USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=39 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 22 TYR OH : rot -110:sc= -1.16! USER MOD Set 1.2: B 52 GLN : amide:sc= -3.18! C(o=-4.3!,f=-5!) USER MOD Set 2.1: A 58 TYR OH : rot 31:sc= 0.926 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.7 K(o=-0.78,f=-1.6) USER MOD Set 3.1: A 22 TYR OH : rot 74:sc= -0.359 USER MOD Set 3.2: A 52 GLN :FLIP amide:sc= -5.04! C(o=-6.8!,f=-5.4!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -136:sc= -1.24 (180deg=-3.51!) USER MOD Set 4.2: A 45 SER OG : rot 50:sc= -2.2! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.624! USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -67:sc= -1.26 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.141) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -157:sc= -0.408 (180deg=-3.46) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0192 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc=-0.00103 (180deg=-0.189) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.449 F(o=-4.3!,f=-0.45) USER MOD Single : A 53 TYR OH : rot 142:sc= -1.26! USER MOD Single : A 56 ASN : amide:sc= -5.25! C(o=-5.2!,f=-18!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.66) USER MOD Single : A 63 ASN :FLIP amide:sc= -2.68! C(o=-11!,f=-2.7!) USER MOD Single : A 65 ASN : amide:sc= -0.912 K(o=-0.91,f=-6.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.21! C(o=-3.2!,f=-4.8!) USER MOD Single : A 75 THR OG1 : rot -5:sc= -0.871! USER MOD Single : A 76 THR OG1 : rot -8:sc= 0.554! USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 CYS SG : rot 45:sc= 0.508 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.423 USER MOD Single : B 6 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 180:sc= -6.86! USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.295) USER MOD Single : B 27 MET CE :methyl 157:sc= 0 (180deg=-0.584) USER MOD Single : B 30 MET CE :methyl 162:sc= -0.334 (180deg=-1.34) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.28) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.181 F(o=-3.1!,f=-0.18) USER MOD Single : B 45 SER OG : rot -62:sc= 0.582 USER MOD Single : B 53 TYR OH : rot 180:sc= -0.0482 USER MOD Single : B 56 ASN : amide:sc= -0.0409 K(o=-0.041,f=-2.4!) USER MOD Single : B 58 TYR OH : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 61 GLN :FLIP amide:sc= -0.4 F(o=-2.9!,f=-0.4) USER MOD Single : B 62 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.5) USER MOD Single : B 63 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.32) USER MOD Single : B 65 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.5!) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 ASN : amide:sc= -0.394 K(o=-0.39,f=-2.2) USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 THR OG1 : rot -101:sc= -0.272 USER MOD Single : B 78 GLN : amide:sc=-0.00192 X(o=-0.0019,f=-0.14) USER MOD Single : B 79 CYS SG : rot 180:sc= -0.232! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.046 16.821 31.023 1.00 6.58 N ATOM 2 CA GLY A 1 44.254 16.093 30.429 1.00 5.97 C ATOM 3 C GLY A 1 45.157 16.810 29.484 1.00 5.09 C ATOM 4 O GLY A 1 44.726 17.634 28.702 1.00 5.27 O ATOM 0 H1 GLY A 1 42.530 16.177 31.656 1.00 6.58 H new ATOM 0 H2 GLY A 1 43.370 17.650 31.561 1.00 6.58 H new ATOM 0 H3 GLY A 1 42.416 17.131 30.256 1.00 6.58 H new ATOM 0 HA2 GLY A 1 44.865 15.743 31.261 1.00 5.97 H new ATOM 0 HA3 GLY A 1 43.880 15.208 29.914 1.00 5.97 H new ATOM 10 N SER A 2 46.429 16.520 29.530 1.00 4.50 N ATOM 11 CA SER A 2 47.384 17.204 28.612 1.00 3.95 C ATOM 12 C SER A 2 47.124 18.718 28.626 1.00 3.15 C ATOM 13 O SER A 2 46.689 19.268 27.633 1.00 3.20 O ATOM 14 CB SER A 2 47.186 16.672 27.192 1.00 4.48 C ATOM 15 OG SER A 2 45.894 17.043 26.728 1.00 5.04 O ATOM 0 H SER A 2 46.848 15.839 30.163 1.00 4.50 H new ATOM 0 HA SER A 2 48.405 17.010 28.942 1.00 3.95 H new ATOM 0 HB2 SER A 2 47.952 17.075 26.530 1.00 4.48 H new ATOM 0 HB3 SER A 2 47.292 15.587 27.179 1.00 4.48 H new ATOM 0 HG SER A 2 45.566 17.806 27.249 1.00 5.04 H new ATOM 21 N PRO A 3 47.391 19.357 29.747 1.00 2.92 N ATOM 22 CA PRO A 3 47.176 20.811 29.874 1.00 2.64 C ATOM 23 C PRO A 3 48.094 21.560 28.896 1.00 2.05 C ATOM 24 O PRO A 3 47.816 22.673 28.497 1.00 2.43 O ATOM 25 CB PRO A 3 47.527 21.139 31.346 1.00 3.31 C ATOM 26 CG PRO A 3 47.997 19.817 32.022 1.00 3.84 C ATOM 27 CD PRO A 3 47.919 18.696 30.961 1.00 3.57 C ATOM 0 HA PRO A 3 46.156 21.112 29.634 1.00 2.64 H new ATOM 0 HB2 PRO A 3 48.312 21.894 31.394 1.00 3.31 H new ATOM 0 HB3 PRO A 3 46.660 21.548 31.865 1.00 3.31 H new ATOM 0 HG2 PRO A 3 49.016 19.920 32.396 1.00 3.84 H new ATOM 0 HG3 PRO A 3 47.365 19.579 32.878 1.00 3.84 H new ATOM 0 HD2 PRO A 3 48.900 18.257 30.777 1.00 3.57 H new ATOM 0 HD3 PRO A 3 47.264 17.888 31.287 1.00 3.57 H new ATOM 35 N LEU A 4 49.187 20.956 28.512 1.00 1.82 N ATOM 36 CA LEU A 4 50.124 21.630 27.566 1.00 1.56 C ATOM 37 C LEU A 4 49.636 21.424 26.129 1.00 1.26 C ATOM 38 O LEU A 4 49.840 22.259 25.270 1.00 1.39 O ATOM 39 CB LEU A 4 51.523 21.024 27.729 1.00 2.02 C ATOM 40 CG LEU A 4 52.531 21.740 26.816 1.00 2.71 C ATOM 41 CD1 LEU A 4 52.681 23.213 27.237 1.00 3.37 C ATOM 42 CD2 LEU A 4 53.886 21.032 26.924 1.00 3.27 C ATOM 0 H LEU A 4 49.472 20.024 28.813 1.00 1.82 H new ATOM 0 HA LEU A 4 50.161 22.698 27.782 1.00 1.56 H new ATOM 0 HB2 LEU A 4 51.842 21.106 28.768 1.00 2.02 H new ATOM 0 HB3 LEU A 4 51.496 19.961 27.487 1.00 2.02 H new ATOM 0 HG LEU A 4 52.174 21.708 25.787 1.00 2.71 H new ATOM 0 HD11 LEU A 4 53.398 23.708 26.582 1.00 3.37 H new ATOM 0 HD12 LEU A 4 51.715 23.713 27.162 1.00 3.37 H new ATOM 0 HD13 LEU A 4 53.036 23.263 28.266 1.00 3.37 H new ATOM 0 HD21 LEU A 4 54.610 21.531 26.280 1.00 3.27 H new ATOM 0 HD22 LEU A 4 54.234 21.067 27.956 1.00 3.27 H new ATOM 0 HD23 LEU A 4 53.779 19.993 26.612 1.00 3.27 H new ATOM 54 N GLY A 5 48.998 20.318 25.860 1.00 1.15 N ATOM 55 CA GLY A 5 48.505 20.060 24.476 1.00 1.08 C ATOM 56 C GLY A 5 47.217 20.848 24.227 1.00 0.85 C ATOM 57 O GLY A 5 46.831 21.082 23.099 1.00 0.91 O ATOM 0 H GLY A 5 48.797 19.582 26.537 1.00 1.15 H new ATOM 0 HA2 GLY A 5 49.265 20.349 23.750 1.00 1.08 H new ATOM 0 HA3 GLY A 5 48.322 18.994 24.338 1.00 1.08 H new ATOM 61 N GLN A 6 46.545 21.255 25.269 1.00 0.75 N ATOM 62 CA GLN A 6 45.280 22.023 25.084 1.00 0.73 C ATOM 63 C GLN A 6 45.576 23.334 24.351 1.00 0.58 C ATOM 64 O GLN A 6 44.690 23.970 23.817 1.00 0.62 O ATOM 65 CB GLN A 6 44.665 22.330 26.453 1.00 0.91 C ATOM 66 CG GLN A 6 43.205 22.756 26.276 1.00 1.13 C ATOM 67 CD GLN A 6 42.556 22.940 27.649 1.00 1.99 C ATOM 68 OE1 GLN A 6 43.171 23.459 28.560 1.00 2.72 O ATOM 69 NE2 GLN A 6 41.331 22.532 27.838 1.00 2.62 N ATOM 0 H GLN A 6 46.816 21.090 26.238 1.00 0.75 H new ATOM 0 HA GLN A 6 44.580 21.431 24.495 1.00 0.73 H new ATOM 0 HB2 GLN A 6 44.723 21.451 27.094 1.00 0.91 H new ATOM 0 HB3 GLN A 6 45.228 23.122 26.947 1.00 0.91 H new ATOM 0 HG2 GLN A 6 43.153 23.686 25.710 1.00 1.13 H new ATOM 0 HG3 GLN A 6 42.663 22.004 25.704 1.00 1.13 H new ATOM 0 HE21 GLN A 6 40.815 22.096 27.074 1.00 2.62 H new ATOM 0 HE22 GLN A 6 40.890 22.649 28.750 1.00 2.62 H new ATOM 78 N ASP A 7 46.814 23.747 24.326 1.00 0.55 N ATOM 79 CA ASP A 7 47.158 25.020 23.632 1.00 0.53 C ATOM 80 C ASP A 7 46.965 24.854 22.125 1.00 0.43 C ATOM 81 O ASP A 7 46.246 25.602 21.494 1.00 0.48 O ATOM 82 CB ASP A 7 48.618 25.379 23.922 1.00 0.67 C ATOM 83 CG ASP A 7 48.868 26.845 23.560 1.00 1.37 C ATOM 84 OD1 ASP A 7 48.342 27.283 22.550 1.00 1.94 O ATOM 85 OD2 ASP A 7 49.579 27.504 24.301 1.00 2.11 O ATOM 0 H ASP A 7 47.600 23.259 24.755 1.00 0.55 H new ATOM 0 HA ASP A 7 46.507 25.816 23.993 1.00 0.53 H new ATOM 0 HB2 ASP A 7 48.842 25.211 24.975 1.00 0.67 H new ATOM 0 HB3 ASP A 7 49.283 24.734 23.348 1.00 0.67 H new ATOM 90 N VAL A 8 47.601 23.877 21.547 1.00 0.38 N ATOM 91 CA VAL A 8 47.457 23.657 20.080 1.00 0.43 C ATOM 92 C VAL A 8 45.972 23.601 19.720 1.00 0.40 C ATOM 93 O VAL A 8 45.544 24.141 18.719 1.00 0.55 O ATOM 94 CB VAL A 8 48.128 22.338 19.693 1.00 0.52 C ATOM 95 CG1 VAL A 8 48.206 22.232 18.169 1.00 1.02 C ATOM 96 CG2 VAL A 8 49.542 22.296 20.278 1.00 1.23 C ATOM 0 H VAL A 8 48.216 23.219 22.026 1.00 0.38 H new ATOM 0 HA VAL A 8 47.932 24.476 19.540 1.00 0.43 H new ATOM 0 HB VAL A 8 47.545 21.505 20.086 1.00 0.52 H new ATOM 0 HG11 VAL A 8 48.684 21.292 17.894 1.00 1.02 H new ATOM 0 HG12 VAL A 8 47.200 22.264 17.750 1.00 1.02 H new ATOM 0 HG13 VAL A 8 48.789 23.065 17.776 1.00 1.02 H new ATOM 0 HG21 VAL A 8 50.022 21.357 20.003 1.00 1.23 H new ATOM 0 HG22 VAL A 8 50.124 23.129 19.884 1.00 1.23 H new ATOM 0 HG23 VAL A 8 49.489 22.372 21.364 1.00 1.23 H new ATOM 106 N PHE A 9 45.180 22.953 20.530 1.00 0.27 N ATOM 107 CA PHE A 9 43.720 22.862 20.240 1.00 0.25 C ATOM 108 C PHE A 9 43.182 24.246 19.872 1.00 0.25 C ATOM 109 O PHE A 9 42.366 24.389 18.983 1.00 0.36 O ATOM 110 CB PHE A 9 42.990 22.341 21.480 1.00 0.23 C ATOM 111 CG PHE A 9 41.601 21.896 21.097 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.552 22.820 21.082 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.365 20.560 20.753 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.265 22.408 20.723 1.00 0.21 C ATOM 115 CE2 PHE A 9 40.077 20.149 20.394 1.00 0.19 C ATOM 116 CZ PHE A 9 39.028 21.074 20.379 1.00 0.20 C ATOM 0 H PHE A 9 45.482 22.481 21.383 1.00 0.27 H new ATOM 0 HA PHE A 9 43.556 22.180 19.406 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.542 21.509 21.917 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.937 23.122 22.239 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.735 23.851 21.347 1.00 0.20 H new ATOM 0 HD2 PHE A 9 42.176 19.847 20.765 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.454 23.121 20.711 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.893 19.118 20.129 1.00 0.19 H new ATOM 0 HZ PHE A 9 38.034 20.757 20.101 1.00 0.20 H new ATOM 126 N LEU A 10 43.638 25.269 20.541 1.00 0.21 N ATOM 127 CA LEU A 10 43.154 26.640 20.219 1.00 0.21 C ATOM 128 C LEU A 10 43.729 27.062 18.867 1.00 0.22 C ATOM 129 O LEU A 10 43.109 27.787 18.114 1.00 0.27 O ATOM 130 CB LEU A 10 43.623 27.623 21.294 1.00 0.24 C ATOM 131 CG LEU A 10 43.175 27.143 22.683 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.998 27.859 23.749 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.693 27.466 22.907 1.00 0.28 C ATOM 0 H LEU A 10 44.323 25.215 21.295 1.00 0.21 H new ATOM 0 HA LEU A 10 42.065 26.642 20.182 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.709 27.714 21.265 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.215 28.614 21.094 1.00 0.24 H new ATOM 0 HG LEU A 10 43.322 26.065 22.747 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.685 27.523 24.737 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.055 27.632 23.606 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.844 28.935 23.666 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.391 27.120 23.895 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.541 28.543 22.837 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.093 26.965 22.148 1.00 0.28 H new ATOM 145 N ASP A 11 44.913 26.610 18.553 1.00 0.21 N ATOM 146 CA ASP A 11 45.532 26.980 17.251 1.00 0.23 C ATOM 147 C ASP A 11 44.631 26.504 16.111 1.00 0.20 C ATOM 148 O ASP A 11 44.191 27.283 15.290 1.00 0.29 O ATOM 149 CB ASP A 11 46.904 26.314 17.130 1.00 0.27 C ATOM 150 CG ASP A 11 47.629 26.856 15.896 1.00 1.08 C ATOM 151 OD1 ASP A 11 48.277 27.882 16.018 1.00 1.92 O ATOM 152 OD2 ASP A 11 47.524 26.234 14.852 1.00 1.64 O ATOM 0 H ASP A 11 45.478 26.000 19.144 1.00 0.21 H new ATOM 0 HA ASP A 11 45.650 28.062 17.196 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.494 26.508 18.026 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.789 25.233 17.052 1.00 0.27 H new ATOM 157 N TYR A 12 44.351 25.229 16.053 1.00 0.14 N ATOM 158 CA TYR A 12 43.478 24.709 14.966 1.00 0.12 C ATOM 159 C TYR A 12 42.229 25.584 14.855 1.00 0.11 C ATOM 160 O TYR A 12 41.870 26.046 13.790 1.00 0.15 O ATOM 161 CB TYR A 12 43.070 23.263 15.284 1.00 0.12 C ATOM 162 CG TYR A 12 44.281 22.355 15.178 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.945 22.209 13.953 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.740 21.659 16.304 1.00 0.20 C ATOM 165 CE1 TYR A 12 46.063 21.373 13.855 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.858 20.823 16.206 1.00 0.27 C ATOM 167 CZ TYR A 12 46.520 20.680 14.981 1.00 0.30 C ATOM 168 OH TYR A 12 47.623 19.856 14.885 1.00 0.37 O ATOM 0 H TYR A 12 44.690 24.528 16.712 1.00 0.14 H new ATOM 0 HA TYR A 12 44.020 24.731 14.021 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.648 23.206 16.287 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.295 22.933 14.593 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.593 22.743 13.082 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.230 21.768 17.250 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.573 21.263 12.910 1.00 0.28 H new ATOM 0 HE2 TYR A 12 46.210 20.288 17.076 1.00 0.27 H new ATOM 0 HH TYR A 12 47.807 19.452 15.759 1.00 0.37 H new ATOM 178 N CYS A 13 41.570 25.816 15.951 1.00 0.12 N ATOM 179 CA CYS A 13 40.348 26.662 15.931 1.00 0.15 C ATOM 180 C CYS A 13 40.653 27.979 15.219 1.00 0.16 C ATOM 181 O CYS A 13 39.889 28.444 14.396 1.00 0.19 O ATOM 182 CB CYS A 13 39.914 26.949 17.368 1.00 0.19 C ATOM 183 SG CYS A 13 39.262 25.436 18.116 1.00 1.38 S ATOM 0 H CYS A 13 41.827 25.453 16.869 1.00 0.12 H new ATOM 0 HA CYS A 13 39.549 26.142 15.403 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.760 27.318 