0.10 O ATOM 1846 CB ILE B 33 26.887 22.340 17.825 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.278 22.987 17.898 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.428 21.954 19.235 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.199 24.365 18.560 1.00 0.08 C ATOM 0 H ILE B 33 27.261 22.560 15.397 1.00 0.08 H new ATOM 0 HA ILE B 33 27.834 20.501 17.251 1.00 0.08 H new ATOM 0 HB ILE B 33 26.159 23.036 17.408 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.954 22.345 18.463 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.693 23.083 16.895 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.367 22.848 19.855 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.447 21.482 19.182 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.143 21.257 19.672 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.195 24.806 18.602 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.540 25.011 17.979 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.805 24.261 19.571 1.00 0.08 H new ATOM 1861 N LEU B 34 24.585 20.686 16.608 1.00 0.08 N ATOM 1862 CA LEU B 34 23.349 19.843 16.663 1.00 0.09 C ATOM 1863 C LEU B 34 23.565 18.593 15.784 1.00 0.12 C ATOM 1864 O LEU B 34 22.920 17.582 15.964 1.00 0.16 O ATOM 1865 CB LEU B 34 22.157 20.686 16.116 1.00 0.10 C ATOM 1866 CG LEU B 34 21.151 21.204 17.211 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.752 21.273 18.628 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.669 22.607 16.816 1.00 0.11 C ATOM 0 H LEU B 34 24.453 21.622 16.224 1.00 0.08 H new ATOM 0 HA LEU B 34 23.134 19.529 17.685 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.556 21.544 15.576 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.606 20.083 15.394 1.00 0.10 H new ATOM 0 HG LEU B 34 20.334 20.484 17.249 1.00 0.10 H new ATOM 0 HD11 LEU B 34 20.998 21.639 19.325 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.078 20.279 18.934 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.606 21.951 18.628 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.971 22.977 17.567 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.524 23.281 16.752 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.170 22.561 15.848 1.00 0.11 H new ATOM 1880 N LYS B 35 24.461 18.651 14.838 1.00 0.13 N ATOM 1881 CA LYS B 35 24.692 17.459 13.968 1.00 0.17 C ATOM 1882 C LYS B 35 25.392 16.358 14.768 1.00 0.19 C ATOM 1883 O LYS B 35 25.126 15.186 14.590 1.00 0.28 O ATOM 1884 CB LYS B 35 25.562 17.859 12.770 1.00 0.16 C ATOM 1885 CG LYS B 35 25.442 16.802 11.670 1.00 0.19 C ATOM 1886 CD LYS B 35 26.268 17.234 10.459 1.00 0.26 C ATOM 1887 CE LYS B 35 26.404 16.061 9.488 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.900 16.560 8.175 1.00 1.58 N ATOM 0 H LYS B 35 25.040 19.464 14.629 1.00 0.13 H new ATOM 0 HA LYS B 35 23.733 17.085 13.611 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.249 18.831 12.389 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.602 17.958 13.081 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.792 15.837 12.037 1.00 0.19 H new ATOM 0 HG3 LYS B 35 24.398 16.675 11.385 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.789 18.078 9.962 1.00 0.26 H new ATOM 0 HD3 LYS B 35 27.254 17.570 10.780 1.00 0.26 H new ATOM 0 HE2 LYS B 35 27.093 15.319 9.891 1.00 0.70 H new ATOM 0 HE3 LYS B 35 25.441 15.566 9.361 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.993 15.763 7.513 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.227 17.253 7.790 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 27.827 17.013 8.304 1.00 1.58 H new ATOM 1902 N ASP B 36 26.288 16.721 15.645 1.00 0.23 N ATOM 1903 CA ASP B 36 27.005 15.690 16.451 1.00 0.28 C ATOM 1904 C ASP B 36 26.186 15.344 17.695 1.00 0.26 C ATOM 1905 O ASP B 36 26.159 14.214 18.140 1.00 0.39 O ATOM 1906 CB ASP B 36 28.365 16.242 16.876 1.00 0.34 C ATOM 1907 CG ASP B 36 29.263 16.389 15.645 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.324 15.452 14.866 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.874 17.435 15.503 1.00 1.96 O ATOM 0 H ASP B 36 26.555 17.686 15.839 1.00 0.23 H new ATOM 0 HA ASP B 36 27.142 14.791 15.850 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.241 17.208 17.366 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.830 15.574 17.601 1.00 0.34 H new ATOM 1914 N ALA B 37 25.522 16.311 18.262 1.00 0.21 N ATOM 1915 CA ALA B 37 24.709 16.045 19.481 1.00 0.21 C ATOM 1916 C ALA B 37 23.389 15.391 19.093 1.00 0.20 C ATOM 1917 O ALA B 37 22.391 15.547 19.770 1.00 0.24 O ATOM 1918 CB ALA B 37 24.405 17.367 20.172 1.00 0.22 C ATOM 0 H ALA B 37 25.507 17.276 17.933 1.00 0.21 H new ATOM 0 HA ALA B 37 25.266 15.383 20.144 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.810 17.182 21.066 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.339 17.854 20.452 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.848 18.013 19.493 1.00 0.22 H new ATOM 1924 N ASP B 38 23.354 14.676 18.009 1.00 0.20 N ATOM 1925 CA ASP B 38 22.073 14.045 17.602 1.00 0.21 C ATOM 1926 C ASP B 38 21.010 15.144 17.520 1.00 0.18 C ATOM 1927 O ASP B 38 19.823 14.892 17.556 1.00 0.21 O ATOM 1928 CB ASP B 38 21.672 12.994 18.650 1.00 0.28 C ATOM 1929 CG ASP B 38 20.774 11.931 18.008 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.683 12.281 17.588 1.00 1.59 O ATOM 1931 OD2 ASP B 38 21.193 10.787 17.947 1.00 1.86 O ATOM 0 H ASP B 38 24.147 14.502 17.392 1.00 0.20 H new ATOM 0 HA ASP B 38 22.172 13.553 16.635 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.563 12.525 19.067 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.148 13.474 19.477 1.00 0.28 H new ATOM 1936 N ALA B 39 21.454 16.366 17.423 1.00 0.14 N ATOM 1937 CA ALA B 39 20.524 17.520 17.349 1.00 0.14 C ATOM 1938 C ALA B 39 19.772 17.662 18.672 1.00 0.15 C ATOM 1939 O ALA B 39 18.809 18.397 18.773 1.00 0.18 O ATOM 1940 CB ALA B 39 19.536 17.325 16.198 1.00 0.16 C ATOM 0 H ALA B 39 22.443 16.615 17.392 1.00 0.14 H new ATOM 0 HA ALA B 39 21.097 18.429 17.167 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.858 18.177 16.152 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.083 17.246 15.259 1.00 0.16 H new ATOM 0 HB3 ALA B 39 18.962 16.413 16.362 1.00 0.16 H new ATOM 1946 N ASN B 40 20.209 16.976 19.694 1.00 0.15 N ATOM 1947 CA ASN B 40 19.522 17.089 21.010 1.00 0.18 C ATOM 1948 C ASN B 40 20.030 18.343 21.720 1.00 0.15 C ATOM 1949 O ASN B 40 21.075 18.342 22.339 1.00 0.15 O ATOM 1950 CB ASN B 40 19.825 15.851 21.860 1.00 0.23 C ATOM 1951 CG ASN B 40 18.793 15.731 22.985 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.470 14.642 23.416 1.00 1.90 O ATOM 1953 ND2 ASN B 40 18.257 16.814 23.480 1.00 1.32 N ATOM 0 H ASN B 40 21.010 16.344 19.673 1.00 0.15 H new ATOM 0 HA ASN B 40 18.444 17.158 20.863 1.00 0.18 H new ATOM 0 HB2 ASN B 40 19.804 14.957 21.237 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.828 15.923 22.280 1.00 0.23 H new ATOM 0 HD21 ASN B 40 17.567 16.746 24.228 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.528 17.728 23.118 1.00 1.32 H new ATOM 1960 N ILE B 41 19.300 19.416 21.622 1.00 0.15 N ATOM 1961 CA ILE B 41 19.733 20.679 22.274 1.00 0.15 C ATOM 1962 C ILE B 41 20.138 20.405 23.727 1.00 0.15 C ATOM 1963 O ILE B 41 21.173 20.849 24.182 1.00 0.14 O ATOM 1964 CB ILE B 41 18.582 21.684 22.209 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.415 22.133 20.750 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.890 22.893 23.101 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.165 23.004 20.611 1.00 0.24 C ATOM 0 H ILE B 41 18.417 19.472 21.115 1.00 0.15 H new ATOM 0 HA ILE B 41 20.599 21.092 21.756 1.00 0.15 H new ATOM 0 HB ILE B 41 17.661 21.222 22.564 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.295 22.691 20.430 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.336 21.262 20.100 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.065 23.603 23.049 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.018 22.562 24.131 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.806 23.374 22.758 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.054 23.318 19.573 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.288 22.432 20.913 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.262 23.883 21.248 1.00 0.24 H new ATOM 1979 N GLU B 42 19.342 19.676 24.457 1.00 0.17 N ATOM 1980 CA GLU B 42 19.700 19.380 25.870 1.00 0.17 C ATOM 1981 C GLU B 42 21.115 18.805 25.920 1.00 0.16 C ATOM 1982 O GLU B 42 21.840 19.009 26.867 1.00 0.18 O ATOM 1983 CB GLU B 42 18.713 18.369 26.457 1.00 0.20 C ATOM 1984 CG GLU B 42 17.375 19.060 26.730 1.00 0.30 C ATOM 1985 CD GLU B 42 16.327 18.013 27.112 1.00 1.03 C ATOM 1986 OE1 GLU B 42 15.671 17.506 26.217 1.00 1.65 O ATOM 1987 OE2 GLU B 42 16.198 17.737 28.293 1.00 1.78 O ATOM 0 H GLU B 42 18.461 19.273 24.137 1.00 0.17 H new ATOM 0 HA GLU B 42 19.656 20.299 26.455 1.00 0.17 H new ATOM 0 HB2 GLU B 42 18.571 17.539 25.764 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.112 17.949 27.380 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.487 19.788 27.534 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.050 19.609 25.846 1.00 0.30 H new ATOM 1994 N GLU B 43 21.519 18.088 24.907 1.00 0.16 N ATOM 1995 CA GLU B 43 22.900 17.517 24.901 1.00 0.16 C ATOM 1996 C GLU B 43 23.856 18.536 24.274 1.00 0.14 C ATOM 1997 O GLU B 43 24.946 18.765 24.759 1.00 0.20 O ATOM 1998 CB GLU B 43 22.924 16.221 24.082 1.00 0.18 C ATOM 1999 CG GLU B 43 24.173 15.409 24.439 1.00 0.30 C ATOM 2000 CD GLU B 43 23.973 14.728 25.795 1.00 1.21 C ATOM 2001 OE1 GLU B 43 22.998 14.008 25.936 1.00 1.96 O ATOM 2002 OE2 GLU B 43 24.798 14.938 26.670 1.00 1.89 O ATOM 0 H GLU B 43 20.956 17.872 24.084 1.00 0.16 H new ATOM 0 HA GLU B 43 23.209 17.297 25.923 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.027 15.635 24.284 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.921 16.452 23.017 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.365 14.661 23.670 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.046 16.061 24.474 1.00 0.30 H new ATOM 2009 N ALA B 44 23.453 19.141 23.188 1.00 0.12 N ATOM 2010 CA ALA B 44 24.331 20.140 22.512 1.00 0.12 C ATOM 2011 C ALA B 44 24.565 21.344 23.439 1.00 0.12 C ATOM 2012 O ALA B 44 25.666 21.824 23.583 1.00 0.14 O ATOM 2013 CB ALA B 44 23.657 20.594 21.200 1.00 0.13 C ATOM 0 H ALA B 44 22.551 18.986 22.739 1.00 0.12 H new ATOM 0 HA ALA B 44 25.297 19.689 22.284 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.292 21.325 20.699 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.511 19.732 20.549 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.691 21.046 21.425 1.00 0.13 H new ATOM 2019 N SER B 45 23.542 21.843 24.060 1.00 0.12 N ATOM 2020 CA SER B 45 23.732 23.017 24.958 1.00 0.16 C ATOM 2021 C SER B 45 24.719 22.662 26.075 1.00 0.15 C ATOM 2022 O SER B 45 25.313 23.525 26.688 1.00 0.16 O ATOM 2023 CB SER B 45 22.389 23.417 25.568 1.00 0.19 C ATOM 2024 OG SER B 45 22.617 24.115 26.785 1.00 0.82 O ATOM 0 H SER B 45 