17.948 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.154 27.730 17.380 1.00 0.19 H new ATOM 0 HG CYS A 13 38.159 25.097 17.518 1.00 1.38 H new ATOM 189 N GLN A 14 41.765 28.585 15.530 1.00 0.17 N ATOM 190 CA GLN A 14 42.124 29.874 14.874 1.00 0.21 C ATOM 191 C GLN A 14 41.925 29.751 13.362 1.00 0.21 C ATOM 192 O GLN A 14 41.380 30.630 12.725 1.00 0.28 O ATOM 193 CB GLN A 14 43.587 30.206 15.171 1.00 0.25 C ATOM 194 CG GLN A 14 43.867 31.657 14.778 1.00 0.64 C ATOM 195 CD GLN A 14 45.347 31.971 14.998 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.208 31.319 14.441 1.00 1.68 O ATOM 197 NE2 GLN A 14 45.682 32.949 15.794 1.00 1.31 N ATOM 0 H GLN A 14 42.442 28.243 16.212 1.00 0.17 H new ATOM 0 HA GLN A 14 41.485 30.668 15.260 1.00 0.21 H new ATOM 0 HB2 GLN A 14 43.798 30.057 16.230 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.244 29.534 14.618 1.00 0.25 H new ATOM 0 HG2 GLN A 14 43.602 31.819 13.733 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.250 32.331 15.372 1.00 0.64 H new ATOM 0 HE21 GLN A 14 44.959 33.496 16.262 1.00 1.31 H new ATOM 0 HE22 GLN A 14 46.667 33.166 15.949 1.00 1.31 H new ATOM 206 N LYS A 15 42.356 28.663 12.782 1.00 0.20 N ATOM 207 CA LYS A 15 42.184 28.489 11.314 1.00 0.22 C ATOM 208 C LYS A 15 40.697 28.580 10.969 1.00 0.19 C ATOM 209 O LYS A 15 40.276 29.414 10.193 1.00 0.22 O ATOM 210 CB LYS A 15 42.718 27.120 10.899 1.00 0.25 C ATOM 211 CG LYS A 15 44.223 27.050 11.178 1.00 0.57 C ATOM 212 CD LYS A 15 44.847 25.901 10.378 1.00 1.16 C ATOM 213 CE LYS A 15 46.196 25.525 10.986 1.00 1.52 C ATOM 214 NZ LYS A 15 47.119 26.693 10.915 1.00 2.24 N ATOM 0 H LYS A 15 42.818 27.890 13.261 1.00 0.20 H new ATOM 0 HA LYS A 15 42.733 29.268 10.785 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.199 26.334 11.448 1.00 0.25 H new ATOM 0 HB3 LYS A 15 42.526 26.949 9.840 1.00 0.25 H new ATOM 0 HG2 LYS A 15 44.697 27.993 10.907 1.00 0.57 H new ATOM 0 HG3 LYS A 15 44.398 26.900 12.243 1.00 0.57 H new ATOM 0 HD2 LYS A 15 44.181 25.038 10.383 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.976 26.198 9.337 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.065 25.214 12.023 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.624 24.677 10.451 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 48.094 26.376 11.087 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.058 27.127 9.972 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.850 27.392 11.636 1.00 2.24 H new ATOM 228 N LEU A 16 39.897 27.728 11.549 1.00 0.15 N ATOM 229 CA LEU A 16 38.433 27.759 11.270 1.00 0.13 C ATOM 230 C LEU A 16 37.931 29.206 11.368 1.00 0.13 C ATOM 231 O LEU A 16 37.014 29.608 10.682 1.00 0.17 O ATOM 232 CB LEU A 16 37.708 26.887 12.321 1.00 0.11 C ATOM 233 CG LEU A 16 37.359 25.512 11.742 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.643 24.752 11.407 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.545 24.716 12.770 1.00 0.17 C ATOM 0 H LEU A 16 40.196 27.008 12.207 1.00 0.15 H new ATOM 0 HA LEU A 16 38.233 27.374 10.270 1.00 0.13 H new ATOM 0 HB2 LEU A 16 38.342 26.766 13.199 1.00 0.11 H new ATOM 0 HB3 LEU A 16 36.798 27.389 12.651 1.00 0.11 H new ATOM 0 HG LEU A 16 36.771 25.642 10.834 1.00 0.14 H new ATOM 0 HD11 LEU A 16 38.391 23.775 10.996 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.219 25.317 10.674 1.00 0.26 H new ATOM 0 HD13 LEU A 16 39.236 24.622 12.312 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.296 23.738 12.359 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.132 24.589 13.679 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.627 25.255 13.004 1.00 0.17 H new ATOM 247 N LEU A 17 38.514 29.979 12.236 1.00 0.12 N ATOM 248 CA LEU A 17 38.063 31.388 12.405 1.00 0.13 C ATOM 249 C LEU A 17 38.656 32.263 11.291 1.00 0.15 C ATOM 250 O LEU A 17 37.998 33.139 10.766 1.00 0.22 O ATOM 251 CB LEU A 17 38.523 31.880 13.795 1.00 0.12 C ATOM 252 CG LEU A 17 37.428 32.728 14.475 1.00 0.12 C ATOM 253 CD1 LEU A 17 36.356 31.814 15.093 1.00 0.12 C ATOM 254 CD2 LEU A 17 38.057 33.592 15.585 1.00 0.13 C ATOM 0 H LEU A 17 39.287 29.696 12.839 1.00 0.12 H new ATOM 0 HA LEU A 17 36.977 31.452 12.338 1.00 0.13 H new ATOM 0 HB2 LEU A 17 38.768 31.024 14.424 1.00 0.12 H new ATOM 0 HB3 LEU A 17 39.433 32.471 13.692 1.00 0.12 H new ATOM 0 HG LEU A 17 36.965 33.369 13.725 1.00 0.12 H new ATOM 0 HD11 LEU A 17 35.589 32.424 15.570 1.00 0.12 H new ATOM 0 HD12 LEU A 17 35.902 31.206 14.311 1.00 0.12 H new ATOM 0 HD13 LEU A 17 36.817 31.164 15.837 1.00 0.12 H new ATOM 0 HD21 LEU A 17 37.282 34.190 16.064 1.00 0.13 H new ATOM 0 HD22 LEU A 17 38.527 32.946 16.327 1.00 0.13 H new ATOM 0 HD23 LEU A 17 38.808 34.252 15.151 1.00 0.13 H new ATOM 266 N GLU A 18 39.889 32.041 10.933 1.00 0.20 N ATOM 267 CA GLU A 18 40.510 32.871 9.863 1.00 0.25 C ATOM 268 C GLU A 18 40.015 32.407 8.482 1.00 0.21 C ATOM 269 O GLU A 18 39.982 33.172 7.539 1.00 0.25 O ATOM 270 CB GLU A 18 42.049 32.765 9.964 1.00 0.32 C ATOM 271 CG GLU A 18 42.584 31.602 9.111 1.00 1.41 C ATOM 272 CD GLU A 18 43.985 31.207 9.589 1.00 2.13 C ATOM 273 OE1 GLU A 18 44.564 31.963 10.352 1.00 2.62 O ATOM 274 OE2 GLU A 18 44.453 30.156 9.184 1.00 2.77 O ATOM 0 H GLU A 18 40.493 31.323 11.333 1.00 0.20 H new ATOM 0 HA GLU A 18 40.221 33.914 9.991 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.503 33.700 9.635 1.00 0.32 H new ATOM 0 HB3 GLU A 18 42.339 32.619 11.005 1.00 0.32 H new ATOM 0 HG2 GLU A 18 41.911 30.747 9.183 1.00 1.41 H new ATOM 0 HG3 GLU A 18 42.617 31.894 8.061 1.00 1.41 H new ATOM 281 N LYS A 19 39.639 31.160 8.352 1.00 0.20 N ATOM 282 CA LYS A 19 39.163 30.661 7.035 1.00 0.20 C ATOM 283 C LYS A 19 37.701 31.079 6.832 1.00 0.18 C ATOM 284 O LYS A 19 37.352 31.678 5.834 1.00 0.24 O ATOM 285 CB LYS A 19 39.295 29.124 7.020 1.00 0.22 C ATOM 286 CG LYS A 19 40.577 28.713 6.283 1.00 0.30 C ATOM 287 CD LYS A 19 40.946 27.271 6.641 1.00 0.37 C ATOM 288 CE LYS A 19 39.789 26.324 6.290 1.00 0.92 C ATOM 289 NZ LYS A 19 38.819 26.286 7.421 1.00 1.77 N ATOM 0 H LYS A 19 39.643 30.469 9.103 1.00 0.20 H new ATOM 0 HA LYS A 19 39.758 31.083 6.226 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.315 28.743 8.041 1.00 0.22 H new ATOM 0 HB3 LYS A 19 38.427 28.681 6.531 1.00 0.22 H new ATOM 0 HG2 LYS A 19 40.433 28.804 5.206 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.393 29.384 6.553 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.845 26.974 6.102 1.00 0.37 H new ATOM 0 HD3 LYS A 19 41.174 27.200 7.705 1.00 0.37 H new ATOM 0 HE2 LYS A 19 39.291 26.662 5.381 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.172 25.323 6.091 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 38.534 25.302 7.601 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.265 26.679 8.274 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 37.980 26.851 7.178 1.00 1.77 H new ATOM 303 N PHE A 20 36.850 30.785 7.773 1.00 0.16 N ATOM 304 CA PHE A 20 35.430 31.185 7.632 1.00 0.16 C ATOM 305 C PHE A 20 35.326 32.677 7.947 1.00 0.19 C ATOM 306 O PHE A 20 34.264 33.265 7.918 1.00 0.30 O ATOM 307 CB PHE A 20 34.587 30.381 8.617 1.00 0.14 C ATOM 308 CG PHE A 20 34.489 28.945 8.151 1.00 0.13 C ATOM 309 CD1 PHE A 20 35.597 28.098 8.283 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.295 28.453 7.598 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.517 26.767 7.866 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.217 27.117 7.182 1.00 0.13 C ATOM 313 CZ PHE A 20 34.329 26.275 7.317 1.00 0.12 C ATOM 0 H PHE A 20 37.079 30.285 8.632 1.00 0.16 H new ATOM 0 HA PHE A 20 35.070 30.994 6.621 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.034 30.421 9.610 1.00 0.14 H new ATOM 0 HB3 PHE A 20 33.591 30.816 8.698 1.00 0.14 H new ATOM 0 HD1 PHE A 20 36.515 28.475 8.708 1.00 0.13 H new ATOM 0 HD2 PHE A 20 32.439 29.103 7.494 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.374 26.117 7.968 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.300 26.736 6.757 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.268 25.245 6.997 1.00 0.12 H new ATOM 323 N ARG A 21 36.444 33.289 8.238 1.00 0.18 N ATOM 324 CA ARG A 21 36.458 34.748 8.550 1.00 0.21 C ATOM 325 C ARG A 21 35.453 35.069 9.662 1.00 0.18 C ATOM 326 O ARG A 21 34.767 36.070 9.612 1.00 0.19 O ATOM 327 CB ARG A 21 36.093 35.545 7.291 1.00 0.29 C ATOM 328 CG ARG A 21 37.028 35.167 6.131 1.00 0.65 C ATOM 329 CD ARG A 21 38.383 35.867 6.290 1.00 1.12 C ATOM 330 NE ARG A 21 39.184 35.676 5.048 1.00 1.93 N ATOM 331 CZ ARG A 21 40.243 36.409 4.834 1.00 2.67 C ATOM 332 NH1 ARG A 21 40.603 37.304 5.712 1.00 2.95 N ATOM 333 NH2 ARG A 21 40.941 36.245 3.744 1.00 3.64 N ATOM 0 H ARG A 21 37.357 32.835 8.273 1.00 0.18 H new ATOM 0 HA ARG A 21 37.457 35.023 8.887 1.00 0.21 H new ATOM 0 HB2 ARG A 21 35.058 35.345 7.013 1.00 0.29 H new ATOM 0 HB3 ARG A 21 36.168 36.613 7.494 1.00 0.29 H new ATOM 0 HG2 ARG A 21 37.170 34.087 6.107 1.00 0.65 H new ATOM 0 HG3 ARG A 21 36.574 35.450 5.182 1.00 0.65 H new ATOM 0 HD2 ARG A 21 38.236 36.930 6.482 1.00 1.12 H new ATOM 0 HD3 ARG A 21 38.918 35.459 7.148 1.00 1.12 H new ATOM 0 HE ARG A 21 38.905 34.972 4.365 1.00 1.93 H new ATOM 0 HH11 ARG A 21 40.057 37.430 6.564 1.00 2.95 H new ATOM 0 HH12 ARG A 21 41.430 37.877 5.546 1.00 2.95 H new ATOM 0 HH21 ARG A 21 40.659 35.544 3.059 1.00 3.64 H new ATOM 0 HH22 ARG A 21 41.768 36.818 3.577 1.00 3.64 H new ATOM 347 N TYR A 22 35.361 34.243 10.673 1.00 0.15 N ATOM 348 CA TYR A 22 34.400 34.532 11.779 1.00 0.13 C ATOM 349 C TYR A 22 35.042 35.553 12.751 1.00 0.14 C ATOM 350 O TYR A 22 36.251 35.590 12.866 1.00 0.15 O ATOM 351 CB TYR A 22 34.107 33.233 12.553 1.00 0.11 C ATOM 352 CG TYR A 22 33.030 32.402 11.866 1.00 0.11 C ATOM 353 CD1 TYR A 22 31.761 32.946 11.586 1.00 0.12 C ATOM 354 CD2 TYR A 22 33.302 31.070 11.516 1.00 0.11 C ATOM 355 CE1 TYR A 22 30.785 32.161 10.961 1.00 0.13 C ATOM 356 CE2 TYR A 22 32.322 30.290 10.893 1.00 0.12 C ATOM 357 CZ TYR A 22 31.065 30.836 10.615 1.00 0.13 C ATOM 358 OH TYR A 22 30.101 30.066 10.002 1.00 0.15 O ATOM 0 H TYR A 22 35.906 33.387 10.780 1.00 0.15 H new ATOM 0 HA TYR A 22 33.476 34.934 11.364 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.021 32.646 12.639 1.00 0.11 H new ATOM 0 HB3 TYR A 22 33.788 33.477 13.567 1.00 0.11 H new ATOM 0 HD1 TYR A 22 31.541 33.969 11.854 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.272 30.646 11.729 1.00 0.11 H new ATOM 0 HE1 TYR A 22 29.813 32.580 10.746 1.00 0.13 H new ATOM 0 HE2 TYR A 22 32.536 29.266 10.627 1.00 0.12 H new ATOM 0 HH TYR A 22 30.001 30.349 9.069 1.00 0.15 H new ATOM 368 N PRO A 23 34.231 36.333 13.451 1.00 0.14 N ATOM 369 CA PRO A 23 34.757 37.309 14.428 1.00 0.16 C ATOM 370 C PRO A 23 35.575 36.578 15.507 1.00 0.16 C ATOM 371 O PRO A 23 35.682 35.368 15.511 1.00 0.15 O ATOM 372 CB PRO A 23 33.509 37.993 15.033 1.00 0.17 C ATOM 373 CG PRO A 23 32.258 37.325 14.395 1.00 0.15 C ATOM 374 CD PRO A 23 32.757 36.322 13.330 1.00 0.14 C ATOM 0 HA PRO A 23 35.424 38.041 13.972 1.00 0.16 H new ATOM 0 HB2 PRO A 23 33.495 37.877 16.117 1.00 0.17 H new ATOM 0 HB3 PRO A 23 33.520 39.063 14.827 1.00 0.17 H new ATOM 0 HG2 PRO A 23 31.667 36.814 15.155 1.00 0.15 H new ATOM 0 HG3 PRO A 23 31.612 38.076 13.941 1.00 0.15 H new ATOM 0 HD2 PRO A 23 32.354 35.325 13.508 1.00 0.14 H new ATOM 0 HD3 PRO A 23 32.441 36.619 12.330 1.00 0.14 H new ATOM 382 N TRP A 24 36.163 37.316 16.408 1.00 0.18 N ATOM 383 CA TRP A 24 36.994 36.689 17.480 1.00 0.19 C ATOM 384 C TRP A 24 36.119 36.123 18.615 1.00 0.19 C ATOM 385 O TRP A 24 36.599 35.393 19.460 1.00 0.21 O ATOM 386 CB TRP A 24 37.945 37.745 18.056 1.00 0.21 C ATOM 387 CG TRP A 24 38.709 37.164 19.205 1.00 0.28 C ATOM 388 CD1 TRP A 24 38.605 37.572 20.490 1.00 0.34 C ATOM 389 CD2 TRP A 24 39.685 36.082 19.196 1.00 0.33 C ATOM 390 NE1 TRP A 24 39.454 36.809 21.272 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.142 35.877 20.520 1.00 0.42 C ATOM 392 CE3 TRP A 24 40.213 35.266 18.179 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.089 34.898 20.824 1.00 0.50 C ATOM 394 CZ3 TRP A 24 41.166 34.279 18.482 1.00 0.45 C ATOM 395 CH2 TRP A 24 41.603 34.096 19.802 1.00 0.52 C ATOM 0 H TRP A 24 36.104 38.333 16.450 1.00 0.18 H new ATOM 0 HA TRP A 24 37.555 35.864 17.040 1.00 0.19 H new ATOM 0 HB2 TRP A 24 38.635 38.087 17.284 1.00 0.21 H new ATOM 0 HB3 TRP A 24 37.379 38.616 18.386 1.00 0.21 H new ATOM 0 HD1 TRP A 24 37.964 38.364 20.848 1.00 0.34 H new ATOM 0 HE1 TRP A 24 39.559 36.921 22.280 1.00 0.42 H new ATOM 0 HE3 TRP A 24 39.884 35.399 17.159 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.422 34.761 21.842 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 41.564 33.658 17.694 1.00 0.45 H new ATOM 0 HH2 TRP A 24 42.336 33.336 20.028 1.00 0.52 H new ATOM 406 N GLU A 25 34.861 36.474 18.676 1.00 0.18 N ATOM 407 CA GLU A 25 34.001 35.972 19.799 1.00 0.21 C ATOM 408 C GLU A 25 33.430 34.571 19.507 1.00 0.17 C ATOM 409 O GLU A 25 32.920 33.919 20.397 1.00 0.20 O ATOM 410 CB GLU A 25 32.846 36.962 20.031 1.00 0.29 C ATOM 411 CG GLU A 25 32.376 37.528 18.689 1.00 1.15 C ATOM 412 CD GLU A 25 30.993 38.166 18.854 1.00 1.55 C ATOM 413 OE1 GLU A 25 30.093 37.473 19.299 1.00 2.18 O ATOM 414 OE2 GLU A 25 30.859 39.335 18.531 1.00 1.97 O ATOM 0 H GLU A 25 34.391 37.081 18.005 1.00 0.18 H new ATOM 0 HA GLU A 25 34.622 35.894 20.691 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.020 36.460 20.535 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.173 37.771 20.684 1.00 0.29 H new ATOM 0 HG2 GLU A 25 33.088 38.269 18.326 1.00 1.15 H new ATOM 0 HG3 GLU A 25 32.334 36.734 17.943 1.00 1.15 H new ATOM 421 N LEU A 26 33.486 34.095 18.290 1.00 0.13 N ATOM 422 CA LEU A 26 32.913 32.736 18.005 1.00 0.11 C ATOM 423 C LEU A 26 33.953 31.642 18.247 1.00 0.10 C ATOM 424 O LEU A 26 33.908 30.594 17.637 1.00 0.11 O ATOM 425 CB LEU A 26 32.439 32.652 16.555 1.00 0.10 C ATOM 426 CG LEU A 26 31.571 33.863 16.204 1.00 0.10 C ATOM 427 CD1 LEU A 26 30.873 33.601 14.871 1.00 0.11 C ATOM 428 CD2 LEU A 26 30.511 34.099 17.291 1.00 0.12 C ATOM 0 H LEU A 26 33.896 34.576 17.489 1.00 0.13 H new ATOM 0 HA LEU A 26 32.070 32.586 18.679 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.299 32.608 15.887 1.00 0.10 H new ATOM 0 HB3 LEU A 26 31.871 31.734 16.404 1.00 0.10 H new ATOM 0 HG LEU A 26 32.205 34.747 16.134 1.00 0.10 H new ATOM 0 HD11 LEU A 26 30.252 34.458 14.611 1.00 0.11 H new ATOM 0 HD12 LEU A 26 31.621 33.446 14.093 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.248 32.712 14.956 1.00 0.11 H new ATOM 0 HD21 LEU A 26 29.903 34.964 17.025 1.00 0.12 H new ATOM 0 HD22 LEU A 26 29.873 33.219 17.374 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.004 34.282 18.246 1.00 0.12 H new ATOM 440 N MET A 27 34.879 31.856 19.137 1.00 0.12 N ATOM 441 CA MET A 27 35.889 30.804 19.403 1.00 0.13 C ATOM 442 C MET A 27 35.253 29.604 20.158 1.00 0.11 C ATOM 443 O MET A 27 35.627 28.479 19.894 1.00 0.13 O ATOM 444 CB MET A 27 37.062 31.403 20.214 1.00 0.18 C ATOM 445 CG MET A 27 38.150 31.919 19.264 1.00 0.19 C ATOM 446 SD MET A 27 39.032 30.515 18.542 1.00 1.17 S ATOM 447 CE MET A 27 40.267 30.337 19.850 1.00 0.31 C ATOM 0 H MET A 27 34.978 32.709 19.687 1.00 0.12 H new ATOM 0 HA MET A 27 36.269 30.432 18.452 1.00 0.13 H new ATOM 0 HB2 MET A 27 36.701 32.217 20.843 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.478 30.647 20.879 1.00 0.18 H new ATOM 0 HG2 MET A 27 37.703 32.526 18.477 1.00 0.19 H new ATOM 0 HG3 MET A 27 38.846 32.561 19.804 1.00 0.19 H new ATOM 0 HE1 MET A 27 40.935 29.510 19.610 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.845 31.258 19.933 1.00 0.31 H new ATOM 0 HE3 MET A 27 39.767 30.136 20.798 1.00 0.31 H new ATOM 457 N PRO A 28 34.325 29.844 21.079 1.00 0.10 N ATOM 458 CA PRO A 28 33.697 28.735 21.833 1.00 0.09 C ATOM 459 C PRO A 28 33.007 27.736 20.892 1.00 0.10 C ATOM 460 O PRO A 28 32.870 26.576 21.213 1.00 0.19 O ATOM 461 CB PRO A 28 32.686 29.424 22.775 1.00 0.09 C ATOM 462 CG PRO A 28 33.001 30.942 22.734 1.00 0.11 C ATOM 463 CD PRO A 28 33.829 31.187 21.461 1.00 0.11 C ATOM 0 HA PRO A 28 34.430 28.147 22.385 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.663 29.232 22.451 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.777 29.037 23.790 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.082 31.528 22.717 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.556 31.246 23.621 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.221 31.626 20.670 1.00 0.11 H new ATOM 0 HD3 PRO A 28 34.652 31.876 21.649 1.00 0.11 H new ATOM 471 N LEU A 29 32.572 28.161 19.739 1.00 0.11 N ATOM 472 CA LEU A 29 31.904 27.202 18.809 1.00 0.09 C ATOM 473 C LEU A 29 32.976 26.481 18.002 1.00 0.10 C ATOM 474 O LEU A 29 33.008 25.268 17.941 1.00 0.19 O ATOM 475 CB LEU A 29 30.947 27.953 17.878 1.00 0.08 C ATOM 476 CG LEU A 29 29.973 28.799 18.711 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.233 29.775 17.794 1.00 0.09 C ATOM 478 CD2 LEU A 29 28.954 27.886 19.405 1.00 0.08 C ATOM 0 H LEU A 29 32.648 29.120 19.401 1.00 0.11 H new ATOM 0 HA LEU A 29 31.323 26.475 19.377 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.511 28.593 17.200 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.393 27.245 17.261 1.00 0.08 H new ATOM 0 HG LEU A 29 30.534 29.354 19.463 1.00 0.08 H new ATOM 0 HD11 LEU A 29 28.541 30.376 18.385 1.00 0.09 H new ATOM 0 HD12 LEU A 29 29.953 30.429 17.302 1.00 0.09 H new ATOM 0 HD13 LEU A 29 28.677 29.216 17.041 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.265 28.491 19.995 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.395 27.328 18.654 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.477 27.189 20.060 1.00 0.08 H new ATOM 490 N MET A 30 33.879 27.207 17.409 1.00 0.10 N ATOM 491 CA MET A 30 34.965 26.540 16.647 1.00 0.12 C ATOM 492 C MET A 30 35.663 25.570 17.601 1.00 0.10 C ATOM 493 O MET A 30 36.313 24.626 17.197 1.00 0.11 O ATOM 494 CB MET A 30 35.961 27.596 16.159 1.00 0.16 C ATOM 495 CG MET A 30 35.430 28.256 14.887 1.00 0.19 C ATOM 496 SD MET A 30 33.987 29.275 15.289 1.00 1.16 S ATOM 497 CE MET A 30 32.934 28.764 13.907 1.00 0.20 C ATOM 0 H MET A 30 33.912 28.226 17.419 1.00 0.10 H new ATOM 0 HA MET A 30 34.568 26.007 15.783 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.117 28.348 16.933 1.00 0.16 H new ATOM 0 HB3 MET A 30 36.929 27.134 15.964 1.00 0.16 H new ATOM 0 HG2 MET A 30 36.207 28.871 14.433 1.00 0.19 H new ATOM 0 HG3 MET A 30 35.158 27.494 14.156 1.00 0.19 H new ATOM 0 HE1 MET A 30 32.186 29.533 13.716 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.546 28.624 13.016 1.00 0.20 H new ATOM 0 HE3 MET A 30 32.436 27.827 14.156 1.00 0.20 H new ATOM 507 N TYR A 31 35.512 25.811 18.874 1.00 0.09 N ATOM 508 CA TYR A 31 36.137 24.933 19.901 1.00 0.09 C ATOM 509 C TYR A 31 35.347 23.625 19.994 1.00 0.09 C ATOM 510 O TYR A 31 35.901 22.547 19.913 1.00 0.10 O ATOM 511 CB TYR A 31 36.103 25.662 21.252 1.00 0.09 C ATOM 512 CG TYR A 31 36.463 24.720 22.377 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.799 24.567 22.761 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.457 24.008 23.040 1.00 0.10 C ATOM 515 CE1 TYR A 31 38.131 23.699 23.806 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.788 23.141 24.087 1.00 0.11 C ATOM 517 CZ TYR A 31 37.126 22.985 24.470 1.00 0.12 C ATOM 518 OH TYR A 31 37.453 22.131 25.503 1.00 0.14 O ATOM 0 H TYR A 31 34.974 26.591 19.251 1.00 0.09 H new ATOM 0 HA TYR A 31 37.169 24.707 19.631 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.800 26.500 21.236 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.109 26.077 21.422 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.574 25.119 22.251 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.425 24.128 22.744 1.00 0.10 H new ATOM 0 HE1 TYR A 31 39.163 23.579 24.101 1.00 0.12 H new ATOM 0 HE2 TYR A 31 35.012 22.592 24.600 1.00 0.11 H new ATOM 0 HH TYR A 31 36.638 21.716 25.855 1.00 0.14 H new ATOM 528 N VAL A 32 34.057 23.713 20.166 1.00 0.09 N ATOM 529 CA VAL A 32 33.235 22.476 20.265 1.00 0.09 C ATOM 530 C VAL A 32 33.302 21.710 18.940 1.00 0.09 C ATOM 531 O VAL A 32 33.533 20.518 18.915 1.00 0.12 O ATOM 532 CB VAL A 32 31.783 22.848 20.581 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.923 21.583 20.557 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.704 23.501 21.972 1.00 0.12 C ATOM 0 H VAL A 32 33.538 24.588 20.242 1.00 0.09 H new ATOM 0 HA VAL A 32 33.623 21.844 21.064 1.00 0.09 H new ATOM 0 HB VAL A 32 31.417 23.554 19.835 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.888 21.842 20.781 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.976 21.125 19.569 1.00 0.09 H new ATOM 0 HG13 VAL A 32 31.291 20.879 21.303 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.669 23.764 22.192 1.00 0.12 H new ATOM 0 HG22 VAL A 32 32.069 22.801 22.724 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.318 24.401 21.987 1.00 0.12 H new ATOM 544 N ILE A 33 33.110 22.382 17.836 1.00 0.09 N ATOM 545 CA ILE A 33 33.176 21.685 16.520 1.00 0.09 C ATOM 546 C ILE A 33 34.452 20.824 16.475 1.00 0.10 C ATOM 547 O ILE A 33 34.385 19.612 16.443 1.00 0.11 O ATOM 548 CB ILE A 33 33.154 22.748 15.405 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.793 23.458 15.461 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.330 22.102 14.025 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.762 24.652 14.501 1.00 0.09 C ATOM 0 H ILE A 33 32.911 23.381 17.789 1.00 0.09 H new ATOM 0 HA ILE A 33 32.323 21.022 16.376 1.00 0.09 H new ATOM 0 HB ILE A 33 33.974 23.451 15.556 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.001 22.756 15.201 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.597 23.798 16.478 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.311 22.875 13.256 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.285 21.577 13.988 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.520 21.394 13.849 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.789 25.139 14.558 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.540 25.363 14.779 1.00 0.09 H new ATOM 0 HD13 ILE A 33 31.935 24.305 13.482 1.00 0.09 H new ATOM 563 N LEU A 34 35.610 21.428 16.497 1.00 0.10 N ATOM 564 CA LEU A 34 36.869 20.623 16.481 1.00 0.11 C ATOM 565 C LEU A 34 36.793 19.560 17.591 1.00 0.13 C ATOM 566 O LEU A 34 37.214 18.437 17.412 1.00 0.20 O ATOM 567 CB LEU A 34 38.067 21.584 16.734 1.00 0.09 C ATOM 568 CG LEU A 34 38.919 21.910 15.454 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.138 21.743 14.133 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.419 23.359 15.552 1.00 0.10 C ATOM 0 H LEU A 34 35.740 22.439 16.525 1.00 0.10 H new ATOM 0 HA LEU A 34 37.000 20.124 15.521 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.687 22.517 17.150 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.719 21.142 17.487 1.00 0.09 H new ATOM 0 HG LEU A 34 39.742 21.195 15.429 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.789 21.985 13.293 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.794 20.713 14.041 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.279 22.414 14.131 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.012 23.600 14.670 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.566 24.035 15.611 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.034 23.472 16.445 1.00 0.10 H new ATOM 582 N LYS A 35 36.269 19.902 18.733 1.00 0.12 N ATOM 583 CA LYS A 35 36.187 18.902 19.838 1.00 0.15 C ATOM 584 C LYS A 35 35.384 17.682 19.379 1.00 0.21 C ATOM 585 O LYS A 35 35.653 16.566 19.779 1.00 0.29 O ATOM 586 CB LYS A 35 35.504 19.535 21.053 1.00 0.13 C ATOM 587 CG LYS A 35 35.754 18.669 22.291 1.00 0.17 C ATOM 588 CD LYS A 35 34.804 19.091 23.417 1.00 0.26 C ATOM 589 CE LYS A 35 34.919 18.103 24.579 1.00 0.80 C ATOM 590 NZ LYS A 35 34.225 16.834 24.223 1.00 1.49 N ATOM 0 H LYS A 35 35.895 20.825 18.951 1.00 0.12 H new ATOM 0 HA LYS A 35 37.195 18.587 20.109 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.890 20.541 21.217 1.00 0.13 H new ATOM 0 HB3 LYS A 35 34.433 19.629 20.873 1.00 0.13 H new ATOM 0 HG2 LYS A 35 35.601 17.617 22.048 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.789 18.774 22.617 1.00 0.17 H new ATOM 0 HD2 LYS A 35 35.049 20.098 23.756 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.778 19.119 23.050 1.00 0.26 H new ATOM 0 HE2 LYS A 35 35.968 17.906 24.801 1.00 0.80 H new ATOM 0 HE3 LYS A 35 34.478 18.531 25.479 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 34.049 16.281 25.086 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 33.319 17.052 23.760 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 34.822 16.282 23.574 1.00 1.49 H new ATOM 604 N ASP A 36 34.397 17.881 18.547 1.00 0.24 N ATOM 605 CA ASP A 36 33.576 16.729 18.071 1.00 0.32 C ATOM 606 C ASP A 36 34.222 16.101 16.834 1.00 0.26 C ATOM 607 O ASP A 36 34.254 14.896 16.681 1.00 0.36 O ATOM 608 CB ASP A 36 32.174 17.222 17.713 1.00 0.42 C ATOM 609 CG ASP A 36 31.449 17.674 18.981 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.044 16.814 19.747 1.00 1.56 O ATOM 611 OD2 ASP A 36 31.308 18.872 19.165 1.00 1.42 O ATOM 0 H ASP A 36 34.123 18.791 18.176 1.00 0.24 H new ATOM 0 HA ASP A 36 33.516 15.981 18.862 1.00 0.32 H new ATOM 0 HB2 ASP A 36 32.238 18.048 17.005 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.612 16.426 17.225 1.00 0.42 H new ATOM 616 N ALA A 37 34.725 16.909 15.942 1.00 0.18 N ATOM 617 CA ALA A 37 35.355 16.363 14.706 1.00 0.17 C ATOM 618 C ALA A 37 36.754 15.835 15.013 1.00 0.16 C ATOM 619 O ALA A 37 37.649 15.932 14.198 1.00 0.21 O ATOM 620 CB ALA A 37 35.472 17.480 13.671 1.00 0.19 C ATOM 0 H ALA A 37 34.727 17.926 16.016 1.00 0.18 H new ATOM 0 HA ALA A 37 34.738 15.550 14.325 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.932 17.089 12.764 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.479 17.865 13.438 1.00 0.19 H new ATOM 0 HB3 ALA A 37 36.088 18.285 14.072 1.00 0.19 H new ATOM 626 N ASP A 38 36.965 15.293 16.175 1.00 0.18 N ATOM 627 CA ASP A 38 38.324 14.788 16.497 1.00 0.20 C ATOM 628 C ASP A 38 39.319 15.929 16.275 1.00 0.18 C ATOM 629 O ASP A 38 40.511 15.727 16.164 1.00 0.22 O ATOM 630 CB ASP A 38 38.659 13.611 15.573 1.00 0.25 C ATOM 631 CG ASP A 38 39.765 12.756 16.199 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.439 11.876 16.978 1.00 1.82 O ATOM 633 OD2 ASP A 38 40.920 12.998 15.888 1.00 1.65 O ATOM 0 H ASP A 38 36.265 15.178 16.908 1.00 0.18 H new ATOM 0 HA ASP A 38 38.374 14.447 17.531 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.769 13.004 15.405 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.980 13.981 14.600 1.00 0.25 H new ATOM 638 N ALA A 39 38.809 17.125 16.199 1.00 0.14 N ATOM 639 CA ALA A 39 39.665 18.316 15.973 1.00 0.14 C ATOM 640 C ALA A 39 40.289 18.245 14.579 1.00 0.14 C ATOM 641 O ALA A 39 41.202 18.979 14.259 1.00 0.16 O ATOM 642 CB ALA A 39 40.760 18.386 17.036 1.00 0.16 C ATOM 0 H ALA A 39 37.813 17.329 16.286 1.00 0.14 H new ATOM 0 HA ALA A 39 39.052 19.214 16.044 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.382 19.264 16.860 1.00 0.16 H new ATOM 0 HB2 