22.586 21.495 23.989 1.00 0.12 H new ATOM 0 HA SER B 45 24.130 23.851 24.380 1.00 0.16 H new ATOM 0 HB2 SER B 45 21.833 24.046 24.873 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.781 22.531 25.752 1.00 0.19 H new ATOM 0 HG SER B 45 21.895 24.761 26.932 1.00 0.82 H new ATOM 2030 N ARG B 46 24.880 21.399 26.360 1.00 0.17 N ATOM 2031 CA ARG B 46 25.805 20.985 27.456 1.00 0.20 C ATOM 2032 C ARG B 46 27.268 21.022 26.971 1.00 0.17 C ATOM 2033 O ARG B 46 28.172 21.271 27.744 1.00 0.23 O ATOM 2034 CB ARG B 46 25.432 19.556 27.913 1.00 0.24 C ATOM 2035 CG ARG B 46 24.461 19.597 29.109 1.00 0.84 C ATOM 2036 CD ARG B 46 23.229 20.475 28.797 1.00 1.21 C ATOM 2037 NE ARG B 46 23.388 21.784 29.485 1.00 1.63 N ATOM 2038 CZ ARG B 46 22.573 22.767 29.216 1.00 2.08 C ATOM 2039 NH1 ARG B 46 21.604 22.594 28.358 1.00 2.50 N ATOM 2040 NH2 ARG B 46 22.723 23.920 29.807 1.00 2.80 N ATOM 0 H ARG B 46 24.409 20.632 25.880 1.00 0.17 H new ATOM 0 HA ARG B 46 25.707 21.677 28.293 1.00 0.20 H new ATOM 0 HB2 ARG B 46 24.974 19.013 27.086 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.334 19.011 28.191 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.138 18.585 29.353 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.977 19.987 29.986 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.133 20.623 27.721 1.00 1.21 H new ATOM 0 HD3 ARG B 46 22.318 19.980 29.133 1.00 1.21 H new ATOM 0 HE ARG B 46 24.135 21.913 30.168 1.00 1.63 H new ATOM 0 HH11 ARG B 46 21.485 21.691 27.899 1.00 2.50 H new ATOM 0 HH12 ARG B 46 20.966 23.362 28.147 1.00 2.50 H new ATOM 0 HH21 ARG B 46 23.478 24.054 30.480 1.00 2.80 H new ATOM 0 HH22 ARG B 46 22.086 24.688 29.596 1.00 2.80 H new ATOM 2054 N ARG B 47 27.518 20.775 25.709 1.00 0.13 N ATOM 2055 CA ARG B 47 28.937 20.802 25.218 1.00 0.12 C ATOM 2056 C ARG B 47 29.360 22.259 24.977 1.00 0.11 C ATOM 2057 O ARG B 47 30.471 22.644 25.280 1.00 0.12 O ATOM 2058 CB ARG B 47 29.110 19.951 23.929 1.00 0.15 C ATOM 2059 CG ARG B 47 27.810 19.894 23.124 1.00 0.32 C ATOM 2060 CD ARG B 47 27.976 18.959 21.915 1.00 0.54 C ATOM 2061 NE ARG B 47 27.723 17.550 22.329 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.519 16.632 21.422 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.534 16.951 20.157 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.302 15.395 21.779 1.00 1.62 N ATOM 0 H ARG B 47 26.814 20.558 25.003 1.00 0.13 H new ATOM 0 HA ARG B 47 29.581 20.360 25.979 1.00 0.12 H new ATOM 0 HB2 ARG B 47 29.903 20.376 23.314 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.420 18.941 24.196 1.00 0.15 H new ATOM 0 HG2 ARG B 47 26.996 19.541 23.757 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.539 20.894 22.785 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.283 19.245 21.124 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.982 19.053 21.506 1.00 0.54 H new ATOM 0 HE ARG B 47 27.709 17.303 23.318 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.705 17.917 19.877 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.375 16.235 19.448 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.291 15.144 22.768 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.143 14.680 21.069 1.00 1.62 H new ATOM 2078 N ILE B 48 28.483 23.077 24.462 1.00 0.10 N ATOM 2079 CA ILE B 48 28.849 24.509 24.242 1.00 0.09 C ATOM 2080 C ILE B 48 29.237 25.119 25.585 1.00 0.10 C ATOM 2081 O ILE B 48 30.312 25.664 25.747 1.00 0.10 O ATOM 2082 CB ILE B 48 27.657 25.258 23.646 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.237 24.554 22.353 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.058 26.704 23.332 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.112 25.336 21.677 1.00 0.10 C ATOM 0 H ILE B 48 27.535 22.820 24.185 1.00 0.10 H new ATOM 0 HA ILE B 48 29.687 24.583 23.548 1.00 0.09 H new ATOM 0 HB ILE B 48 26.831 25.265 24.357 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.090 24.472 21.680 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.905 23.539 22.572 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.205 27.234 22.907 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.374 27.201 24.249 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.880 26.706 22.616 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.818 24.829 20.758 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.255 25.395 22.348 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.459 26.342 21.442 1.00 0.10 H new ATOM 2097 N GLU B 49 28.377 25.019 26.555 1.00 0.10 N ATOM 2098 CA GLU B 49 28.701 25.576 27.897 1.00 0.11 C ATOM 2099 C GLU B 49 30.067 25.060 28.326 1.00 0.11 C ATOM 2100 O GLU B 49 30.996 25.815 28.531 1.00 0.12 O ATOM 2101 CB GLU B 49 27.668 25.086 28.901 1.00 0.13 C ATOM 2102 CG GLU B 49 26.349 25.844 28.720 1.00 0.14 C ATOM 2103 CD GLU B 49 25.442 25.577 29.922 1.00 0.16 C ATOM 2104 OE1 GLU B 49 25.097 24.426 30.133 1.00 1.07 O ATOM 2105 OE2 GLU B 49 25.109 26.527 30.611 1.00 1.10 O ATOM 0 H GLU B 49 27.462 24.575 26.478 1.00 0.10 H new ATOM 0 HA GLU B 49 28.700 26.665 27.855 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.502 24.017 28.769 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.041 25.228 29.915 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.541 26.913 28.625 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.857 25.526 27.801 1.00 0.14 H new ATOM 2112 N GLU B 50 30.199 23.766 28.448 1.00 0.12 N ATOM 2113 CA GLU B 50 31.511 23.195 28.846 1.00 0.12 C ATOM 2114 C GLU B 50 32.561 23.769 27.911 1.00 0.11 C