ALA A 39 40.304 18.456 18.024 1.00 0.16 H new ATOM 0 HB3 ALA A 39 41.376 17.488 16.983 1.00 0.16 H new ATOM 648 N ASN A 40 39.796 17.374 13.742 1.00 0.14 N ATOM 649 CA ASN A 40 40.355 17.269 12.366 1.00 0.16 C ATOM 650 C ASN A 40 39.757 18.381 11.507 1.00 0.14 C ATOM 651 O ASN A 40 38.660 18.266 10.998 1.00 0.15 O ATOM 652 CB ASN A 40 39.996 15.911 11.764 1.00 0.20 C ATOM 653 CG ASN A 40 40.779 15.703 10.466 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.357 16.725 9.897 1.00 1.77 O flip ATOM 655 ND2 ASN A 40 40.864 14.599 9.964 1.00 1.19 N flip ATOM 0 H ASN A 40 39.032 16.732 13.951 1.00 0.14 H new ATOM 0 HA ASN A 40 41.440 17.366 12.401 1.00 0.16 H new ATOM 0 HB2 ASN A 40 40.228 15.115 12.472 1.00 0.20 H new ATOM 0 HB3 ASN A 40 38.925 15.861 11.567 1.00 0.20 H new ATOM 0 HD21 ASN A 40 40.412 13.800 10.409 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.387 14.472 9.098 1.00 1.19 H new ATOM 662 N ILE A 41 40.467 19.460 11.352 1.00 0.13 N ATOM 663 CA ILE A 41 39.943 20.589 10.538 1.00 0.12 C ATOM 664 C ILE A 41 39.409 20.062 9.202 1.00 0.13 C ATOM 665 O ILE A 41 38.330 20.421 8.774 1.00 0.14 O ATOM 666 CB ILE A 41 41.071 21.606 10.317 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.331 22.321 11.655 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.663 22.617 9.229 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.415 23.386 11.499 1.00 0.16 C ATOM 0 H ILE A 41 41.392 19.610 11.756 1.00 0.13 H new ATOM 0 HA ILE A 41 39.121 21.079 11.059 1.00 0.12 H new ATOM 0 HB ILE A 41 41.979 21.105 9.982 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.410 22.783 12.011 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.635 21.594 12.408 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.469 23.335 9.079 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.469 22.089 8.296 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.762 23.144 9.542 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.582 23.878 12.457 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.341 22.917 11.166 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.097 24.124 10.763 1.00 0.16 H new ATOM 681 N GLU A 42 40.145 19.215 8.542 1.00 0.15 N ATOM 682 CA GLU A 42 39.664 18.677 7.241 1.00 0.16 C ATOM 683 C GLU A 42 38.245 18.137 7.409 1.00 0.16 C ATOM 684 O GLU A 42 37.441 18.195 6.504 1.00 0.19 O ATOM 685 CB GLU A 42 40.593 17.556 6.770 1.00 0.19 C ATOM 686 CG GLU A 42 42.009 18.109 6.593 1.00 0.26 C ATOM 687 CD GLU A 42 43.000 16.949 6.477 1.00 1.04 C ATOM 688 OE1 GLU A 42 43.236 16.295 7.480 1.00 1.67 O ATOM 689 OE2 GLU A 42 43.506 16.735 5.388 1.00 1.80 O ATOM 0 H GLU A 42 41.056 18.872 8.846 1.00 0.15 H new ATOM 0 HA GLU A 42 39.662 19.474 6.497 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.597 16.743 7.496 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.232 17.141 5.829 1.00 0.19 H new ATOM 0 HG2 GLU A 42 42.058 18.733 5.701 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.272 18.742 7.440 1.00 0.26 H new ATOM 696 N GLU A 43 37.919 17.625 8.563 1.00 0.15 N ATOM 697 CA GLU A 43 36.536 17.107 8.778 1.00 0.16 C ATOM 698 C GLU A 43 35.659 18.261 9.247 1.00 0.15 C ATOM 699 O GLU A 43 34.643 18.567 8.657 1.00 0.21 O ATOM 700 CB GLU A 43 36.539 16.020 9.853 1.00 0.18 C ATOM 701 CG GLU A 43 35.121 15.461 10.018 1.00 0.33 C ATOM 702 CD GLU A 43 35.176 14.122 10.758 1.00 1.21 C ATOM 703 OE1 GLU A 43 36.102 13.931 11.528 1.00 1.84 O ATOM 704 OE2 GLU A 43 34.290 13.311 10.541 1.00 1.95 O ATOM 0 H GLU A 43 38.546 17.542 9.364 1.00 0.15 H new ATOM 0 HA GLU A 43 36.157 16.685 7.847 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.226 15.221 9.575 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.892 16.430 10.799 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.503 16.168 10.572 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.656 15.329 9.041 1.00 0.33 H new ATOM 711 N ALA A 44 36.045 18.904 10.314 1.00 0.13 N ATOM 712 CA ALA A 44 35.232 20.038 10.830 1.00 0.14 C ATOM 713 C ALA A 44 35.009 21.075 9.726 1.00 0.16 C ATOM 714 O ALA A 44 33.903 21.527 9.510 1.00 0.20 O ATOM 715 CB ALA A 44 35.949 20.694 12.012 1.00 0.14 C ATOM 0 H ALA A 44 36.887 18.693 10.849 1.00 0.13 H new ATOM 0 HA ALA A 44 34.266 19.656 11.159 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.349 21.524 12.386 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.088 19.960 12.806 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.921 21.066 11.687 1.00 0.14 H new ATOM 721 N SER A 45 36.040 21.462 9.028 1.00 0.16 N ATOM 722 CA SER A 45 35.852 22.476 7.953 1.00 0.21 C ATOM 723 C SER A 45 34.833 21.949 6.945 1.00 0.20 C ATOM 724 O SER A 45 34.149 22.704 6.283 1.00 0.32 O ATOM 725 CB SER A 45 37.181 22.742 7.254 1.00 0.26 C ATOM 726 OG SER A 45 36.973 23.652 6.182 1.00 1.01 O ATOM 0 H SER A 45 36.995 21.125 9.153 1.00 0.16 H new ATOM 0 HA SER A 45 35.490 23.408 8.387 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.901 23.153 7.961 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.601 21.809 6.878 1.00 0.26 H new ATOM 0 HG SER A 45 36.467 24.427 6.504 1.00 1.01 H new ATOM 732 N ARG A 46 34.720 20.654 6.832 1.00 0.18 N ATOM 733 CA ARG A 46 33.739 20.069 5.877 1.00 0.20 C ATOM 734 C ARG A 46 32.356 20.077 6.545 1.00 0.16 C ATOM 735 O ARG A 46 31.337 20.122 5.885 1.00 0.22 O ATOM 736 CB ARG A 46 34.162 18.625 5.528 1.00 0.23 C ATOM 737 CG ARG A 46 35.017 18.603 4.245 1.00 0.85 C ATOM 738 CD ARG A 46 36.142 19.656 4.312 1.00 1.14 C ATOM 739 NE ARG A 46 35.687 20.898 3.626 1.00 1.59 N ATOM 740 CZ ARG A 46 36.367 22.003 3.758 1.00 2.17 C ATOM 741 NH1 ARG A 46 37.457 22.014 4.474 1.00 2.66 N ATOM 742 NH2 ARG A 46 35.960 23.095 3.169 1.00 2.87 N ATOM 0 H ARG A 46 35.267 19.975 7.362 1.00 0.18 H new ATOM 0 HA ARG A 46 33.704 20.650 4.956 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.728 18.196 6.355 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.277 18.004 5.392 1.00 0.23 H new ATOM 0 HG2 ARG A 46 35.450 17.612 4.109 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.384 18.796 3.379 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.395 19.871 5.350 1.00 1.14 H new ATOM 0 HD3 ARG A 46 37.045 19.273 3.837 1.00 1.14 H new ATOM 0 HE ARG A 46 34.843 20.884 3.053 1.00 1.59 H new ATOM 0 HH11 ARG A 46 37.776 21.159 4.930 1.00 2.66 H new ATOM 0 HH12 ARG A 46 37.990 22.877 4.578 1.00 2.66 H new ATOM 0 HH21 ARG A 46 35.110 23.084 2.605 1.00 2.87 H new ATOM 0 HH22 ARG A 46 36.492 23.959 3.273 1.00 2.87 H new ATOM 756 N ARG A 47 32.319 20.051 7.853 1.00 0.13 N ATOM 757 CA ARG A 47 31.007 20.075 8.564 1.00 0.13 C ATOM 758 C ARG A 47 30.412 21.476 8.448 1.00 0.11 C ATOM 759 O ARG A 47 29.342 21.672 7.906 1.00 0.13 O ATOM 760 CB ARG A 47 31.209 19.748 10.046 1.00 0.18 C ATOM 761 CG ARG A 47 31.697 18.305 10.210 1.00 0.49 C ATOM 762 CD ARG A 47 31.461 17.845 11.651 1.00 0.62 C ATOM 763 NE ARG A 47 32.270 18.677 12.585 1.00 0.81 N ATOM 764 CZ ARG A 47 31.998 18.678 13.858 1.00 1.20 C ATOM 765 NH1 ARG A 47 30.970 18.020 14.302 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.750 19.343 14.687 1.00 1.63 N ATOM 0 H ARG A 47 33.140 20.014 8.458 1.00 0.13 H new ATOM 0 HA ARG A 47 30.340 19.337 8.118 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.934 20.436 10.482 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.273 19.886 10.587 1.00 0.18 H new ATOM 0 HG2 ARG A 47 31.168 17.650 9.517 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.757 18.239 9.965 1.00 0.49 H new ATOM 0 HD2 ARG A 47 30.403 17.927 11.900 1.00 0.62 H new ATOM 0 HD3 ARG A 47 31.733 16.795 11.756 1.00 0.62 H new ATOM 0 HE ARG A 47 33.037 19.246 12.227 1.00 0.81 H new ATOM 0 HH11 ARG A 47 30.376 17.503 13.653 1.00 1.99 H new ATOM 0 HH12 ARG A 47 30.756 18.020 15.299 1.00 1.99 H new ATOM 0 HH21 ARG A 47 33.555 19.865 14.339 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.535 19.342 15.684 1.00 1.63 H new ATOM 780 N ILE A 48 31.110 22.455 8.954 1.00 0.10 N ATOM 781 CA ILE A 48 30.612 23.858 8.881 1.00 0.10 C ATOM 782 C ILE A 48 30.145 24.145 7.454 1.00 0.11 C ATOM 783 O ILE A 48 29.000 24.476 7.218 1.00 0.13 O ATOM 784 CB ILE A 48 31.744 24.810 9.264 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.356 24.349 10.590 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.187 26.223 9.426 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.388 25.372 11.063 1.00 0.10 C ATOM 0 H ILE A 48 32.011 22.342 9.419 1.00 0.10 H new ATOM 0 HA ILE A 48 29.778 23.999 9.568 1.00 0.10 H new ATOM 0 HB ILE A 48 32.506 24.809 8.485 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.575 24.232 11.341 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.827 23.374 10.465 1.00 0.09 H new ATOM 0 HG21 ILE A 48 31.994 26.903 9.699 1.00 0.11 H new ATOM 0 HG22 ILE A 48 30.741 26.548 8.486 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.428 26.227 10.208 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.822 25.041 12.007 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.175 25.467 10.315 1.00 0.10 H new ATOM 0 HD13 ILE A 48 32.904 26.338 11.205 1.00 0.10 H new ATOM 799 N GLU A 49 31.020 23.999 6.499 1.00 0.11 N ATOM 800 CA GLU A 49 30.626 24.237 5.080 1.00 0.12 C ATOM 801 C GLU A 49 29.341 23.468 4.800 1.00 0.12 C ATOM 802 O GLU A 49 28.315 24.036 4.485 1.00 0.13 O ATOM 803 CB GLU A 49 31.728 23.707 4.168 1.00 0.13 C ATOM 804 CG GLU A 49 32.871 24.728 4.071 1.00 0.15 C ATOM 805 CD GLU A 49 32.507 25.819 3.060 1.00 0.17 C ATOM 806 OE1 GLU A 49 31.332 25.954 2.761 1.00 1.08 O ATOM 807 OE2 GLU A 49 33.411 26.500 2.602 1.00 1.09 O ATOM 0 H GLU A 49 31.992 23.725 6.639 1.00 0.11 H new ATOM 0 HA GLU A 49 30.475 25.302 4.902 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.107 22.761 4.555 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.324 23.507 3.176 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.058 25.173 5.048 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.791 24.230 3.767 1.00 0.15 H new ATOM 814 N GLU A 50 29.388 22.171 4.945 1.00 0.12 N ATOM 815 CA GLU A 50 28.166 21.359 4.722 1.00 0.13 C ATOM 816 C GLU A 50 27.074 21.950 5.596 1.00 0.12 C ATOM 817 O GLU A 50 25.901 21.782 5.356 1.00 0.12 O ATOM 818 CB GLU A 50 28.426 19.906 5.124 1.00 0.14 C ATOM 819 CG GLU A 50 27.229 19.042 4.718 1.00 0.17 C ATOM 820 CD GLU A 50 27.414 17.625 5.262 1.00 1.15 C ATOM 821 OE1 GLU A 50 28.283 17.441 6.098 1.00 2.03 O ATOM 822 OE2 GLU A 50 26.683 16.747 4.834 1.00 1.74 O ATOM 0 H GLU A 50 30.220 21.643 5.208 1.00 0.12 H new ATOM 0 HA GLU A 50 27.875 21.373 3.672 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.332 19.541 4.641 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.589 19.839 6.200 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.307 19.474 5.106 1.00 0.17 H new ATOM 0 HG3 GLU A 50 27.137 19.017 3.632 1.00 0.17 H new ATOM 829 N GLY A 51 27.474 22.673 6.604 1.00 0.11 N ATOM 830 CA GLY A 51 26.476 23.320 7.504 1.00 0.10 C ATOM 831 C GLY A 51 25.957 24.577 6.810 1.00 0.10 C ATOM 832 O GLY A 51 24.775 24.735 6.579 1.00 0.11 O ATOM 0 H GLY A 51 28.450 22.845 6.845 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.655 22.636 7.716 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.934 23.574 8.460 1.00 0.10 H new ATOM 836 N GLN A 52 26.849 25.460 6.449 1.00 0.10 N ATOM 837 CA GLN A 52 26.442 26.706 5.735 1.00 0.12 C ATOM 838 C GLN A 52 25.504 26.328 4.597 1.00 0.12 C ATOM 839 O GLN A 52 24.467 26.928 4.396 1.00 0.13 O ATOM 840 CB GLN A 52 27.693 27.379 5.166 1.00 0.14 C ATOM 841 CG GLN A 52 28.674 27.673 6.305 1.00 0.19 C ATOM 842 CD GLN A 52 28.184 28.883 7.098 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.725 29.152 8.253 1.00 0.95 O flip ATOM 844 NE2 GLN A 52 27.299 29.592 6.662 1.00 0.39 N flip ATOM 0 H GLN A 52 27.851 25.371 6.619 1.00 0.10 H new ATOM 0 HA GLN A 52 25.938 27.390 6.417 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.162 26.732 4.425 1.00 0.14 H new ATOM 0 HB3 GLN A 52 27.422 28.304 4.656 1.00 0.14 H new ATOM 0 HG2 GLN A 52 28.759 26.806 6.960 1.00 0.19 H new ATOM 0 HG3 GLN A 52 29.668 27.867 5.902 1.00 0.19 H new ATOM 0 HE21 GLN A 52 26.876 29.382 5.758 1.00 0.39 H new ATOM 0 HE22 GLN A 52 26.979 30.398 7.200 1.00 0.39 H new ATOM 853 N TYR A 53 25.867 25.323 3.860 1.00 0.12 N ATOM 854 CA TYR A 53 25.005 24.876 2.731 1.00 0.13 C ATOM 855 C TYR A 53 23.636 24.442 3.285 1.00 0.13 C ATOM 856 O TYR A 53 22.606 24.759 2.724 1.00 0.15 O ATOM 857 CB TYR A 53 25.695 23.708 1.994 1.00 0.14 C ATOM 858 CG TYR A 53 24.688 22.911 1.189 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.856 22.000 1.840 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.586 23.081 -0.197 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.919 21.258 1.124 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.648 22.336 -0.924 1.00 0.19 C ATOM 863 CZ TYR A 53 22.812 21.424 -0.262 1.00 0.19 C ATOM 864 OH TYR A 53 21.891 20.687 -0.978 1.00 0.22 O ATOM 0 H TYR A 53 26.726 24.788 3.988 1.00 0.12 H new ATOM 0 HA TYR A 53 24.854 25.691 2.023 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.470 24.096 1.333 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.188 23.057 2.716 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.939 21.869 2.909 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.229 23.785 -0.705 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.277 20.557 1.637 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.569 22.464 -1.993 1.00 0.19 H new ATOM 0 HH TYR A 53 21.505 21.244 -1.686 1.00 0.22 H new ATOM 874 N VAL A 54 23.613 23.717 4.375 1.00 0.15 N ATOM 875 CA VAL A 54 22.301 23.272 4.939 1.00 0.14 C ATOM 876 C VAL A 54 21.444 24.502 5.253 1.00 0.14 C ATOM 877 O VAL A 54 20.380 24.693 4.699 1.00 0.15 O ATOM 878 CB VAL A 54 22.507 22.472 6.242 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.130 22.124 6.823 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.305 21.162 5.987 1.00 0.14 C ATOM 0 H VAL A 54 24.437 23.416 4.895 1.00 0.15 H new ATOM 0 HA VAL A 54 21.808 22.636 4.204 1.00 0.14 H new ATOM 0 HB VAL A 54 23.080 23.082 6.940 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.257 21.558 7.746 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.581 23.042 7.033 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.572 21.525 6.103 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.431 20.624 6.927 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.760 20.536 5.281 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.284 21.407 5.575 1.00 0.14 H new ATOM 890 N VAL A 55 21.903 25.327 6.152 1.00 0.15 N ATOM 891 CA VAL A 55 21.129 26.545 6.532 1.00 0.16 C ATOM 892 C VAL A 55 20.797 27.367 5.283 1.00 0.19 C ATOM 893 O VAL A 55 19.657 27.704 5.033 1.00 0.22 O ATOM 894 CB VAL A 55 21.975 27.400 7.488 1.00 0.19 C ATOM 895 CG1 VAL A 55 21.167 28.613 7.951 1.00 0.29 C ATOM 896 CG2 VAL A 55 22.376 26.566 8.708 1.00 0.13 C ATOM 0 H VAL A 55 22.788 25.210 6.645 1.00 0.15 H new ATOM 0 HA VAL A 55 20.202 26.244 7.019 1.00 0.16 H new ATOM 0 HB VAL A 55 22.870 27.737 6.965 1.00 0.19 H new ATOM 0 HG11 VAL A 55 21.772 29.216 8.629 1.00 0.29 H new ATOM 0 HG12 VAL A 55 20.884 29.213 7.086 1.00 0.29 H new ATOM 0 HG13 VAL A 55 20.269 28.276 8.469 1.00 0.29 H new ATOM 0 HG21 VAL A 55 22.976 27.175 9.384 1.00 0.13 H new ATOM 0 HG22 VAL A 55 21.480 26.225 9.226 1.00 0.13 H new ATOM 0 HG23 VAL A 55 22.958 25.704 8.384 1.00 0.13 H new ATOM 906 N ASN A 56 21.789 27.709 4.511 1.00 0.22 N ATOM 907 CA ASN A 56 21.544 28.530 3.289 1.00 0.27 C ATOM 908 C ASN A 56 20.563 27.821 2.350 1.00 0.26 C ATOM 909 O ASN A 56 19.701 28.441 1.759 1.00 0.33 O ATOM 910 CB ASN A 56 22.868 28.755 2.557 1.00 0.35 C ATOM 911 CG ASN A 56 22.625 29.620 1.318 1.00 0.71 C ATOM 912 OD1 ASN A 56 21.735 29.347 0.538 1.00 1.56 O ATOM 913 ND2 ASN A 56 23.384 30.659 1.103 1.00 0.90 N ATOM 0 H ASN A 56 22.764 27.455 4.673 1.00 0.22 H new ATOM 0 HA ASN A 56 21.114 29.485 3.590 1.00 0.27 H new ATOM 0 HB2 ASN A 56 23.584 29.242 3.219 1.00 0.35 H new ATOM 0 HB3 ASN A 56 23.302 27.798 2.266 1.00 0.35 H new ATOM 0 HD21 ASN A 56 23.230 31.242 0.280 1.00 0.90 H new ATOM 0 HD22 ASN A 56 24.132 30.889 1.758 1.00 0.90 H new ATOM 920 N GLU A 57 20.693 26.534 2.190 1.00 0.24 N ATOM 921 CA GLU A 57 19.773 25.804 1.271 1.00 0.26 C ATOM 922 C GLU A 57 18.415 25.578 1.940 1.00 0.25 C ATOM 923 O GLU A 57 17.386 25.601 1.294 1.00 0.32 O ATOM 924 CB GLU A 57 20.383 24.449 0.908 1.00 0.29 C ATOM 925 CG GLU A 57 19.607 23.837 -0.261 1.00 0.50 C ATOM 926 CD GLU A 57 19.960 22.355 -0.396 1.00 1.58 C ATOM 927 OE1 GLU A 57 20.280 21.746 0.612 1.00 2.37 O ATOM 928 OE2 GLU A 57 19.904 21.853 -1.507 1.00 2.31 O ATOM 0 H GLU A 57 21.394 25.956 2.654 1.00 0.24 H new ATOM 0 HA GLU A 57 19.631 26.403 0.372 1.00 0.26 H new ATOM 0 HB2 GLU A 57 21.432 24.571 0.638 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.351 23.781 1.769 1.00 0.29 H new ATOM 0 HG2 GLU A 57 18.535 23.952 -0.098 1.00 0.50 H new ATOM 0 HG3 GLU A 57 19.847 24.363 -1.185 1.00 0.50 H new ATOM 935 N TYR A 58 18.398 25.342 3.222 1.00 0.22 N ATOM 936 CA TYR A 58 17.100 25.096 3.911 1.00 0.26 C ATOM 937 C TYR A 58 16.104 26.206 3.598 1.00 0.32 C ATOM 938 O TYR A 58 15.022 25.963 3.100 1.00 0.46 O ATOM 939 CB TYR A 58 17.318 25.014 5.422 1.00 0.33 C ATOM 940 CG TYR A 58 15.970 24.997 6.112 1.00 0.77 C ATOM 941 CD1 TYR A 58 15.052 23.983 5.827 1.00 1.98 C ATOM 942 CD2 TYR A 58 15.637 25.999 7.017 1.00 0.82 C ATOM 943 CE1 TYR A 58 13.801 23.970 6.452 1.00 2.44 C ATOM 944 CE2 TYR A 58 14.387 25.991 7.643 1.00 0.99 C ATOM 945 CZ TYR A 58 13.467 24.976 7.361 1.00 1.71 C ATOM 946 OH TYR A 58 12.234 24.969 7.980 1.00 2.18 O ATOM 0 H TYR A 58 19.223 25.309 3.821 1.00 0.22 H new ATOM 0 HA TYR A 58 16.695 24.151 3.550 1.00 0.26 H new ATOM 0 HB2 TYR A 58 17.881 24.115 5.673 1.00 0.33 H new ATOM 0 HB3 TYR A 58 17.906 25.865 5.765 1.00 0.33 H new ATOM 0 HD1 TYR A 58 15.309 23.207 5.122 1.00 1.98 H new ATOM 0 HD2 TYR A 58 16.345 26.784 7.237 1.00 0.82 H new ATOM 0 HE1 TYR A 58 13.095 23.183 6.232 1.00 2.44 H new ATOM 0 HE2 TYR A 58 14.131 26.770 8.346 1.00 0.99 H new ATOM 0 HH TYR A 58 11.930 24.044 8.094 1.00 2.18 H new ATOM 956 N SER A 59 16.441 27.410 3.916 1.00 0.40 N ATOM 957 CA SER A 59 15.498 28.525 3.671 1.00 0.52 C ATOM 958 C SER A 59 15.035 28.518 2.210 1.00 0.55 C ATOM 959 O SER A 59 13.854 28.576 1.927 1.00 0.70 O ATOM 960 CB SER A 59 16.186 29.850 3.994 1.00 0.61 C ATOM 961 OG SER A 59 16.260 30.008 5.405 1.00 1.22 O ATOM 0 H SER A 59 17.331 27.676 4.337 1.00 0.40 H new ATOM 0 HA SER A 59 14.625 28.403 4.312 1.00 0.52 H new ATOM 0 HB2 SER A 59 17.186 29.869 3.561 1.00 0.61 H new ATOM 0 HB3 SER A 59 15.632 30.678 3.552 1.00 0.61 H new ATOM 0 HG SER A 59 16.703 30.856 5.616 1.00 1.22 H new ATOM 967 N ARG A 60 15.947 28.451 1.280 1.00 0.55 N ATOM 968 CA ARG A 60 15.546 28.446 -0.159 1.00 0.68 C ATOM 969 C ARG A 60 14.412 27.437 -0.371 1.00 0.68 C ATOM 970 O ARG A 60 13.503 27.664 -1.145 1.00 0.81 O ATOM 971 CB ARG A 60 16.753 28.055 -1.025 1.00 0.80 C ATOM 972 CG ARG A 60 17.653 29.279 -1.249 1.00 1.08 C ATOM 973 CD ARG A 60 18.830 28.916 -2.179 1.00 1.52 C ATOM 974 NE ARG A 60 20.084 29.567 -1.682 1.00 2.16 N ATOM 975 CZ ARG A 60 20.104 30.830 -1.343 1.00 2.72 C ATOM 976 NH1 ARG A 60 19.070 31.593 -1.570 1.00 2.84 N ATOM 977 NH2 ARG A 60 21.182 31.342 -0.816 1.00 3.69 N ATOM 0 H ARG A 60 16.951 28.400 1.452 1.00 0.55 H new ATOM 0 HA ARG A 60 15.202 29.440 -0.445 1.00 0.68 H new ATOM 0 HB2 ARG A 60 17.319 27.261 -0.538 1.00 0.80 H new ATOM 0 HB3 ARG A 60 16.412 27.663 -1.983 1.00 0.80 H new ATOM 0 HG2 ARG A 60 17.072 30.091 -1.687 1.00 1.08 H new ATOM 0 HG3 ARG A 60 18.034 29.639 -0.293 1.00 1.08 H new ATOM 0 HD2 ARG A 60 18.959 27.834 -2.213 1.00 1.52 H new ATOM 0 HD3 ARG A 60 18.617 29.244 -3.196 1.00 1.52 H new ATOM 0 HE ARG A 60 20.938 29.015 -1.607 1.00 2.16 H new ATOM 0 HH11 ARG A 60 18.238 31.205 -2.015 1.00 2.84 H new ATOM 0 HH12 ARG A 60 19.094 32.577 -1.302 1.00 2.84 H new ATOM 0 HH21 ARG A 60 22.005 30.758 -0.670 1.00 3.69 H new ATOM 0 HH22 ARG A 60 21.202 32.327 -0.550 1.00 3.69 H new ATOM 991 N GLN A 61 14.462 26.326 0.306 1.00 0.65 N ATOM 992 CA GLN A 61 13.392 25.301 0.140 1.00 0.75 C ATOM 993 C GLN A 61 12.018 25.948 0.343 1.00 0.82 C ATOM 994 O GLN A 61 11.008 25.423 -0.082 1.00 0.98 O ATOM 995 CB GLN A 61 13.589 24.190 1.176 1.00 0.78 C ATOM 996 CG GLN A 61 12.763 22.965 0.779 1.00 1.35 C ATOM 997 CD GLN A 61 13.391 22.300 -0.445 1.00 1.81 C ATOM 998 OE1 GLN A 61 13.022 22.590 -1.566 1.00 2.46 O ATOM 999 NE2 GLN A 61 14.332 21.415 -0.278 1.00 2.39 N ATOM 0 H GLN A 61 15.198 26.081 0.969 1.00 0.65 H new ATOM 0 HA GLN A 61 13.447 24.881 -0.864 1.00 0.75 H new ATOM 0 HB2 GLN A 61 14.644 23.924 1.242 1.00 0.78 H new ATOM 0 HB3 GLN A 61 13.286 24.541 2.162 1.00 0.78 H new ATOM 0 HG2 GLN A 61 12.720 22.258 1.608 1.00 1.35 H new ATOM 0 HG3 GLN A 61 11.737 23.261 0.559 1.00 1.35 H new ATOM 0 HE21 GLN A 61 14.642 21.171 0.663 1.00 2.39 H new ATOM 0 HE22 GLN A 61 14.759 20.966 -1.088 1.00 2.39 H new ATOM 1008 N HIS A 62 11.970 27.080 0.994 1.00 0.86 N ATOM 1009 CA HIS A 62 10.658 27.754 1.231 1.00 1.04 C ATOM 1010 C HIS A 62 10.332 28.686 0.061 1.00 1.08 C ATOM 1011 O HIS A 62 9.382 28.474 -0.665 1.00 1.27 O ATOM 1012 CB HIS A 62 10.737 28.569 2.522 1.00 1.15 C ATOM 1013 CG HIS A 62 11.159 27.671 3.651 1.00 1.32 C ATOM 1014 ND1 HIS A 62 11.620 28.170 4.863 1.00 1.81 N ATOM 1015 CD2 HIS A 62 11.196 26.303 3.770 1.00 1.57 C ATOM 1016 CE1 HIS A 62 11.912 27.117 5.650 1.00 1.95 C ATOM 1017 NE2 HIS A 62 11.671 25.962 5.030 1.00 1.81 N ATOM 0 H HIS A 62 12.782 27.568 1.372 1.00 0.86 H new ATOM 0 HA HIS A 62 9.875 27.000 1.317 1.00 1.04 H new ATOM 0 HB2 HIS A 62 11.449 29.386 2.407 1.00 1.15 H new ATOM 0 HB3 HIS A 62 9.769 29.018 2.742 1.00 1.15 H new ATOM 0 HD2 HIS A 62 10.902 25.602 3.003 1.00 1.57 H new ATOM 0 HE1 HIS A 62 12.294 27.198 6.657 1.00 1.95 H new ATOM 0 HE2 HIS A 62 11.807 25.023 5.403 1.00 1.81 H new ATOM 1025 N ASN A 63 11.109 29.718 -0.125 1.00 1.07 N ATOM 1026 CA ASN A 63 10.835 30.661 -1.247 1.00 1.28 C ATOM 1027 C ASN A 63 11.903 31.761 -1.266 1.00 1.39 C ATOM 1028 O ASN A 63 12.802 31.749 -2.082 1.00 1.84 O ATOM 1029 CB ASN A 63 9.441 31.284 -1.067 1.00 1.47 C ATOM 1030 CG ASN A 63 9.167 31.544 0.419 1.00 1.99 C ATOM 1031 OD1 ASN A 63 10.146 31.478 1.279 1.00 2.62 O flip ATOM 1032 ND2 ASN A 63 8.045 31.811 0.801 1.00 2.68 N flip ATOM 0 H ASN A 63 11.920 29.949 0.450 1.00 1.07 H new ATOM 0 HA ASN A 63 10.864 30.120 -2.193 1.00 1.28 H new ATOM 0 HB2 ASN A 63 9.377 32.218 -1.625 1.00 1.47 H new ATOM 0 HB3 ASN A 63 8.681 30.617 -1.473 1.00 1.47 H new ATOM 0 HD21 ASN A 63 7.277 31.863 0.131 1.00 2.68 H new ATOM 0 HD22 ASN A 63 7.871 31.983 1.791 1.00 2.68 H new ATOM 1039 N LEU A 64 11.808 32.714 -0.377 1.00 1.34 N ATOM 1040 CA LEU A 64 12.815 33.814 -0.348 1.00 1.51 C ATOM 1041 C LEU A 64 12.930 34.428 -1.746 1.00 1.81 C ATOM 1042 O LEU A 64 14.007 34.546 -2.297 1.00 2.42 O ATOM 1043 CB LEU A 64 14.181 33.255 0.084 1.00 1.61 C ATOM 1044 CG LEU A 64 14.213 33.015 1.605 1.00 1.76 C ATOM 1045 CD1 LEU A 64 14.249 34.351 2.372 1.00 1.87 C ATOM 1046 CD2 LEU A 64 12.975 32.213 2.026 1.00 2.54 C ATOM 0 H LEU A 64 11.076 32.778 0.331 1.00 1.34 H new ATOM 0 HA LEU A 64 12.500 34.578 0.363 1.00 1.51 H new ATOM 0 HB2 LEU A 64 14.380 32.321 -0.441 1.00 1.61 H new ATOM 0 HB3 LEU A 64 14.970 33.953 -0.196 1.00 1.61 H new ATOM 0 HG LEU A 64 15.116 32.454 1.847 1.00 1.76 H new ATOM 0 HD11 LEU A 64 14.271 34.155 3.444 1.00 1.87 H new ATOM 0 HD12 LEU A 64 15.140 34.910 2.087 1.00 1.87 H new ATOM 0 HD13 LEU A 64 13.361 34.934 2.128 1.00 1.87 H new ATOM 0 HD21 LEU A 64 13.000 32.044 3.103 1.00 2.54 H new ATOM 0 HD22 LEU A 64 12.075 32.770 1.767 1.00 2.54 H new ATOM 0 HD23 LEU A 64 12.970 31.254 1.508 1.00 2.54 H new ATOM 1058 N ASN A 65 11.827 34.821 -2.322 1.00 2.02 N ATOM 1059 CA ASN A 65 11.867 35.427 -3.679 1.00 2.49 C ATOM 1060 C ASN A 65 12.370 36.869 -3.579 1.00 3.04 C ATOM 1061 O ASN A 65 13.314 37.159 -2.873 1.00 3.62 O ATOM 1062 CB ASN A 65 10.458 35.418 -4.272 1.00 3.04 C ATOM 1063 CG ASN A 65 9.936 33.981 -4.328 1.00 3.59 C ATOM 1064 OD1 ASN A 65 10.428 33.117 -3.630 1.00 4.09 O ATOM 1065 ND2 ASN A 65 8.953 33.689 -5.134 1.00 4.13 N ATOM 0 H ASN A 65 10.898 34.747 -1.908 1.00 2.02 H new ATOM 0 HA ASN A 65 12.539 34.854 -4.318 1.00 2.49 H new ATOM 0 HB2 ASN A 65 9.793 36.034 -3.666 1.00 3.04 H new ATOM 0 HB3 ASN A 65 10.470 35.851 -5.272 1.00 3.04 H new ATOM 0 HD21 ASN A 65 8.597 32.734 -5.179 1.00 4.13 H new ATOM 0 HD22 ASN A 65 8.541 34.415 -5.720 1.00 4.13 H new ATOM 1072 N ILE A 66 11.745 37.774 -4.282 1.00 0.00 N ATOM 1073 CA ILE A 66 12.186 39.196 -4.229 1.00 0.00 C ATOM 1074 C ILE A 66 13.700 39.272 -4.436 1.00 0.00 C ATOM 1075 O ILE A 66 14.472 39.126 -3.510 1.00 0.00 O ATOM 1076 CB ILE A 66 11.828 39.793 -2.866 1.00 0.00 C ATOM 1077 CG1 ILE A 66 10.388 39.414 -2.497 1.00 0.00 C ATOM 1078 CG2 ILE A 66 11.957 41.317 -2.926 1.00 0.00 C ATOM 1079 CD1 ILE A 66 9.440 39.757 -3.652 1.00 0.00 C ATOM 0 H ILE A 66 10.948 37.589 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 66 11.684 39.759 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 66 12.508 39.400 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.330 38.349 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.083 39.946 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.702 41.742 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.982 41.586 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.279 41.710 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.421 39.484 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.487 40.827 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.738 39.205 -4.543 1.00 0.00 H new ATOM 1091 N TYR A 67 14.129 39.500 -5.646 1.00 0.00 N ATOM 1092 CA TYR A 67 15.592 39.586 -5.913 1.00 0.00 C ATOM 1093 C TYR A 67 15.824 40.243 -7.274 1.00 0.00 C ATOM 1094 O TYR A 67 15.007 40.144 -8.169 1.00 0.00 O ATOM 1095 CB TYR A 67 16.194 38.179 -5.918 1.00 0.00 C ATOM 1096 CG TYR A 67 15.414 37.302 -6.869 1.00 0.00 C ATOM 1097 CD1 TYR A 67 15.642 37.389 -8.248 1.00 0.00 C ATOM 1098 CD2 TYR A 67 14.460 36.404 -6.373 1.00 0.00 C ATOM 1099 CE1 TYR A 67 14.919 36.577 -9.130 1.00 0.00 C ATOM 1100 CE2 TYR A 67 13.737 35.593 -7.256 1.00 0.00 C ATOM 1101 CZ TYR A 67 13.967 35.679 -8.634 1.00 0.00 C ATOM 1102 OH TYR A 67 13.254 34.880 -9.505 1.00 0.00 O ATOM 0 H TYR A 67 13.530 39.630 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 67 16.068 40.182 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 67 17.241 38.221 -6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.169 37.757 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.376 38.083 -8.631 1.00 0.00 H new ATOM 0 HD2 TYR A 67 14.282 36.337 -5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.096 36.644 -10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 67 13.001 34.901 -6.874 1.00 0.00 H new ATOM 0 HH TYR A 67 12.635 34.314 -8.998 1.00 0.00 H new ATOM 1112 N ASP A 68 16.932 40.913 -7.439 1.00 0.00 N ATOM 1113 CA ASP A 68 17.221 41.578 -8.743 1.00 0.00 C ATOM 1114 C ASP A 68 18.735 41.699 -8.928 1.00 0.00 C ATOM 1115 O ASP A 68 19.210 