ATOM 2115 O GLU B 50 33.721 23.855 28.236 1.00 0.11 O ATOM 2116 CB GLU B 50 31.479 21.670 28.713 1.00 0.14 C ATOM 2117 CG GLU B 50 32.731 21.078 29.363 1.00 0.17 C ATOM 2118 CD GLU B 50 32.680 19.552 29.275 1.00 1.14 C ATOM 2119 OE1 GLU B 50 32.466 19.048 28.185 1.00 1.78 O ATOM 2120 OE2 GLU B 50 32.856 18.913 30.299 1.00 1.97 O ATOM 0 H GLU B 50 29.456 23.085 28.289 1.00 0.12 H new ATOM 0 HA GLU B 50 31.738 23.444 29.882 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.584 21.271 29.191 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.433 21.386 27.662 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.624 21.452 28.863 1.00 0.17 H new ATOM 0 HG3 GLU B 50 32.795 21.391 30.405 1.00 0.17 H new ATOM 2127 N GLY B 51 32.139 24.196 26.757 1.00 0.10 N ATOM 2128 CA GLY B 51 33.101 24.803 25.789 1.00 0.09 C ATOM 2129 C GLY B 51 33.449 26.203 26.284 1.00 0.09 C ATOM 2130 O GLY B 51 34.596 26.527 26.519 1.00 0.10 O ATOM 0 H GLY B 51 31.171 24.153 26.438 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.000 24.192 25.712 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.661 24.850 24.793 1.00 0.09 H new ATOM 2134 N GLN B 52 32.455 27.026 26.477 1.00 0.10 N ATOM 2135 CA GLN B 52 32.706 28.400 26.995 1.00 0.11 C ATOM 2136 C GLN B 52 33.578 28.280 28.233 1.00 0.11 C ATOM 2137 O GLN B 52 34.551 28.987 28.399 1.00 0.13 O ATOM 2138 CB GLN B 52 31.370 29.048 27.362 1.00 0.13 C ATOM 2139 CG GLN B 52 30.455 29.047 26.134 1.00 0.19 C ATOM 2140 CD GLN B 52 30.911 30.126 25.153 1.00 0.54 C ATOM 2141 OE1 GLN B 52 31.696 30.987 25.500 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.450 30.118 23.932 1.00 0.74 N ATOM 0 H GLN B 52 31.476 26.805 26.297 1.00 0.10 H new ATOM 0 HA GLN B 52 33.203 29.014 26.244 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.900 28.502 28.181 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.531 30.068 27.710 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.478 28.070 25.652 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.424 29.229 26.436 1.00 0.19 H new ATOM 0 HE21 GLN B 52 29.791 29.396 23.640 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.748 30.834 23.270 1.00 0.74 H new ATOM 2151 N TYR B 53 33.242 27.369 29.095 1.00 0.11 N ATOM 2152 CA TYR B 53 34.062 27.179 30.320 1.00 0.13 C ATOM 2153 C TYR B 53 35.504 26.862 29.908 1.00 0.13 C ATOM 2154 O TYR B 53 36.440 27.463 30.397 1.00 0.16 O ATOM 2155 CB TYR B 53 33.498 26.024 31.172 1.00 0.14 C ATOM 2156 CG TYR B 53 34.533 25.603 32.199 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.573 24.748 31.821 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.469 26.087 33.511 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.550 24.373 32.744 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.449 25.714 34.441 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.491 24.858 34.056 1.00 0.25 C ATOM 2162 OH TYR B 53 37.455 24.491 34.973 1.00 0.30 O ATOM 0 H TYR B 53 32.438 26.748 29.007 1.00 0.11 H new ATOM 0 HA TYR B 53 34.036 28.091 30.916 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.582 26.339 31.671 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.239 25.179 30.534 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.620 24.376 30.808 1.00 0.17 H new ATOM 0 HD2 TYR B 53 33.666 26.746 33.806 1.00 0.22 H new ATOM 0 HE1 TYR B 53 37.350 23.710 32.447 1.00 0.22 H new ATOM 0 HE2 TYR B 53 35.402 26.086 35.454 1.00 0.26 H new ATOM 0 HH TYR B 53 37.265 24.917 35.835 1.00 0.30 H new ATOM 2172 N VAL B 54 35.700 25.911 29.030 1.00 0.11 N ATOM 2173 CA VAL B 54 37.095 25.567 28.631 1.00 0.12 C ATOM 2174 C VAL B 54 37.813 26.846 28.217 1.00 0.12 C ATOM 2175 O VAL B 54 38.701 27.316 28.894 1.00 0.13 O ATOM 2176 CB VAL B 54 37.084 24.572 27.445 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.532 24.231 27.043 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.342 23.260 27.833 1.00 0.12 C ATOM 0 H VAL B 54 34.965 25.366 28.579 1.00 0.11 H new ATOM 0 HA VAL B 54 37.609 25.101 29.471 1.00 0.12 H new ATOM 0 HB VAL B 54 36.563 25.039 26.609 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.522 23.530 26.208 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.051 25.142 26.746 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.048 23.779 27.890 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.346 22.575 26.985 1.00 0.12 H new ATOM 0 HG22 VAL B 54 36.847 22.793 28.679 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.313 23.492 28.107 1.00 0.12 H new ATOM 2188 N VAL B 55 37.421 27.421 27.120 1.00 0.11 N ATOM 2189 CA VAL B 55 38.073 28.675 26.658 1.00 0.11 C ATOM 2190 C VAL B 55 38.151 29.657 27.828 1.00 0.14 C ATOM 2191 O VAL B 55 39.192 30.199 28.122 1.00 0.17 O ATOM 2192 CB VAL B 55 37.239 29.272 25.518 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.940 30.507 24.960 1.00 0.13 C ATOM 2194 CG2 VAL B 55 37.076 28.230 24.405 1.00 0.10 C ATOM 0 H VAL B 55 36.673 27.076 26.519 1.00 0.11 H new ATOM 0 HA VAL B 55 39.082 28.471 26.298 1.00 0.11 H new ATOM 0 HB VAL B 55 36.258 29.556 25.899 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.345 30.929 24.150 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.054 31.249 25.750 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.923 30.227 24.580 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.483 28.653 23.594 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.058 27.945 24.026 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.571 27.349 24.802 1.00 0.10 H new ATOM 2204 N