42.414 -9.789 1.00 0.00 O ATOM 1116 CB ASP A 68 16.593 42.974 -8.754 1.00 0.00 C ATOM 1117 CG ASP A 68 16.699 43.571 -10.158 1.00 0.00 C ATOM 1118 OD1 ASP A 68 17.051 42.837 -11.067 1.00 0.00 O ATOM 1119 OD2 ASP A 68 16.427 44.752 -10.300 1.00 0.00 O ATOM 0 H ASP A 68 17.652 41.029 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 68 16.801 40.984 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.548 42.916 -8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.099 43.618 -8.035 1.00 0.00 H new ATOM 1124 N GLY A 69 19.499 41.004 -8.126 1.00 0.00 N ATOM 1125 CA GLY A 69 20.986 41.074 -8.250 1.00 0.00 C ATOM 1126 C GLY A 69 21.617 40.942 -6.862 1.00 0.00 C ATOM 1127 O GLY A 69 22.188 39.925 -6.523 1.00 0.00 O ATOM 0 H GLY A 69 19.156 40.389 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 69 21.346 40.278 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.280 42.019 -8.707 1.00 0.00 H new ATOM 1131 N GLY A 70 21.516 41.965 -6.057 1.00 0.00 N ATOM 1132 CA GLY A 70 22.107 41.906 -4.687 1.00 0.00 C ATOM 1133 C GLY A 70 22.472 43.320 -4.232 1.00 0.00 C ATOM 1134 O GLY A 70 23.631 43.670 -4.130 1.00 0.00 O ATOM 0 H GLY A 70 21.049 42.842 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 70 21.397 41.460 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 70 22.994 41.272 -4.688 1.00 0.00 H new ATOM 1138 N GLU A 71 21.492 44.138 -3.961 1.00 0.00 N ATOM 1139 CA GLU A 71 21.788 45.529 -3.518 1.00 0.00 C ATOM 1140 C GLU A 71 22.711 46.197 -4.538 1.00 0.00 C ATOM 1141 O GLU A 71 23.766 46.697 -4.202 1.00 0.00 O ATOM 1142 CB GLU A 71 22.475 45.494 -2.151 1.00 0.00 C ATOM 1143 CG GLU A 71 22.459 46.893 -1.533 1.00 0.00 C ATOM 1144 CD GLU A 71 23.434 46.943 -0.355 1.00 0.00 C ATOM 1145 OE1 GLU A 71 24.612 46.717 -0.577 1.00 0.00 O ATOM 1146 OE2 GLU A 71 22.985 47.206 0.748 1.00 0.00 O ATOM 0 H GLU A 71 20.501 43.904 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 71 20.859 46.094 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 71 21.965 44.789 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 71 23.502 45.144 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 71 22.738 47.635 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 71 21.453 47.142 -1.196 1.00 0.00 H new ATOM 1153 N LEU A 72 22.325 46.205 -5.785 1.00 0.00 N ATOM 1154 CA LEU A 72 23.183 46.836 -6.826 1.00 0.00 C ATOM 1155 C LEU A 72 23.050 48.357 -6.753 1.00 0.00 C ATOM 1156 O LEU A 72 22.012 48.915 -7.049 1.00 0.00 O ATOM 1157 CB LEU A 72 22.746 46.354 -8.214 1.00 0.00 C ATOM 1158 CG LEU A 72 23.201 44.903 -8.440 1.00 0.00 C ATOM 1159 CD1 LEU A 72 22.469 44.335 -9.660 1.00 0.00 C ATOM 1160 CD2 LEU A 72 24.725 44.841 -8.677 1.00 0.00 C ATOM 0 H LEU A 72 21.453 45.802 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 72 24.222 46.555 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 72 21.662 46.421 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 72 23.172 47.000 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 72 22.965 44.315 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 72 22.786 43.306 -9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.394 44.359 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 72 22.706 44.935 -10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 72 25.027 43.806 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.981 45.432 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 72 25.245 45.242 -7.807 1.00 0.00 H new ATOM 1172 N ARG A 73 24.105 49.030 -6.368 1.00 0.00 N ATOM 1173 CA ARG A 73 24.073 50.524 -6.275 1.00 0.00 C ATOM 1174 C ARG A 73 24.911 51.108 -7.414 1.00 0.00 C ATOM 1175 O ARG A 73 24.567 50.990 -8.574 1.00 0.00 O ATOM 1176 CB ARG A 73 24.665 50.961 -4.931 1.00 0.00 C ATOM 1177 CG ARG A 73 23.849 50.357 -3.781 1.00 0.00 C ATOM 1178 CD ARG A 73 22.441 50.970 -3.745 1.00 0.00 C ATOM 1179 NE ARG A 73 21.880 50.838 -2.371 1.00 0.00 N ATOM 1180 CZ ARG A 73 20.837 51.540 -2.021 1.00 0.00 C ATOM 1181 NH1 ARG A 73 20.286 52.360 -2.874 1.00 0.00 N ATOM 1182 NH2 ARG A 73 20.347 51.424 -0.818 1.00 0.00 N ATOM 0 H ARG A 73 24.996 48.605 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 73 23.046 50.880 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 73 25.704 50.639 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 73 24.662 52.049 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 73 23.779 49.276 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 73 24.356 50.537 -2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 73 22.482 52.020 -4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 73 21.794 50.467 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 73 22.311 50.199 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.671 52.452 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 73 19.471 52.909 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 73 20.779 50.785 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 73 19.532 51.973 -0.544 1.00 0.00 H new ATOM 1196 N ASN A 74 26.014 51.733 -7.097 1.00 0.00 N ATOM 1197 CA ASN A 74 26.878 52.318 -8.163 1.00 0.00 C ATOM 1198 C ASN A 74 27.890 51.268 -8.624 1.00 0.00 C ATOM 1199 O ASN A 74 27.873 50.829 -9.757 1.00 0.00 O ATOM 1200 CB ASN A 74 27.625 53.531 -7.605 1.00 0.00 C ATOM 1201 CG ASN A 74 28.268 53.164 -6.266 1.00 0.00 C ATOM 1202 OD1 ASN A 74 27.591 53.061 -5.263 1.00 0.00 O ATOM 1203 ND2 ASN A 74 29.555 52.959 -6.209 1.00 0.00 N ATOM 0 H ASN A 74 26.354 51.864 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 74 26.260 52.628 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 74 28.390 53.856 -8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 74 26.937 54.366 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 74 29.993 52.712 -5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 74 30.123 53.046 -7.052 1.00 0.00 H new ATOM 1210 N THR A 75 28.773 50.860 -7.751 1.00 0.00 N ATOM 1211 CA THR A 75 29.788 49.836 -8.133 1.00 0.00 C ATOM 1212 C THR A 75 30.407 50.205 -9.484 1.00 0.00 C ATOM 1213 O THR A 75 31.244 51.081 -9.576 1.00 0.00 O ATOM 1214 CB THR A 75 29.116 48.466 -8.236 1.00 0.00 C ATOM 1215 OG1 THR A 75 28.083 48.519 -9.211 1.00 0.00 O ATOM 1216 CG2 THR A 75 28.522 48.083 -6.879 1.00 0.00 C ATOM 0 H THR A 75 28.835 51.193 -6.789 1.00 0.00 H new ATOM 0 HA THR A 75 30.570 49.801 -7.375 1.00 0.00 H new ATOM 0 HB THR A 75 29.854 47.720 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 75 27.983 49.440 -9.531 1.00 0.00 H new ATOM 0 HG21 THR A 75 28.043 47.107 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 75 29.316 48.042 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 75 27.783 48.827 -6.582 1.00 0.00 H new ATOM 1224 N THR A 76 29.999 49.544 -10.533 1.00 0.00 N ATOM 1225 CA THR A 76 30.559 49.857 -11.878 1.00 0.00 C ATOM 1226 C THR A 76 29.810 51.052 -12.472 1.00 0.00 C ATOM 1227 O THR A 76 28.604 51.030 -12.618 1.00 0.00 O ATOM 1228 CB THR A 76 30.393 48.642 -12.794 1.00 0.00 C ATOM 1229 OG1 THR A 76 29.056 48.592 -13.273 1.00 0.00 O ATOM 1230 CG2 THR A 76 30.705 47.366 -12.011 1.00 0.00 C ATOM 0 H THR A 76 29.301 48.800 -10.516 1.00 0.00 H new ATOM 0 HA THR A 76 31.618 50.099 -11.787 1.00 0.00 H new ATOM 0 HB THR A 76 31.078 48.725 -13.638 1.00 0.00 H new ATOM 0 HG1 THR A 76 28.519 49.271 -12.814 1.00 0.00 H new ATOM 0 HG21 THR A 76 30.587 46.501 -12.663 1.00 0.00 H new ATOM 0 HG22 THR A 76 31.730 47.406 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 76 30.020 47.280 -11.167 1.00 0.00 H new ATOM 1238 N ARG A 77 30.517 52.097 -12.815 1.00 0.00 N ATOM 1239 CA ARG A 77 29.852 53.301 -13.400 1.00 0.00 C ATOM 1240 C ARG A 77 30.767 53.907 -14.467 1.00 0.00 C ATOM 1241 O ARG A 77 30.521 54.983 -14.975 1.00 0.00 O ATOM 1242 CB ARG A 77 29.595 54.328 -12.288 1.00 0.00 C ATOM 1243 CG ARG A 77 28.511 55.318 -12.729 1.00 0.00 C ATOM 1244 CD ARG A 77 28.190 56.274 -11.578 1.00 0.00 C ATOM 1245 NE ARG A 77 26.899 56.965 -11.851 1.00 0.00 N ATOM 1246 CZ ARG A 77 26.278 57.591 -10.888 1.00 0.00 C ATOM 1247 NH1 ARG A 77 26.790 57.612 -9.687 1.00 0.00 N ATOM 1248 NH2 ARG A 77 25.146 58.195 -11.125 1.00 0.00 N ATOM 0 H ARG A 77 31.530 52.169 -12.715 1.00 0.00 H new ATOM 0 HA ARG A 77 28.902 53.020 -13.854 1.00 0.00 H new ATOM 0 HB2 ARG A 77 29.284 53.819 -11.376 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.516 54.864 -12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 77 28.850 55.881 -13.599 1.00 0.00 H new ATOM 0 HG3 ARG A 77 27.612 54.779 -13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 77 28.128 55.723 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 77 28.990 57.006 -11.465 1.00 0.00 H new ATOM 0 HE ARG A 77 26.500 56.949 -12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 77 27.675 57.140 -9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 77 26.305 58.101 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 77 24.746 58.178 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 77 24.661 58.684 -10.372 1.00 0.00 H new ATOM 1262 N GLN A 78 31.823 53.222 -14.811 1.00 0.00 N ATOM 1263 CA GLN A 78 32.754 53.755 -15.844 1.00 0.00 C ATOM 1264 C GLN A 78 31.976 54.048 -17.128 1.00 0.00 C ATOM 1265 O GLN A 78 31.858 53.210 -18.000 1.00 0.00 O ATOM 1266 CB GLN A 78 33.842 52.717 -16.130 1.00 0.00 C ATOM 1267 CG GLN A 78 34.651 52.460 -14.856 1.00 0.00 C ATOM 1268 CD GLN A 78 35.474 51.181 -15.021 1.00 0.00 C ATOM 1269 OE1 GLN A 78 34.971 50.092 -14.826 1.00 0.00 O ATOM 1270 NE2 GLN A 78 36.727 51.268 -15.375 1.00 0.00 N ATOM 0 H GLN A 78 32.081 52.316 -14.421 1.00 0.00 H new ATOM 0 HA GLN A 78 33.214 54.674 -15.482 1.00 0.00 H new ATOM 0 HB2 GLN A 78 33.391 51.789 -16.480 1.00 0.00 H new ATOM 0 HB3 GLN A 78 34.498 53.072 -16.925 1.00 0.00 H new ATOM 0 HG2 GLN A 78 35.309 53.305 -14.654 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.982 52.366 -14.001 1.00 0.00 H new ATOM 0 HE21 GLN A 78 37.148 52.182 -15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 78 37.285 50.422 -15.488 1.00 0.00 H new ATOM 1279 N CYS A 79 31.443 55.233 -17.251 1.00 0.00 N ATOM 1280 CA CYS A 79 30.672 55.580 -18.478 1.00 0.00 C ATOM 1281 C CYS A 79 31.633 55.730 -19.659 1.00 0.00 C ATOM 1282 O CYS A 79 31.284 55.472 -20.793 1.00 0.00 O ATOM 1283 CB CYS A 79 29.925 56.897 -18.256 1.00 0.00 C ATOM 1284 SG CYS A 79 28.634 56.655 -17.010 1.00 0.00 S ATOM 0 H CYS A 79 31.508 55.976 -16.555 1.00 0.00 H new ATOM 0 HA CYS A 79 29.955 54.788 -18.693 1.00 0.00 H new ATOM 0 HB2 CYS A 79 30.620 57.671 -17.930 1.00 0.00 H new ATOM 0 HB3 CYS A 79 29.483 57.239 -19.192 1.00 0.00 H new ATOM 0 HG CYS A 79 29.116 55.974 -16.013 1.00 0.00 H new ATOM 1290 N GLY A 80 32.843 56.146 -19.401 1.00 0.00 N ATOM 1291 CA GLY A 80 33.826 56.312 -20.509 1.00 0.00 C ATOM 1292 C GLY A 80 33.250 57.254 -21.567 1.00 0.00 C ATOM 1293 O GLY A 80 32.143 57.727 -21.371 1.00 0.00 O ATOM 1294 OXT GLY A 80 33.926 57.487 -22.556 1.00 0.00 O ATOM 0 H GLY A 80 33.193 56.378 -18.471 1.00 0.00 H new ATOM 0 HA2 GLY A 80 34.762 56.713 -20.121 1.00 0.00 H new ATOM 0 HA3 GLY A 80 34.054 55.344 -20.955 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 6.937 10.656 11.716 1.00 6.48 N ATOM 1300 CA GLY B 1 7.362 12.117 11.545 1.00 5.73 C ATOM 1301 C GLY B 1 6.991 12.856 10.306 1.00 4.94 C ATOM 1302 O GLY B 1 6.771 12.270 9.264 1.00 5.12 O ATOM 0 H1 GLY B 1 7.278 10.300 12.632 1.00 6.48 H new ATOM 0 H2 GLY B 1 5.900 10.590 11.683 1.00 6.48 H new ATOM 0 H3 GLY B 1 7.344 10.084 10.949 1.00 6.48 H new ATOM 0 HA2 GLY B 1 6.957 12.674 12.390 1.00 5.73 H new ATOM 0 HA3 GLY B 1 8.448 12.152 11.631 1.00 5.73 H new ATOM 1308 N SER B 2 6.913 14.156 10.381 1.00 4.43 N ATOM 1309 CA SER B 2 6.548 14.954 9.177 1.00 3.98 C ATOM 1310 C SER B 2 7.568 14.667 8.059 1.00 2.98 C ATOM 1311 O SER B 2 8.619 14.119 8.325 1.00 3.23 O ATOM 1312 CB SER B 2 6.565 16.451 9.546 1.00 4.81 C ATOM 1313 OG SER B 2 7.452 17.154 8.683 1.00 5.35 O ATOM 0 H SER B 2 7.087 14.701 11.226 1.00 4.43 H new ATOM 0 HA SER B 2 5.551 14.684 8.828 1.00 3.98 H new ATOM 0 HB2 SER B 2 5.560 16.866 9.465 1.00 4.81 H new ATOM 0 HB3 SER B 2 6.878 16.575 10.583 1.00 4.81 H new ATOM 0 HG SER B 2 7.456 18.104 8.922 1.00 5.35 H new ATOM 1319 N PRO B 3 7.241 15.044 6.837 1.00 2.36 N ATOM 1320 CA PRO B 3 8.149 14.820 5.694 1.00 2.03 C ATOM 1321 C PRO B 3 9.477 15.553 5.931 1.00 1.67 C ATOM 1322 O PRO B 3 10.522 14.945 6.053 1.00 2.17 O ATOM 1323 CB PRO B 3 7.397 15.395 4.469 1.00 2.59 C ATOM 1324 CG PRO B 3 6.094 16.064 4.995 1.00 2.98 C ATOM 1325 CD PRO B 3 5.964 15.711 6.493 1.00 2.84 C ATOM 0 HA PRO B 3 8.397 13.768 5.550 1.00 2.03 H new ATOM 0 HB2 PRO B 3 8.017 16.122 3.945 1.00 2.59 H new ATOM 0 HB3 PRO B 3 7.162 14.604 3.757 1.00 2.59 H new ATOM 0 HG2 PRO B 3 6.135 17.145 4.858 1.00 2.98 H new ATOM 0 HG3 PRO B 3 5.227 15.705 4.440 1.00 2.98 H new ATOM 0 HD2 PRO B 3 5.809 16.604 7.098 1.00 2.84 H new ATOM 0 HD3 PRO B 3 5.113 15.053 6.672 1.00 2.84 H new ATOM 1333 N LEU B 4 9.437 16.854 5.992 1.00 1.47 N ATOM 1334 CA LEU B 4 10.689 17.633 6.217 1.00 1.38 C ATOM 1335 C LEU B 4 11.297 17.243 7.566 1.00 1.11 C ATOM 1336 O LEU B 4 11.174 17.956 8.542 1.00 1.29 O ATOM 1337 CB LEU B 4 10.371 19.132 6.218 1.00 1.71 C ATOM 1338 CG LEU B 4 9.515 19.491 4.998 1.00 2.15 C ATOM 1339 CD1 LEU B 4 9.112 20.965 5.081 1.00 2.81 C ATOM 1340 CD2 LEU B 4 10.318 19.253 3.713 1.00 2.82 C ATOM 0 H LEU B 4 8.590 17.414 5.896 1.00 1.47 H new ATOM 0 HA LEU B 4 11.398 17.413 5.419 1.00 1.38 H new ATOM 0 HB2 LEU B 4 9.843 19.399 7.133 1.00 1.71 H new ATOM 0 HB3 LEU B 4 11.296 19.708 6.205 1.00 1.71 H new ATOM 0 HG LEU B 4 8.623 18.865 4.985 1.00 2.15 H new ATOM 0 HD11 LEU B 4 8.503 21.225 4.215 1.00 2.81 H new ATOM 0 HD12 LEU B 4 8.538 21.135 5.992 1.00 2.81 H new ATOM 0 HD13 LEU B 4 10.007 21.587 5.095 1.00 2.81 H new ATOM 0 HD21 LEU B 4 9.706 19.509 2.849 1.00 2.82 H new ATOM 0 HD22 LEU B 4 11.212 19.876 3.722 1.00 2.82 H new ATOM 0 HD23 LEU B 4 10.608 18.204 3.654 1.00 2.82 H new ATOM 1352 N GLY B 5 11.954 16.118 7.628 1.00 0.96 N ATOM 1353 CA GLY B 5 12.569 15.686 8.915 1.00 0.91 C ATOM 1354 C GLY B 5 13.645 16.692 9.330 1.00 0.71 C ATOM 1355 O GLY B 5 13.818 16.984 10.497 1.00 0.79 O ATOM 0 H GLY B 5 12.092 15.480 6.844 1.00 0.96 H new ATOM 0 HA2 GLY B 5 11.805 15.614 9.689 1.00 0.91 H new ATOM 0 HA3 GLY B 5 13.007 14.694 8.806 1.00 0.91 H new ATOM 1359 N GLN B 6 14.372 17.223 8.385 1.00 0.61 N ATOM 1360 CA GLN B 6 15.438 18.208 8.726 1.00 0.58 C ATOM 1361 C GLN B 6 14.821 19.396 9.467 1.00 0.45 C ATOM 1362 O GLN B 6 15.416 19.953 10.368 1.00 0.53 O ATOM 1363 CB GLN B 6 16.110 18.699 7.441 1.00 0.73 C ATOM 1364 CG GLN B 6 15.109 19.511 6.613 1.00 0.92 C ATOM 1365 CD GLN B 6 15.639 19.678 5.187 1.00 1.60 C ATOM 1366 OE1 GLN B 6 14.880 19.650 4.239 1.00 2.37 O ATOM 1367 NE2 GLN B 6 16.918 19.850 4.995 1.00 2.15 N ATOM 0 H GLN B 6 14.274 17.017 7.391 1.00 0.61 H new ATOM 0 HA GLN B 6 16.181 17.730 9.365 1.00 0.58 H new ATOM 0 HB2 GLN B 6 16.978 19.312 7.684 1.00 0.73 H new ATOM 0 HB3 GLN B 6 16.472 17.850 6.861 1.00 0.73 H new ATOM 0 HG2 GLN B 6 14.142 19.007 6.596 1.00 0.92 H new ATOM 0 HG3 GLN B 6 14.951 20.488 7.070 1.00 0.92 H new ATOM 0 HE21 GLN B 6 17.555 19.873 5.792 1.00 2.15 H new ATOM 0 HE22 GLN B 6 17.281 19.961 4.048 1.00 2.15 H new ATOM 1376 N ASP B 7 13.634 19.787 9.092 1.00 0.40 N ATOM 1377 CA ASP B 7 12.970 20.941 9.768 1.00 0.38 C ATOM 1378 C ASP B 7 13.119 20.806 11.286 1.00 0.33 C ATOM 1379 O ASP B 7 13.561 21.714 11.962 1.00 0.39 O ATOM 1380 CB ASP B 7 11.482 20.952 9.401 1.00 0.48 C ATOM 1381 CG ASP B 7 10.885 22.328 9.702 1.00 1.12 C ATOM 1382 OD1 ASP B 7 10.803 22.675 10.869 1.00 1.86 O ATOM 1383 OD2 ASP B 7 10.519 23.013 8.761 1.00 1.78 O ATOM 0 H ASP B 7 13.092 19.356 8.343 1.00 0.40 H new ATOM 0 HA ASP B 7 13.437 21.871 9.442 1.00 0.38 H new ATOM 0 HB2 ASP B 7 11.357 20.714 8.345 1.00 0.48 H new ATOM 0 HB3 ASP B 7 10.953 20.184 9.966 1.00 0.48 H new ATOM 1388 N VAL B 8 12.751 19.678 11.822 1.00 0.33 N ATOM 1389 CA VAL B 8 12.867 19.479 13.295 1.00 0.39 C ATOM 1390 C VAL B 8 14.304 19.758 13.741 1.00 0.36 C ATOM 1391 O VAL B 8 14.540 20.516 14.659 1.00 0.48 O ATOM 1392 CB VAL B 8 12.497 18.040 13.652 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.351 17.918 15.170 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.171 17.672 12.983 1.00 1.19 C ATOM 0 H VAL B 8 12.374 18.883 11.305 1.00 0.33 H new ATOM 0 HA VAL B 8 12.189 20.165 13.802 1.00 0.39 H new ATOM 0 HB VAL B 8 13.279 17.365 13.303 1.00 0.50 H new ATOM 0 HG11 VAL B 8 12.087 16.893 15.429 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.294 18.182 15.649 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.568 18.593 15.516 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.907 16.646 13.238 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.388 18.345 13.332 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.272 17.763 11.901 1.00 1.19 H new ATOM 1404 N PHE B 9 15.268 19.155 13.098 1.00 0.28 N ATOM 1405 CA PHE B 9 16.688 19.392 13.490 1.00 0.27 C ATOM 1406 C PHE B 9 16.925 20.894 13.642 1.00 0.25 C ATOM 1407 O PHE B 9 17.518 21.343 14.602 1.00 0.32 O ATOM 1408 CB PHE B 9 17.615 18.826 12.409 1.00 0.26 C ATOM 1409 CG PHE B 9 19.011 18.687 12.966 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.805 19.824 13.146 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.510 17.423 13.307 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.097 19.699 13.666 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.803 17.300 13.829 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.595 18.439 14.008 1.00 0.20 C ATOM 0 H PHE B 9 15.134 18.510 12.320 1.00 0.28 H new ATOM 0 HA PHE B 9 16.897 18.896 14.438 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.248 17.857 12.072 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.622 19.484 11.540 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.420 20.798 12.883 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.898 16.544 13.167 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.711 20.577 13.803 1.00 0.23 H new ATOM 0 HE2 PHE B 9 21.189 16.326 14.093 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.593 18.344 14.411 1.00 0.20 H new ATOM 1424 N LEU B 10 16.454 21.676 12.713 1.00 0.23 N ATOM 1425 CA LEU B 10 16.645 23.145 12.826 1.00 0.23 C ATOM 1426 C LEU B 10 15.888 23.639 14.057 1.00 0.24 C ATOM 1427 O LEU B 10 16.321 24.541 14.745 1.00 0.28 O ATOM 1428 CB LEU B 10 16.108 23.835 11.573 1.00 0.25 C ATOM 1429 CG LEU B 10 16.664 23.144 10.323 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.278 23.955 9.089 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.194 23.048 10.411 1.00 0.23 C ATOM 0 H LEU B 10 15.948 21.363 11.885 1.00 0.23 H new ATOM 0 HA LEU B 10 17.705 23.377 12.924 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.019 23.800 11.565 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.393 24.887 11.575 1.00 0.25 H new ATOM 0 HG LEU B 10 16.248 22.139 10.253 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.671 23.468 8.196 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.192 24.018 9.020 1.00 0.30 H new ATOM 0 HD13 LEU B 10 16.695 24.959 9.168 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.580 22.556 9.518 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.618 24.050 10.485 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.472 22.471 11.293 1.00 0.23 H new ATOM 1443 N ASP B 11 14.765 23.038 14.354 1.00 0.23 N ATOM 1444 CA ASP B 11 13.993 23.463 15.557 1.00 0.25 C ATOM 1445 C ASP B 11 14.942 23.469 16.755 1.00 0.22 C ATOM 1446 O ASP B 11 15.120 24.472 17.416 1.00 0.30 O ATOM 1447 CB ASP B 11 12.841 22.481 15.810 1.00 0.30 C ATOM 1448 CG ASP B 11 11.809 23.127 16.738 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.214 23.699 17.736 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.631 23.037 16.434 1.00 1.67 O ATOM 0 H ASP B 11 14.352 22.275 13.818 1.00 0.23 H new ATOM 0 HA ASP B 11 13.574 24.457 15.404 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.372 22.204 14.866 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.224 21.564 16.258 1.00 0.30 H new ATOM 1455 N TYR B 12 15.573 22.357 17.025 1.00 0.17 N ATOM 1456 CA TYR B 12 16.530 22.307 18.161 1.00 0.15 C ATOM 1457 C TYR B 12 17.605 23.365 17.923 1.00 0.16 C ATOM 1458 O TYR B 12 17.901 24.182 18.772 1.00 0.23 O ATOM 1459 CB TYR B 12 17.184 20.918 18.220 1.00 0.14 C ATOM 1460 CG TYR B 12 16.132 19.871 18.533 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.427 19.921 19.742 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.861 18.849 17.613 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.456 18.955 20.029 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.890 17.883 17.901 1.00 0.24 C ATOM 1465 CZ TYR B 12 14.187 17.936 19.109 1.00 0.27 C ATOM 1466 OH TYR B 12 13.230 16.984 19.393 1.00 0.32 O ATOM 0 H TYR B 12 15.465 21.485 16.507 1.00 0.17 H new ATOM 0 HA TYR B 12 16.012 22.496 19.101 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.665 20.691 17.269 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.963 20.904 18.982 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.633 20.706 20.454 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.403 18.807 16.680 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.914 18.996 20.962 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.684 17.096 17.190 1.00 0.24 H new ATOM 0 HH TYR B 12 13.168 16.350 18.648 1.00 0.32 H new ATOM 1476 N CYS B 13 18.178 23.346 16.757 1.00 0.19 N ATOM 1477 CA CYS B 13 19.232 24.332 16.402 1.00 0.24 C ATOM 1478 C CYS B 13 18.764 25.747 16.758 1.00 0.26 C ATOM 1479 O CYS B 13 19.533 26.569 17.215 1.00 0.33 O ATOM 1480 CB CYS B 13 19.506 24.220 14.895 1.00 0.30 C ATOM 1481 SG CYS B 13 21.222 24.660 14.547 1.00 1.27 S ATOM 0 H CYS B 13 17.957 22.676 16.020 1.00 0.19 H new ATOM 0 HA CYS B 13 20.146 24.127 16.960 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.306 23.204 14.555 1.00 0.30 H new ATOM 0 HB3 CYS B 13 18.834 24.878 14.345 1.00 0.30 H new ATOM 0 HG CYS B 13 21.445 24.561 13.270 1.00 1.27 H new ATOM 1487 N GLN B 14 17.510 26.038 16.552 1.00 0.24 N ATOM 1488 CA GLN B 14 17.000 27.399 16.879 1.00 0.27 C ATOM 1489 C GLN B 14 17.167 27.659 18.378 1.00 0.24 C ATOM 1490 O GLN B 14 17.676 28.683 18.786 1.00 0.29 O ATOM 1491 CB GLN B 14 15.519 27.499 16.504 1.00 0.32 C ATOM 1492 CG GLN B 14 15.018 28.917 16.782 1.00 0.62 C ATOM 1493 CD GLN B 14 13.613 29.088 16.202 1.00 0.88 C ATOM 1494 OE1 GLN B 14 12.744 28.271 16.434 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.351 30.123 15.451 1.00 1.44 N ATOM 0 H GLN B 14 16.817 25.393 16.172 1.00 0.24 H new ATOM 0 HA GLN B 14 17.565 28.142 16.315 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.382 27.253 15.451 1.00 0.32 H new ATOM 0 HB3 GLN B 14 14.938 26.777 17.078 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.004 29.105 17.856 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.696 29.646 16.339 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.080 30.809 15.256 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.417 30.246 15.059 1.00 1.44 H new ATOM 1504 N LYS B 15 16.746 26.742 19.204 1.00 0.23 N ATOM 1505 CA LYS B 15 16.889 26.946 20.673 1.00 0.23 C ATOM 1506 C LYS B 15 18.361 27.197 21.007 1.00 0.20 C ATOM 1507 O LYS B 15 18.712 28.196 21.603 1.00 0.23 O ATOM 1508 CB LYS B 15 16.398 25.700 21.413 1.00 0.24 C ATOM 1509 CG LYS B 15 14.890 25.544 21.205 1.00 0.55 C ATOM 1510 CD LYS B 15 14.448 24.154 21.673 1.00 1.19 C ATOM 1511 CE LYS B 15 14.622 24.036 23.190 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.829 22.879 23.692 1.00 2.21 N ATOM 0 H LYS B 15 16.310 25.862 18.927 1.00 0.23 H new ATOM 0 HA LYS B 15 16.294 27.805 20.983 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.920 24.816 21.045 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.622 25.783 22.476 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.354 26.313 21.761 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.642 25.680 20.152 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.406 23.984 21.403 1.00 1.19 H new ATOM 0 HD3 LYS B 15 15.037 23.387 21.170 1.00 1.19 H new ATOM 0 HE2 LYS B 15 15.675 23.903 23.437 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.294 24.954 23.677 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.947 22.798 24.722 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.824 23.024 23.469 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 14.162 22.006 23.236 1.00 2.21 H new ATOM 1526 N LEU B 16 19.226 26.296 20.621 1.00 0.18 N ATOM 1527 CA LEU B 16 20.681 26.472 20.903 1.00 0.17 C ATOM 1528 C LEU B 16 21.095 27.908 20.553 1.00 0.18 C ATOM 1529 O LEU B 16 22.053 28.440 21.078 1.00 0.23 O ATOM 1530 CB LEU B 16 21.471 25.460 20.039 1.00 0.15 C ATOM 1531 CG LEU B 16 22.611 24.818 20.848 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.034 23.931 21.979 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.476 23.984 19.894 1.00 0.18 C ATOM 0 H LEU B 16 18.985 25.441 20.120 1.00 0.18 H new ATOM 0 HA LEU B 16 20.892 26.295 21.958 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.798 24.685 19.674 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.880 25.965 19.164 1.00 0.15 H new ATOM 0 HG LEU B 16 23.221 25.593 21.311 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.852 23.483 22.543 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.425 24.542 22.646 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.418 23.143 21.545 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.290 23.521 20.452 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.865 23.208 19.433 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.888 24.629 19.119 1.00 0.18 H new ATOM 1545 N LEU B 17 20.377 28.528 19.659 1.00 0.17 N ATOM 1546 CA LEU B 17 20.711 29.919 19.250 1.00 0.19 C ATOM 1547 C LEU B 17 20.117 30.920 20.247 1.00 0.22 C ATOM 1548 O LEU B 17 20.792 31.802 20.738 1.00 0.30 O ATOM 1549 CB LEU B 17 20.119 30.169 17.856 1.00 0.19 C ATOM 1550 CG LEU B 17 20.823 31.365 17.182 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.110 30.897 16.491 1.00 0.14 C ATOM 1552 CD2 LEU B 17 19.899 31.994 16.130 1.00 0.33 C ATOM 0 H LEU B 17 19.565 28.126 19.190 1.00 0.17 H new ATOM 0 HA LEU B 17 21.793 30.048 19.231 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.233 29.277 17.240 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.050 30.366 17.937 1.00 0.19 H new ATOM 0 HG LEU B 17 21.064 32.101 17.949 1.00 0.22 H new ATOM 0 HD11 LEU B 17 22.599 31.748 16.018 1.00 0.14 H new ATOM 0 HD12 LEU B 17 22.780 30.457 17.230 1.00 0.14 H new ATOM 0 HD13 LEU B 17 21.866 30.152 15.733 1.00 0.14 H new ATOM 0 HD21 LEU B 17 20.404 32.837 15.660 1.00 0.33 H new ATOM 0 HD22 LEU B 17 19.651 31.251 15.372 1.00 0.33 H new ATOM 0 HD23 LEU B 17 18.984 32.341 16.610 1.00 0.33 H new ATOM 1564 N GLU B 18 18.852 30.795 20.530 1.00 0.20 N ATOM 1565 CA GLU B 18 18.190 31.741 21.475 1.00 0.24 C ATOM 1566 C GLU B 18 18.899 31.723 22.830 1.00 0.22 C ATOM 1567 O GLU B 18 19.349 32.739 23.322 1.00 0.26 O ATOM 1568 CB GLU B 18 16.732 31.322 21.681 1.00 0.30 C ATOM 1569 CG GLU B 18 16.030 31.175 20.329 1.00 1.05 C ATOM 1570 CD GLU B 18 15.744 32.560 