ASN B 56 37.060 29.881 28.504 1.00 0.16 N ATOM 2205 CA ASN B 56 37.081 30.824 29.664 1.00 0.20 C ATOM 2206 C ASN B 56 38.283 30.513 30.565 1.00 0.22 C ATOM 2207 O ASN B 56 38.808 31.382 31.232 1.00 0.31 O ATOM 2208 CB ASN B 56 35.793 30.679 30.477 1.00 0.26 C ATOM 2209 CG ASN B 56 35.759 31.753 31.567 1.00 0.52 C ATOM 2210 OD1 ASN B 56 36.235 32.853 31.366 1.00 1.35 O ATOM 2211 ND2 ASN B 56 35.215 31.480 32.721 1.00 0.91 N ATOM 0 H ASN B 56 36.155 29.455 28.307 1.00 0.16 H new ATOM 0 HA ASN B 56 37.160 31.844 29.287 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.925 30.778 29.825 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.743 29.687 30.926 1.00 0.26 H new ATOM 0 HD21 ASN B 56 35.189 32.189 33.453 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.815 30.557 32.891 1.00 0.91 H new ATOM 2218 N GLU B 57 38.722 29.283 30.594 1.00 0.19 N ATOM 2219 CA GLU B 57 39.889 28.931 31.456 1.00 0.22 C ATOM 2220 C GLU B 57 41.175 29.440 30.792 1.00 0.22 C ATOM 2221 O GLU B 57 41.902 30.236 31.353 1.00 0.27 O ATOM 2222 CB GLU B 57 39.956 27.407 31.626 1.00 0.25 C ATOM 2223 CG GLU B 57 41.040 27.049 32.646 1.00 0.55 C ATOM 2224 CD GLU B 57 40.602 27.505 34.040 1.00 1.65 C ATOM 2225 OE1 GLU B 57 39.511 27.140 34.446 1.00 2.43 O ATOM 2226 OE2 GLU B 57 41.366 28.212 34.677 1.00 2.39 O ATOM 0 H GLU B 57 38.325 28.509 30.061 1.00 0.19 H new ATOM 0 HA GLU B 57 39.780 29.395 32.436 1.00 0.22 H new ATOM 0 HB2 GLU B 57 38.990 27.026 31.958 1.00 0.25 H new ATOM 0 HB3 GLU B 57 40.173 26.934 30.668 1.00 0.25 H new ATOM 0 HG2 GLU B 57 41.216 25.973 32.643 1.00 0.55 H new ATOM 0 HG3 GLU B 57 41.981 27.527 32.375 1.00 0.55 H new ATOM 2233 N TYR B 58 41.448 28.996 29.597 1.00 0.20 N ATOM 2234 CA TYR B 58 42.676 29.457 28.875 1.00 0.24 C ATOM 2235 C TYR B 58 42.475 30.884 28.427 1.00 0.24 C ATOM 2236 O TYR B 58 43.400 31.571 28.041 1.00 0.33 O ATOM 2237 CB TYR B 58 42.888 28.594 27.639 1.00 0.29 C ATOM 2238 CG TYR B 58 42.876 27.169 28.066 1.00 0.97 C ATOM 2239 CD1 TYR B 58 41.654 26.544 28.192 1.00 2.18 C ATOM 2240 CD2 TYR B 58 44.062 26.490 28.362 1.00 0.61 C ATOM 2241 CE1 TYR B 58 41.591 25.214 28.619 1.00 2.88 C ATOM 2242 CE2 TYR B 58 44.009 25.161 28.793 1.00 1.22 C ATOM 2243 CZ TYR B 58 42.770 24.522 28.922 1.00 2.36 C ATOM 2244 OH TYR B 58 42.709 23.211 29.348 1.00 3.06 O ATOM 0 H TYR B 58 40.872 28.329 29.083 1.00 0.20 H new ATOM 0 HA TYR B 58 43.538 29.382 29.538 1.00 0.24 H new ATOM 0 HB2 TYR B 58 42.103 28.779 26.906 1.00 0.29 H new ATOM 0 HB3 TYR B 58 43.836 28.840 27.160 1.00 0.29 H new ATOM 0 HD1 TYR B 58 40.746 27.081 27.961 1.00 2.18 H new ATOM 0 HD2 TYR B 58 45.014 26.990 28.258 1.00 0.61 H new ATOM 0 HE1 TYR B 58 40.635 24.721 28.715 1.00 2.88 H new ATOM 0 HE2 TYR B 58 44.920 24.630 29.025 1.00 1.22 H new ATOM 0 HH TYR B 58 43.244 23.106 30.162 1.00 3.06 H new ATOM 2254 N SER B 59 41.259 31.317 28.436 1.00 0.27 N ATOM 2255 CA SER B 59 40.954 32.681 27.971 1.00 0.34 C ATOM 2256 C SER B 59 41.944 33.678 28.586 1.00 0.37 C ATOM 2257 O SER B 59 42.287 34.680 27.990 1.00 0.52 O ATOM 2258 CB SER B 59 39.532 33.056 28.388 1.00 0.41 C ATOM 2259 OG SER B 59 38.604 32.410 27.532 1.00 1.45 O ATOM 0 H SER B 59 40.453 30.777 28.750 1.00 0.27 H new ATOM 0 HA SER B 59 41.039 32.715 26.885 1.00 0.34 H new ATOM 0 HB2 SER B 59 39.355 32.762 29.422 1.00 0.41 H new ATOM 0 HB3 SER B 59 39.399 34.137 28.337 1.00 0.41 H new ATOM 0 HG SER B 59 39.021 31.615 27.138 1.00 1.45 H new ATOM 2265 N ARG B 60 42.398 33.410 29.780 1.00 0.42 N ATOM 2266 CA ARG B 60 43.357 34.338 30.444 1.00 0.54 C ATOM 2267 C ARG B 60 44.763 34.116 29.882 1.00 0.61 C ATOM 2268 O ARG B 60 45.536 35.042 29.737 1.00 0.78 O ATOM 2269 CB ARG B 60 43.366 34.067 31.951 1.00 0.66 C ATOM 2270 CG ARG B 60 41.936 34.138 32.497 1.00 0.93 C ATOM 2271 CD ARG B 60 41.916 33.633 33.941 1.00 1.26 C ATOM 2272 NE ARG B 60 42.604 34.619 34.820 1.00 1.94 N ATOM 2273 CZ ARG B 60 42.468 34.543 36.115 1.00 2.56 C ATOM 2274 NH1 ARG B 60 41.742 33.593 36.639 1.00 2.77 N ATOM 2275 NH2 ARG B 60 43.059 35.414 36.886 1.00 3.52 N ATOM 0 H ARG B 60 42.145 32.586 30.326 1.00 0.42 H new ATOM 0 HA ARG B 60 43.051 35.367 30.257 1.00 0.54 H new ATOM 0 HB2 ARG B 60 43.794 33.085 32.151 1.00 0.66 H new ATOM 0 HB3 ARG B 60 43.996 34.798 32.458 1.00 0.66 H new ATOM 0 HG2 ARG B 60 41.569 35.164 32.454 1.00 0.93 H new ATOM 0 HG3 ARG B 60 41.269 33.535 31.880 1.00 0.93 H new ATOM 0 HD2 ARG B 60 40.888 33.489 34.273 1.00 1.26 H new ATOM 0 HD3 ARG B 60 42.411 32.664 34.006 1.00 1.26 H new ATOM 0 HE ARG B 60 43.181 35.353 34.410 1.00 1.94 H new ATOM 0 HH11 ARG B 60 41.282 32.911 36.036 1.00 2.77 H new ATOM 0 HH12 ARG B 60 41.635 33.533 37.652 1.00 2.77 H new ATOM 0 HH21 ARG B 60 43.628 36.155 36.476 1.00 3.52 H new ATOM 0 HH22 ARG B 60 42.952 35.354 37.899 1.00 3.52 H new ATOM 2289 N GLN B 61 45.103 32.896 29.567 1.00 0.61 N ATOM 2290 CA GLN B 61 46.461 32.621 29.017 1.00 0.76 C ATOM 2291 C GLN B 61 46.748 33.585 27.866 1.00 0.85 C ATOM 2292 O GLN B 61 47.872 33.992 27.648 1.00 1.06 O ATOM 2293 CB GLN B 61 46.523 31.181 28.505 1.00 0.79 C ATOM 2294 CG GLN B 61 47.980 30.791 28.255 1.00 1.26 C ATOM 2295 CD GLN B 61 48.687 30.572 29.591 1.00 1.65 C ATOM 2296 OE1 GLN B 61 49.820 30.976 29.766 1.00 2.28 O ATOM 2297 NE2 GLN B 61 48.064 29.948 30.548 1.00 2.31 N ATOM 0 H GLN B 61 44.500 32.079 29.666 1.00 0.61 H new ATOM 0 HA GLN B 61 47.206 32.759 29.801 1.00 0.76 H new ATOM 0 HB2 GLN B 61 46.074 30.505 29.233 1.00 0.79 H new ATOM 0 HB3 GLN B 61 45.947 31.086 27.585 1.00 0.79 H new ATOM 0 HG2 GLN B 61 48.026 29.883 27.654 1.00 1.26 H new ATOM 0 HG3 GLN B 61 48.485 31.574 27.689 1.00 1.26 H new ATOM 0 HE21 GLN B 61 47.113 29.609 30.401 1.00 2.31 H new ATOM 0 HE22 GLN B 61 48.526 29.798 31.445 1.00 2.31 H new ATOM 2306 N HIS B 62 45.737 33.957 27.129 1.00 0.79 N ATOM 2307 CA HIS B 62 45.947 34.898 25.993 1.00 0.97 C ATOM 2308 C HIS B 62 45.952 36.334 26.522 1.00 1.01 C ATOM 2309 O HIS B 62 46.273 37.267 25.814 1.00 1.27 O ATOM 2310 CB HIS B 62 44.814 34.725 24.980 1.00 1.05 C ATOM 2311 CG HIS B 62 44.798 33.302 24.491 1.00 1.28 C ATOM 2312 ND1 HIS B 62 45.563 32.882 23.410 1.00 1.77 N ATOM 2313 CD2 HIS B 62 44.122 32.189 24.928 1.00 1.57 C ATOM 2314 CE1 HIS B 62 45.331 31.567 23.235 1.00 1.97 C ATOM 2315 NE2 HIS B 62 44.462 31.101 24.133 1.00 1.83 N ATOM 0 H HIS B 62 44.774 33.649 27.265 1.00 0.79 H new ATOM 0 HA HIS B 62 46.901 34.688 25.509 1.00 0.97 H new ATOM 0 HB2 HIS B 62 43.858 34.974 25.440 1.00 1.05 H new ATOM 0 HB3 HIS B 62 44.952 35.408 24.142 1.00 1.05 H new ATOM 0 HD2 HIS B 62 43.434 32.163 25.760 1.00 1.57 H new ATOM 0 HE1 HIS B 62 45.791 30.966 22.465 1.00 1.97 H new ATOM 0 HE2 HIS B 62 44.118 30.144 24.219 1.00 1.83 H new ATOM 2323 N ASN B 63 45.601 36.513 27.766 1.00 1.00 N ATOM 2324 CA ASN B 63 45.586 37.883 28.352 1.00 1.16 C ATOM 2325 C ASN B 63 44.744 38.814 27.476 1.00 1.28 C ATOM 2326 O ASN B 63 45.235 39.788 26.942 1.00 1.86 O ATOM 2327 CB ASN B 63 47.018 38.417 28.435 1.00 1.33 C ATOM 2328 CG ASN B 63 47.026 39.738 29.207 1.00 1.93 C ATOM 2329 OD1 ASN B 63 47.244 40.788 28.636 1.00 2.59 O ATOM 2330 ND2 ASN B 63 46.795 39.729 30.492 1.00 2.66 N ATOM 0 H ASN B 63 45.323 35.767 28.404 1.00 1.00 H new ATOM 0 HA ASN B 63 45.152 37.842 29.351 1.00 1.16 H new ATOM 0 HB2 ASN B 63 47.661 37.690 28.931 1.00 1.33 H new ATOM 0 HB3 ASN B 63 47.420 38.567 27.433 1.00 1.33 H new ATOM 0 HD21 ASN B 63 46.798 40.604 31.017 1.00 2.66 H new ATOM 0 HD22 ASN B 63 46.612 38.847 30.971 1.00 2.66 H new ATOM 2337 N LEU B 64 43.479 38.526 27.328 1.00 1.29 N ATOM 2338 CA LEU B 64 42.611 39.402 26.489 1.00 1.43 C ATOM 2339 C LEU B 64 42.635 40.829 27.048 1.00 1.74 C ATOM 2340 O LEU B 64 43.533 41.201 27.777 1.00 2.20 O ATOM 2341 CB LEU B 64 41.171 38.852 26.465 1.00 1.43 C ATOM 2342 CG LEU B 64 40.459 39.067 27.812 1.00 1.54 C ATOM 2343 CD1 LEU B 64 39.065 38.439 27.745 1.00 1.59 C ATOM 2344 CD2 LEU B 64 41.254 38.408 28.945 1.00 2.41 C ATOM 0 H LEU B 64 43.010 37.725 27.750 1.00 1.29 H new ATOM 0 HA LEU B 64 42.988 39.417 25.467 1.00 1.43 H new ATOM 0 HB2 LEU B 64 40.607 39.343 25.672 1.00 1.43 H new ATOM 0 HB3 LEU B 64 41.191 37.788 26.230 1.00 1.43 H new ATOM 0 HG LEU B 64 40.382 40.136 28.009 1.00 1.54 H new ATOM 0 HD11 LEU B 64 38.553 38.587 28.696 1.00 1.59 H new ATOM 0 HD12 LEU B 64 38.491 38.911 26.947 1.00 1.59 H new ATOM 0 HD13 LEU B 64 39.156 37.372 27.544 1.00 1.59 H new ATOM 0 HD21 LEU B 64 40.739 38.568 29.892 1.00 2.41 H new ATOM 0 HD22 LEU B 64 41.340 37.338 28.755 1.00 2.41 H new ATOM 0 HD23 LEU B 64 42.250 38.849 28.995 1.00 2.41 H new ATOM 2356 N ASN B 65 41.663 41.636 26.712 1.00 2.14 N ATOM 2357 CA ASN B 65 41.641 43.023 27.219 1.00 2.59 C ATOM 2358 C ASN B 65 42.993 43.678 26.947 1.00 3.01 C ATOM 2359 O ASN B 65 43.771 43.926 27.846 1.00 3.52 O ATOM 2360 CB ASN B 65 41.361 43.008 28.712 1.00 3.25 C ATOM 2361 CG ASN B 65 39.945 42.488 28.967 1.00 3.82 C ATOM 2362 OD1 ASN B 65 39.551 42.296 30.100 1.00 4.30 O ATOM 2363 ND2 ASN B 65 39.159 42.249 27.953 1.00 4.34 N ATOM 0 H ASN B 65 40.883 41.385 26.104 1.00 2.14 H new ATOM 0 HA ASN B 65 40.859 43.591 26.715 1.00 2.59 H new ATOM 0 HB2 ASN B 65 42.088 42.376 29.222 1.00 3.25 H new ATOM 0 HB3 ASN B 65 41.469 44.012 29.122 1.00 3.25 H new ATOM 0 HD21 ASN B 65 38.213 41.901 28.112 1.00 4.34 H new ATOM 0 HD22 ASN B 65 39.490 42.410 27.002 1.00 4.34 H new ATOM 2370 N ILE B 66 43.274 43.953 25.705 1.00 0.00 N ATOM 2371 CA ILE B 66 44.572 44.588 25.343 1.00 0.00 C ATOM 2372 C ILE B 66 44.865 45.740 26.304 1.00 0.00 C ATOM 2373 O ILE B 66 45.715 45.646 27.167 1.00 0.00 O ATOM 2374 CB ILE B 66 44.486 45.120 23.905 1.00 0.00 C ATOM 2375 CG1 ILE B 66 43.772 44.093 23.016 1.00 0.00 C ATOM 2376 CG2 ILE B 66 45.895 45.371 23.363 1.00 0.00 C ATOM 2377 CD1 ILE B 66 44.403 42.713 23.206 1.00 0.00 C ATOM 0 H ILE B 66 42.654 43.763 24.917 1.00 0.00 H new ATOM 0 HA ILE B 66 45.374 43.853 25.414 1.00 0.00 H new ATOM 0 HB ILE B 66 43.925 46.054 23.902 1.00 0.00 H new ATOM 0 HG12 ILE B 66 42.712 44.056 23.268 1.00 0.00 H new ATOM 0 HG13 ILE B 66 43.841 44.393 21.971 1.00 0.00 H new ATOM 0 HG21 ILE B 66 45.830 45.748 22.342 1.00 0.00 H new ATOM 0 HG22 ILE B 66 46.401 46.105 23.990 1.00 0.00 H new ATOM 0 HG23 ILE B 66 46.459 44.438 23.370 1.00 0.00 H new ATOM 0 HD11 ILE B 66 43.892 41.989 22.572 1.00 0.00 H new ATOM 0 HD12 ILE B 66 45.457 42.754 22.932 1.00 0.00 H new ATOM 0 HD13 ILE B 66 44.311 42.411 24.249 1.00 0.00 H new ATOM 2389 N TYR B 67 44.162 46.824 26.161 1.00 0.00 N ATOM 2390 CA TYR B 67 44.390 47.984 27.065 1.00 0.00 C ATOM 2391 C TYR B 67 44.150 47.549 28.512 1.00 0.00 C ATOM 2392 O TYR B 67 43.418 46.617 28.775 1.00 0.00 O ATOM 2393 CB TYR B 67 43.421 49.110 26.702 1.00 0.00 C ATOM 2394 CG TYR B 67 43.539 49.419 25.227 1.00 0.00 C ATOM 2395 CD1 TYR B 67 44.653 50.118 24.747 1.00 0.00 C ATOM 2396 CD2 TYR B 67 42.535 49.008 24.341 1.00 0.00 C ATOM 2397 CE1 TYR B 67 44.764 50.406 23.381 1.00 0.00 C ATOM 2398 CE2 TYR B 67 42.646 49.296 22.975 1.00 0.00 C ATOM 2399 CZ TYR B 67 43.760 49.995 22.495 1.00 0.00 C ATOM 2400 OH TYR B 67 43.870 50.278 21.149 1.00 0.00 O ATOM 0 H TYR B 67 43.437 46.959 25.456 1.00 0.00 H new ATOM 0 HA TYR B 67 45.415 48.340 26.955 1.00 0.00 H new ATOM 0 HB2 TYR B 67 42.399 48.817 26.943 1.00 0.00 H new ATOM 0 HB3 TYR B 67 43.644 50.000 27.290 1.00 0.00 H new ATOM 0 HD1 TYR B 67 45.427 50.435 25.430 1.00 0.00 H new ATOM 0 HD2 TYR B 67 41.675 48.469 24.711 1.00 0.00 H new ATOM 0 HE1 TYR B 67 45.624 50.945 23.011 1.00 0.00 H new ATOM 0 HE2 TYR B 67 41.872 48.979 22.292 1.00 0.00 H new ATOM 0 HH TYR B 67 43.090 49.922 20.675 1.00 0.00 H new ATOM 2410 N ASP B 68 44.761 48.215 29.453 1.00 0.00 N ATOM 2411 CA ASP B 68 44.563 47.835 30.879 1.00 0.00 C ATOM 2412 C ASP B 68 43.167 48.268 31.330 1.00 0.00 C ATOM 2413 O ASP B 68 42.974 48.719 32.442 1.00 0.00 O ATOM 2414 CB ASP B 68 45.619 48.527 31.744 1.00 0.00 C ATOM 2415 CG ASP B 68 47.004 48.305 31.133 1.00 0.00 C ATOM 2416 OD1 ASP B 68 47.403 49.112 30.309 1.00 0.00 O ATOM 2417 OD2 ASP B 68 47.643 47.333 31.501 1.00 0.00 O ATOM 0 H ASP B 68 45.388 49.004 29.296 1.00 0.00 H new ATOM 0 HA ASP B 68 44.661 46.755 30.986 1.00 0.00 H new ATOM 0 HB2 ASP B 68 45.407 49.594 31.812 1.00 0.00 H new ATOM 0 HB3 ASP B 68 45.590 48.131 32.759 1.00 0.00 H new ATOM 2422 N GLY B 69 42.189 48.133 30.474 1.00 0.00 N ATOM 2423 CA GLY B 69 40.802 48.534 30.848 1.00 0.00 C ATOM 2424 C GLY B 69 40.125 47.389 31.599 1.00 0.00 C ATOM 2425 O GLY B 69 39.074 46.914 31.216 1.00 0.00 O ATOM 0 H GLY B 69 42.292 47.761 29.530 1.00 0.00 H new ATOM 0 HA2 GLY B 69 40.826 49.428 31.471 1.00 0.00 H new ATOM 0 HA3 GLY B 69 40.231 48.784 29.954 1.00 0.00 H new ATOM 2429 N GLY B 70 40.723 46.941 32.666 1.00 0.00 N ATOM 2430 CA GLY B 70 40.123 45.825 33.449 1.00 0.00 C ATOM 2431 C GLY B 70 41.059 45.454 34.600 1.00 0.00 C ATOM 2432 O GLY B 70 40.691 45.512 35.757 1.00 0.00 O ATOM 0 H GLY B 70 41.605 47.301 33.031 1.00 0.00 H new ATOM 0 HA2 GLY B 70 39.149 46.121 33.838 1.00 0.00 H new ATOM 0 HA3 GLY B 70 39.959 44.961 32.805 1.00 0.00 H new ATOM 2436 N GLU B 71 42.268 45.074 34.292 1.00 0.00 N ATOM 2437 CA GLU B 71 43.229 44.702 35.368 1.00 0.00 C ATOM 2438 C GLU B 71 43.695 45.969 36.091 1.00 0.00 C ATOM 2439 O GLU B 71 44.858 46.132 36.388 1.00 0.00 O ATOM 2440 CB GLU B 71 44.434 43.983 34.748 1.00 0.00 C ATOM 2441 CG GLU B 71 45.192 43.213 35.833 1.00 0.00 C ATOM 2442 CD GLU B 71 46.369 42.466 35.203 1.00 0.00 C ATOM 2443 OE1 GLU B 71 47.397 43.088 34.996 1.00 0.00 O ATOM 2444 OE2 GLU B 71 46.221 41.284 34.938 1.00 0.00 O ATOM 0 H GLU B 71 42.632 45.005 33.342 1.00 0.00 H new ATOM 0 HA GLU B 71 42.743 44.038 36.083 1.00 0.00 H new ATOM 0 HB2 GLU B 71 44.099 43.298 33.969 1.00 0.00 H new ATOM 0 HB3 GLU B 71 45.096 44.707 34.273 1.00 0.00 H new ATOM 0 HG2 GLU B 71 45.552 43.901 36.598 1.00 0.00 H new ATOM 0 HG3 GLU B 71 44.524 42.508 36.328 1.00 0.00 H new ATOM 2451 N LEU B 72 42.791 46.869 36.369 1.00 0.00 N ATOM 2452 CA LEU B 72 43.157 48.128 37.064 1.00 0.00 C ATOM 2453 C LEU B 72 43.740 47.800 38.457 1.00 0.00 C ATOM 2454 O LEU B 72 44.576 46.932 38.593 1.00 0.00 O ATOM 2455 CB LEU B 72 41.864 48.965 37.170 1.00 0.00 C ATOM 2456 CG LEU B 72 42.126 50.461 36.954 1.00 0.00 C ATOM 2457 CD1 LEU B 72 43.088 50.993 38.023 1.00 0.00 C ATOM 2458 CD2 LEU B 72 42.696 50.725 35.541 1.00 0.00 C ATOM 0 H LEU B 72 41.801 46.780 36.139 1.00 0.00 H new ATOM 0 HA LEU B 72 43.920 48.688 36.523 1.00 0.00 H new ATOM 0 HB2 LEU B 72 41.143 48.613 36.432 1.00 0.00 H new ATOM 0 HB3 LEU B 72 41.414 48.814 38.151 1.00 0.00 H new ATOM 0 HG LEU B 72 41.176 50.988 37.041 1.00 0.00 H new ATOM 0 HD11 LEU B 72 43.265 52.056 37.857 1.00 0.00 H new ATOM 0 HD12 LEU B 72 42.651 50.848 39.011 1.00 0.00 H new ATOM 0 HD13 LEU B 72 44.034 50.454 37.962 1.00 0.00 H new ATOM 0 HD21 LEU B 72 42.873 51.793 35.414 1.00 0.00 H new ATOM 0 HD22 LEU B 72 43.635 50.185 35.421 1.00 0.00 H new ATOM 0 HD23 LEU B 72 41.982 50.383 34.791 1.00 0.00 H new ATOM 2470 N ARG B 73 43.303 48.485 39.482 1.00 0.00 N ATOM 2471 CA ARG B 73 43.817 48.221 40.863 1.00 0.00 C ATOM 2472 C ARG B 73 45.333 48.441 40.931 1.00 0.00 C ATOM 2473 O ARG B 73 45.930 49.036 40.056 1.00 0.00 O ATOM 2474 CB ARG B 73 43.482 46.781 41.296 1.00 0.00 C ATOM 2475 CG ARG B 73 41.950 46.513 41.178 1.00 0.00 C ATOM 2476 CD ARG B 73 41.638 45.584 39.987 1.00 0.00 C ATOM 2477 NE ARG B 73 40.276 45.898 39.444 1.00 0.00 N ATOM 2478 CZ ARG B 73 39.230 45.977 40.226 1.00 0.00 C ATOM 2479 NH1 ARG B 73 39.302 45.608 41.476 1.00 0.00 N ATOM 2480 NH2 ARG B 73 38.087 46.375 39.736 1.00 0.00 N ATOM 0 H ARG B 73 42.604 49.225 39.422 1.00 0.00 H new ATOM 0 HA ARG B 73 43.330 48.921 41.542 1.00 0.00 H new ATOM 0 HB2 ARG B 73 44.029 46.072 40.674 1.00 0.00 H new ATOM 0 HB3 ARG B 73 43.806 46.620 42.324 1.00 0.00 H new ATOM 0 HG2 ARG B 73 41.585 46.062 42.100 1.00 0.00 H new ATOM 0 HG3 ARG B 73 41.421 47.458 41.054 1.00 0.00 H new ATOM 0 HD2 ARG B 73 42.389 45.712 39.207 1.00 0.00 H new ATOM 0 HD3 ARG B 73 41.682 44.542 40.305 1.00 0.00 H new ATOM 0 HE ARG B 73 40.162 46.054 38.442 1.00 0.00 H new ATOM 0 HH11 ARG B 73 40.181 45.253 41.853 1.00 0.00 H new ATOM 0 HH12 ARG B 73 38.479 45.674 42.076 1.00 0.00 H new ATOM 0 HH21 ARG B 73 38.013 46.622 38.749 1.00 0.00 H new ATOM 0 HH22 ARG B 73 37.268 46.439 40.340 1.00 0.00 H new ATOM 2494 N ASN B 74 45.949 47.980 41.989 1.00 0.00 N ATOM 2495 CA ASN B 74 47.421 48.169 42.166 1.00 0.00 C ATOM 2496 C ASN B 74 48.192 47.739 40.913 1.00 0.00 C ATOM 2497 O ASN B 74 49.380 47.969 40.806 1.00 0.00 O ATOM 2498 CB ASN B 74 47.899 47.333 43.356 1.00 0.00 C ATOM 2499 CG ASN B 74 46.990 47.584 44.561 1.00 0.00 C ATOM 2500 OD1 ASN B 74 46.200 48.508 44.560 1.00 0.00 O ATOM 2501 ND2 ASN B 74 47.068 46.794 45.597 1.00 0.00 N ATOM 0 H ASN B 74 45.490 47.475 42.747 1.00 0.00 H new ATOM 0 HA ASN B 74 47.609 49.228 42.342 1.00 0.00 H new ATOM 0 HB2 ASN B 74 47.890 46.274 43.096 1.00 0.00 H new ATOM 0 HB3 ASN B 74 48.928 47.592 43.605 1.00 0.00 H new ATOM 0 HD21 ASN B 74 46.466 46.952 46.405 1.00 0.00 H new ATOM 0 HD22 ASN B 74 47.731 46.019 45.598 1.00 0.00 H new ATOM 2508 N THR B 75 47.546 47.115 39.968 1.00 0.00 N ATOM 2509 CA THR B 75 48.279 46.681 38.741 1.00 0.00 C ATOM 2510 C THR B 75 49.123 47.843 38.202 1.00 0.00 C ATOM 2511 O THR B 75 48.604 48.869 37.815 1.00 0.00 O ATOM 2512 CB THR B 75 47.278 46.238 37.672 1.00 0.00 C ATOM 2513 OG1 THR B 75 46.311 45.379 38.261 1.00 0.00 O ATOM 2514 CG2 THR B 75 48.011 45.488 36.555 1.00 0.00 C ATOM 0 H THR B 75 46.552 46.887 39.989 1.00 0.00 H new ATOM 0 HA THR B 75 48.933 45.846 38.993 1.00 0.00 H new ATOM 0 HB THR B 75 46.785 47.115 37.253 1.00 0.00 H new ATOM 0 HG1 THR B 75 45.411 45.698 38.039 1.00 0.00 H new ATOM 0 HG21 THR B 75 47.294 45.174 35.796 1.00 0.00 H new ATOM 0 HG22 THR B 75 48.754 46.145 36.103 1.00 0.00 H new ATOM 0 HG23 THR B 75 48.507 44.611 36.970 1.00 0.00 H new ATOM 2522 N THR B 76 50.421 47.675 38.178 1.00 0.00 N ATOM 2523 CA THR B 76 51.337 48.747 37.673 1.00 0.00 C ATOM 2524 C THR B 76 50.890 50.127 38.170 1.00 0.00 C ATOM 2525 O THR B 76 50.039 50.246 39.028 1.00 0.00 O ATOM 2526 CB THR B 76 51.395 48.727 36.133 1.00 0.00 C ATOM 2527 OG1 THR B 76 52.328 49.703 35.692 1.00 0.00 O ATOM 2528 CG2 THR B 76 50.022 49.031 35.517 1.00 0.00 C ATOM 0 H THR B 76 50.894 46.827 38.492 1.00 0.00 H new ATOM 0 HA THR B 76 52.336 48.549 38.063 1.00 0.00 H new ATOM 0 HB THR B 76 51.700 47.730 35.814 1.00 0.00 H new ATOM 0 HG1 THR B 76 53.148 49.637 36.225 1.00 0.00 H new ATOM 0 HG21 THR B 76 50.098 49.009 34.430 1.00 0.00 H new ATOM 0 HG22 THR B 76 49.302 48.282 35.846 1.00 0.00 H new ATOM 0 HG23 THR B 76 49.690 50.018 35.838 1.00 0.00 H new ATOM 2536 N ARG B 77 51.476 51.169 37.627 1.00 0.00 N ATOM 2537 CA ARG B 77 51.132 52.559 38.029 1.00 0.00 C ATOM 2538 C ARG B 77 50.874 52.629 39.534 1.00 0.00 C ATOM 2539 O ARG B 77 51.712 52.278 40.339 1.00 0.00 O ATOM 2540 CB ARG B 77 49.881 53.011 37.268 1.00 0.00 C ATOM 2541 CG ARG B 77 50.176 53.040 35.767 1.00 0.00 C ATOM 2542 CD ARG B 77 48.951 53.564 35.016 1.00 0.00 C ATOM 2543 NE ARG B 77 48.828 55.034 35.229 1.00 0.00 N ATOM 2544 CZ ARG B 77 48.045 55.741 34.460 1.00 0.00 C ATOM 2545 NH1 ARG B 77 47.373 55.160 33.504 1.00 0.00 N ATOM 2546 NH2 ARG B 77 47.936 57.027 34.647 1.00 0.00 N ATOM 0 H ARG B 77 52.194 51.106 36.906 1.00 0.00 H new ATOM 0 HA ARG B 77 51.967 53.217 37.788 1.00 0.00 H new ATOM 0 HB2 ARG B 77 49.053 52.332 37.473 1.00 0.00 H new ATOM 0 HB3 ARG B 77 49.574 54.000 37.608 1.00 0.00 H new ATOM 0 HG2 ARG B 77 51.038 53.677 35.567 1.00 0.00 H new ATOM 0 HG3 ARG B 77 50.430 52.040 35.416 1.00 0.00 H new ATOM 0 HD2 ARG B 77 49.043 53.347 33.952 1.00 0.00 H new ATOM 0 HD3 ARG B 77 48.052 53.058 35.368 1.00 0.00 H new ATOM 0 HE ARG B 77 49.355 55.487 35.975 1.00 0.00 H new ATOM 0 HH11 ARG B 77 47.460 54.154 33.358 1.00 0.00 H new ATOM 0 HH12 ARG B 77 46.761 55.712 32.903 1.00 0.00 H new ATOM 0 HH21 ARG B 77 48.462 57.480 35.394 1.00 0.00 H new ATOM 0 HH22 ARG B 77 47.324 57.580 34.046 1.00 0.00 H new ATOM 2560 N GLN B 78 49.711 53.074 39.894 1.00 0.00 N ATOM 2561 CA GLN B 78 49.329 53.188 41.334 1.00 0.00 C ATOM 2562 C GLN B 78 47.927 53.801 41.424 1.00 0.00 C ATOM 2563 O GLN B 78 47.659 54.843 40.859 1.00 0.00 O ATOM 2564 CB GLN B 78 50.328 54.091 42.076 1.00 0.00 C ATOM 2565 CG GLN B 78 49.793 54.419 43.475 1.00 0.00 C ATOM 2566 CD GLN B 78 50.920 54.993 44.336 1.00 0.00 C ATOM 2567 OE1 GLN B 78 50.914 54.846 45.542 1.00 0.00 O ATOM 2568 NE2 GLN B 78 51.896 55.644 43.764 1.00 0.00 N ATOM 0 H GLN B 78 48.987 53.372 39.240 1.00 0.00 H new ATOM 0 HA GLN B 78 49.339 52.199 41.793 1.00 0.00 H new ATOM 0 HB2 GLN B 78 51.294 53.593 42.154 1.00 0.00 H new ATOM 0 HB3 GLN B 78 50.488 55.011 41.513 1.00 0.00 H new ATOM 0 HG2 GLN B 78 48.975 55.136 43.403 1.00 0.00 H new ATOM 0 HG3 GLN B 78 49.388 53.520 43.940 1.00 0.00 H new ATOM 0 HE21 GLN B 78 51.902 55.768 42.752 1.00 0.00 H new ATOM 0 HE22 GLN B 78 52.653 56.029 44.329 1.00 0.00 H new ATOM 2577 N CYS B 79 47.034 53.167 42.130 1.00 0.00 N ATOM 2578 CA CYS B 79 45.655 53.721 42.255 1.00 0.00 C ATOM 2579 C CYS B 79 45.719 55.100 42.915 1.00 0.00 C ATOM 2580 O CYS B 79 45.793 55.218 44.122 1.00 0.00 O ATOM 2581 CB CYS B 79 44.806 52.784 43.116 1.00 0.00 C ATOM 2582 SG CYS B 79 44.875 51.110 42.431 1.00 0.00 S ATOM 0 H CYS B 79 47.197 52.291 42.626 1.00 0.00 H new ATOM 0 HA CYS B 79 45.208 53.811 41.265 1.00 0.00 H new ATOM 0 HB2 CYS B 79 45.172 52.784 44.143 1.00 0.00 H new ATOM 0 HB3 CYS B 79 43.774 53.134 43.146 1.00 0.00 H new ATOM 0 HG CYS B 79 45.375 50.299 43.316 1.00 0.00 H new ATOM 2588 N GLY B 80 45.693 56.145 42.133 1.00 0.00 N ATOM 2589 CA GLY B 80 45.754 57.515 42.718 1.00 0.00 C ATOM 2590 C GLY B 80 45.758 58.552 41.593 1.00 0.00 C ATOM 2591 O GLY B 80 45.818 59.731 41.902 1.00 0.00 O ATOM 2592 OXT GLY B 80 45.702 58.150 40.443 1.00 0.00 O ATOM 0 H GLY B 80 45.632 56.109 41.115 1.00 0.00 H new ATOM 0 HA2 GLY B 80 44.900 57.679 43.375 1.00 0.00 H new ATOM 0 HA3 GLY B 80 46.651 57.622 43.328 1.00 0.00 H new TER 2596 GLY B 80