19.745 1.00 1.67 C ATOM 1571 OE1 GLU B 18 16.669 33.169 19.234 1.00 2.17 O ATOM 1572 OE2 GLU B 18 14.603 32.988 19.818 1.00 2.29 O ATOM 0 H GLU B 18 18.242 30.074 20.146 1.00 0.20 H new ATOM 0 HA GLU B 18 18.239 32.745 21.052 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.690 30.379 22.225 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.215 32.064 22.289 1.00 0.30 H new ATOM 0 HG2 GLU B 18 16.655 30.602 19.644 1.00 1.05 H new ATOM 0 HG3 GLU B 18 15.099 30.621 20.450 1.00 1.05 H new ATOM 1579 N LYS B 19 18.979 30.579 23.447 1.00 0.19 N ATOM 1580 CA LYS B 19 19.628 30.486 24.775 1.00 0.20 C ATOM 1581 C LYS B 19 20.961 31.237 24.778 1.00 0.19 C ATOM 1582 O LYS B 19 21.209 32.068 25.629 1.00 0.26 O ATOM 1583 CB LYS B 19 19.861 29.012 25.090 1.00 0.21 C ATOM 1584 CG LYS B 19 18.533 28.347 25.462 1.00 0.29 C ATOM 1585 CD LYS B 19 18.781 26.880 25.820 1.00 0.33 C ATOM 1586 CE LYS B 19 17.451 26.123 25.834 1.00 0.95 C ATOM 1587 NZ LYS B 19 17.688 24.711 26.246 1.00 1.68 N ATOM 0 H LYS B 19 18.618 29.698 23.081 1.00 0.19 H new ATOM 0 HA LYS B 19 18.985 30.939 25.530 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.300 28.511 24.227 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.571 28.914 25.911 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.077 28.866 26.305 1.00 0.29 H new ATOM 0 HG3 LYS B 19 17.833 28.416 24.629 1.00 0.29 H new ATOM 0 HD2 LYS B 19 19.460 26.429 25.097 1.00 0.33 H new ATOM 0 HD3 LYS B 19 19.261 26.810 26.796 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.755 26.602 26.522 1.00 0.95 H new ATOM 0 HE3 LYS B 19 16.993 26.153 24.845 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 16.880 24.124 25.955 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 18.554 24.358 25.792 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.795 24.664 27.279 1.00 1.68 H new ATOM 1601 N PHE B 20 21.821 30.962 23.840 1.00 0.15 N ATOM 1602 CA PHE B 20 23.126 31.670 23.805 1.00 0.15 C ATOM 1603 C PHE B 20 22.930 33.044 23.163 1.00 0.16 C ATOM 1604 O PHE B 20 23.869 33.782 22.938 1.00 0.25 O ATOM 1605 CB PHE B 20 24.113 30.840 22.993 1.00 0.14 C ATOM 1606 CG PHE B 20 24.504 29.614 23.787 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.616 28.535 23.872 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.745 29.554 24.442 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.964 27.397 24.608 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.090 28.414 25.178 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.199 27.336 25.260 1.00 0.14 C ATOM 0 H PHE B 20 21.676 30.278 23.097 1.00 0.15 H new ATOM 0 HA PHE B 20 23.516 31.803 24.814 1.00 0.15 H new ATOM 0 HB2 PHE B 20 23.664 30.546 22.044 1.00 0.14 H new ATOM 0 HB3 PHE B 20 24.997 31.432 22.757 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.661 28.581 23.369 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.432 30.385 24.378 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.278 26.565 24.672 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.044 28.366 25.683 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.467 26.457 25.828 1.00 0.14 H new ATOM 1621 N ARG B 21 21.704 33.394 22.887 1.00 0.15 N ATOM 1622 CA ARG B 21 21.410 34.727 22.280 1.00 0.17 C ATOM 1623 C ARG B 21 22.353 35.021 21.102 1.00 0.14 C ATOM 1624 O ARG B 21 22.831 36.127 20.952 1.00 0.18 O ATOM 1625 CB ARG B 21 21.585 35.812 23.354 1.00 0.23 C ATOM 1626 CG ARG B 21 20.397 35.787 24.341 1.00 0.58 C ATOM 1627 CD ARG B 21 19.281 36.734 23.862 1.00 1.16 C ATOM 1628 NE ARG B 21 19.297 36.821 22.375 1.00 1.87 N ATOM 1629 CZ ARG B 21 18.264 37.305 21.739 1.00 2.62 C ATOM 1630 NH1 ARG B 21 17.216 37.705 22.405 1.00 2.94 N ATOM 1631 NH2 ARG B 21 18.280 37.387 20.437 1.00 3.56 N ATOM 0 H ARG B 21 20.885 32.810 23.057 1.00 0.15 H new ATOM 0 HA ARG B 21 20.387 34.721 21.905 1.00 0.17 H new ATOM 0 HB2 ARG B 21 22.518 35.652 23.894 1.00 0.23 H new ATOM 0 HB3 ARG B 21 21.654 36.792 22.882 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.009 34.772 24.427 1.00 0.58 H new ATOM 0 HG3 ARG B 21 20.734 36.085 25.334 1.00 0.58 H new ATOM 0 HD2 ARG B 21 18.312 36.371 24.204 1.00 1.16 H new ATOM 0 HD3 ARG B 21 19.421 37.724 24.295 1.00 1.16 H new ATOM 0 HE ARG B 21 20.114 36.503 21.854 1.00 1.87 H new ATOM 0 HH11 ARG B 21 17.203 37.640 23.423 1.00 2.94 H new ATOM 0 HH12 ARG B 21 16.410 38.083 21.908 1.00 2.94 H new ATOM 0 HH21 ARG B 21 19.099 37.073 19.916 1.00 3.56 H new ATOM 0 HH22 ARG B 21 17.474 37.765 19.940 1.00 3.56 H new ATOM 1645 N TYR B 22 22.619 34.057 20.255 1.00 0.14 N ATOM 1646 CA TYR B 22 23.521 34.323 19.088 1.00 0.13 C ATOM 1647 C TYR B 22 22.668 34.886 17.921 1.00 0.15 C ATOM 1648 O TYR B 22 21.490 34.600 17.853 1.00 0.16 O ATOM 1649 CB TYR B 22 24.175 33.002 18.638 1.00 0.12 C ATOM 1650 CG TYR B 22 25.438 32.697 19.440 1.00 0.13 C ATOM 1651 CD1 TYR B 22 26.501 33.622 19.511 1.00 0.14 C ATOM 1652 CD2 TYR B 22 25.550 31.469 20.110 1.00 0.14 C ATOM 1653 CE1 TYR B 22 27.651 33.312 20.247 1.00 0.17 C ATOM 1654 CE2 TYR B 22 26.702 31.166 20.842 1.00 0.17 C ATOM 1655 CZ TYR B 22 27.751 32.087 20.911 1.00 0.18 C ATOM 1656 OH TYR B 22 28.887 31.787 21.634 1.00 0.21 O ATOM 0 H TYR B 22 22.255 33.106 20.318 1.00 0.14 H new ATOM 0 HA TYR B 22 24.294 35.037 19.370 1.00 0.13 H new ATOM 0 HB2 TYR B 22 23.463 32.185 18.755 1.00 0.12 H new ATOM 0 HB3 TYR B 22 24.422 33.060 17.578 1.00 0.12 H new ATOM 0 HD1 TYR B 22 26.428 34.569 18.998 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.742 30.754 20.060 1.00 0.14 H new ATOM 0 HE1 TYR B 22 28.463 34.022 20.302 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.781 30.219 21.355 1.00 0.17 H new ATOM 0 HH TYR B 22 29.389 31.081 21.176 1.00 0.21 H new ATOM 1666 N PRO B 23 23.273 35.650 17.020 1.00 0.16 N ATOM 1667 CA PRO B 23 22.535 36.204 15.863 1.00 0.18 C ATOM 1668 C PRO B 23 22.055 35.061 14.952 1.00 0.19 C ATOM 1669 O PRO B 23 22.355 33.908 15.176 1.00 0.19 O ATOM 1670 CB PRO B 23 23.553 37.105 15.128 1.00 0.19 C ATOM 1671 CG PRO B 23 24.934 36.889 15.806 1.00 0.17 C ATOM 1672 CD PRO B 23 24.702 36.029 17.070 1.00 0.15 C ATOM 0 HA PRO B 23 21.649 36.764 16.163 1.00 0.18 H new ATOM 0 HB2 PRO B 23 23.600 36.848 14.070 1.00 0.19 H new ATOM 0 HB3 PRO B 23 23.254 38.152 15.189 1.00 0.19 H new ATOM 0 HG2 PRO B 23 25.622 36.390 15.124 1.00 0.17 H new ATOM 0 HG3 PRO B 23 25.385 37.845 16.070 1.00 0.17 H new ATOM 0 HD2 PRO B 23 25.344 35.148 17.071 1.00 0.15 H new ATOM 0 HD3 PRO B 23 24.930 36.590 17.976 1.00 0.15 H new ATOM 1680 N TRP B 24 21.314 35.385 13.928 1.00 0.22 N ATOM 1681 CA TRP B 24 20.804 34.334 12.994 1.00 0.24 C ATOM 1682 C TRP B 24 21.910 33.904 12.021 1.00 0.25 C ATOM 1683 O TRP B 24 21.792 32.903 11.341 1.00 0.34 O ATOM 1684 CB TRP B 24 19.617 34.900 12.204 1.00 0.28 C ATOM 1685 CG TRP B 24 19.206 33.933 11.137 1.00 0.53 C ATOM 1686 CD1 TRP B 24 19.594 33.996 9.843 1.00 1.45 C ATOM 1687 CD2 TRP B 24 18.338 32.767 11.248 1.00 0.35 C ATOM 1688 NE1 TRP B 24 19.022 32.943 9.152 1.00 1.68 N ATOM 1689 CE2 TRP B 24 18.239 32.157 9.975 1.00 0.93 C ATOM 1690 CE3 TRP B 24 17.636 32.185 12.318 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 17.471 31.011 9.770 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 16.861 31.031 12.116 1.00 1.15 C ATOM 1693 CH2 TRP B 24 16.779 30.445 10.844 1.00 0.63 C ATOM 0 H TRP B 24 21.037 36.338 13.694 1.00 0.22 H new ATOM 0 HA TRP B 24 20.488 33.465 13.570 1.00 0.24 H new ATOM 0 HB2 TRP B 24 18.780 35.091 12.876 1.00 0.28 H new ATOM 0 HB3 TRP B 24 19.890 35.855 11.755 1.00 0.28 H new ATOM 0 HD1 TRP B 24 20.244 34.746 9.418 1.00 1.45 H new ATOM 0 HE1 TRP B 24 19.161 32.768 8.157 1.00 1.68 H new ATOM 0 HE3 TRP B 24 17.693 32.628 13.301 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 17.412 30.564 8.788 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 16.325 30.592 12.945 1.00 1.15 H new ATOM 0 HH2 TRP B 24 16.182 29.558 10.695 1.00 0.63 H new ATOM 1704 N GLU B 25 22.971 34.654 11.932 1.00 0.21 N ATOM 1705 CA GLU B 25 24.063 34.288 10.984 1.00 0.24 C ATOM 1706 C GLU B 25 24.861 33.087 11.509 1.00 0.21 C ATOM 1707 O GLU B 25 25.585 32.451 10.769 1.00 0.24 O ATOM 1708 CB GLU B 25 25.005 35.482 10.815 1.00 0.31 C ATOM 1709 CG GLU B 25 26.160 35.095 9.889 1.00 1.20 C ATOM 1710 CD GLU B 25 26.922 36.352 9.469 1.00 1.43 C ATOM 1711 OE1 GLU B 25 26.349 37.158 8.754 1.00 1.99 O ATOM 1712 OE2 GLU B 25 28.067 36.489 9.870 1.00 1.86 O ATOM 0 H GLU B 25 23.131 35.504 12.473 1.00 0.21 H new ATOM 0 HA GLU B 25 23.617 34.020 10.026 1.00 0.24 H new ATOM 0 HB2 GLU B 25 24.462 36.331 10.401 1.00 0.31 H new ATOM 0 HB3 GLU B 25 25.392 35.794 11.785 1.00 0.31 H new ATOM 0 HG2 GLU B 25 26.831 34.403 10.398 1.00 1.20 H new ATOM 0 HG3 GLU B 25 25.777 34.578 9.009 1.00 1.20 H new ATOM 1719 N LEU B 26 24.755 32.775 12.777 1.00 0.16 N ATOM 1720 CA LEU B 26 25.534 31.620 13.335 1.00 0.15 C ATOM 1721 C LEU B 26 24.681 30.349 13.369 1.00 0.15 C ATOM 1722 O LEU B 26 24.891 29.482 14.194 1.00 0.19 O ATOM 1723 CB LEU B 26 25.983 31.947 14.761 1.00 0.13 C ATOM 1724 CG LEU B 26 26.570 33.360 14.823 1.00 0.13 C ATOM 1725 CD1 LEU B 26 27.264 33.551 16.172 1.00 0.14 C ATOM 1726 CD2 LEU B 26 27.588 33.558 13.694 1.00 0.14 C ATOM 0 H LEU B 26 24.166 33.266 13.450 1.00 0.16 H new ATOM 0 HA LEU B 26 26.398 31.451 12.692 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.137 31.867 15.443 1.00 0.13 H new ATOM 0 HB3 LEU B 26 26.727 31.222 15.090 1.00 0.13 H new ATOM 0 HG LEU B 26 25.768 34.090 14.708 1.00 0.13 H new ATOM 0 HD11 LEU B 26 27.685 34.555 16.225 1.00 0.14 H new ATOM 0 HD12 LEU B 26 26.540 33.418 16.976 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.062 32.816 16.278 1.00 0.14 H new ATOM 0 HD21 LEU B 26 27.999 34.566 13.747 1.00 0.14 H new ATOM 0 HD22 LEU B 26 28.394 32.831 13.799 1.00 0.14 H new ATOM 0 HD23 LEU B 26 27.096 33.417 12.732 1.00 0.14 H new ATOM 1738 N MET B 27 23.729 30.216 12.490 1.00 0.15 N ATOM 1739 CA MET B 27 22.897 28.989 12.503 1.00 0.17 C ATOM 1740 C MET B 27 23.726 27.760 12.043 1.00 0.14 C ATOM 1741 O MET B 27 23.578 26.700 12.617 1.00 0.19 O ATOM 1742 CB MET B 27 21.652 29.195 11.608 1.00 0.20 C ATOM 1743 CG MET B 27 20.480 29.709 12.451 1.00 0.39 C ATOM 1744 SD MET B 27 19.909 28.396 13.553 1.00 1.31 S ATOM 1745 CE MET B 27 18.715 27.665 12.411 1.00 0.45 C ATOM 0 H MET B 27 23.494 30.899 11.770 1.00 0.15 H new ATOM 0 HA MET B 27 22.562 28.794 13.522 1.00 0.17 H new ATOM 0 HB2 MET B 27 21.879 29.906 10.814 1.00 0.20 H new ATOM 0 HB3 MET B 27 21.380 28.255 11.127 1.00 0.20 H new ATOM 0 HG2 MET B 27 20.790 30.577 13.032 1.00 0.39 H new ATOM 0 HG3 MET B 27 19.666 30.033 11.802 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.533 26.627 12.690 1.00 0.45 H new ATOM 0 HE2 MET B 27 17.780 28.223 12.457 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.111 27.704 11.396 1.00 0.45 H new ATOM 1755 N PRO B 28 24.577 27.908 11.036 1.00 0.09 N ATOM 1756 CA PRO B 28 25.400 26.773 10.553 1.00 0.09 C ATOM 1757 C PRO B 28 26.252 26.183 11.688 1.00 0.09 C ATOM 1758 O PRO B 28 26.627 25.030 11.650 1.00 0.14 O ATOM 1759 CB PRO B 28 26.277 27.377 9.434 1.00 0.10 C ATOM 1760 CG PRO B 28 25.656 28.752 9.085 1.00 0.12 C ATOM 1761 CD PRO B 28 24.797 29.168 10.290 1.00 0.12 C ATOM 0 HA PRO B 28 24.792 25.945 10.189 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.308 27.490 9.768 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.294 26.726 8.560 1.00 0.10 H new ATOM 0 HG2 PRO B 28 26.434 29.490 8.891 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.049 28.684 8.182 1.00 0.12 H new ATOM 0 HD2 PRO B 28 25.307 29.910 10.904 1.00 0.12 H new ATOM 0 HD3 PRO B 28 23.854 29.612 9.972 1.00 0.12 H new ATOM 1769 N LEU B 29 26.559 26.950 12.700 1.00 0.10 N ATOM 1770 CA LEU B 29 27.375 26.394 13.820 1.00 0.09 C ATOM 1771 C LEU B 29 26.450 25.621 14.756 1.00 0.10 C ATOM 1772 O LEU B 29 26.695 24.476 15.080 1.00 0.16 O ATOM 1773 CB LEU B 29 28.061 27.527 14.584 1.00 0.08 C ATOM 1774 CG LEU B 29 28.731 28.477 13.589 1.00 0.09 C ATOM 1775 CD1 LEU B 29 29.482 29.566 14.357 1.00 0.12 C ATOM 1776 CD2 LEU B 29 29.717 27.691 12.710 1.00 0.09 C ATOM 0 H LEU B 29 26.284 27.927 12.800 1.00 0.10 H new ATOM 0 HA LEU B 29 28.144 25.731 13.424 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.331 28.069 15.186 1.00 0.08 H new ATOM 0 HB3 LEU B 29 28.803 27.120 15.271 1.00 0.08 H new ATOM 0 HG LEU B 29 27.972 28.936 12.955 1.00 0.09 H new ATOM 0 HD11 LEU B 29 29.961 30.245 13.651 1.00 0.12 H new ATOM 0 HD12 LEU B 29 28.780 30.123 14.977 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.241 29.107 14.990 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.193 28.369 12.002 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.478 27.230 13.340 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.180 26.915 12.164 1.00 0.09 H new ATOM 1788 N MET B 30 25.376 26.228 15.177 1.00 0.10 N ATOM 1789 CA MET B 30 24.427 25.516 16.067 1.00 0.12 C ATOM 1790 C MET B 30 24.017 24.211 15.381 1.00 0.10 C ATOM 1791 O MET B 30 23.505 23.299 15.999 1.00 0.13 O ATOM 1792 CB MET B 30 23.183 26.386 16.276 1.00 0.16 C ATOM 1793 CG MET B 30 23.542 27.663 17.027 1.00 0.19 C ATOM 1794 SD MET B 30 24.175 27.258 18.674 1.00 1.23 S ATOM 1795 CE MET B 30 25.559 28.418 18.682 1.00 0.22 C ATOM 0 H MET B 30 25.117 27.186 14.942 1.00 0.10 H new ATOM 0 HA MET B 30 24.892 25.310 17.031 1.00 0.12 H new ATOM 0 HB2 MET B 30 22.742 26.637 15.311 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.432 25.828 16.835 1.00 0.16 H new ATOM 0 HG2 MET B 30 24.291 28.224 16.469 1.00 0.19 H new ATOM 0 HG3 MET B 30 22.664 28.303 17.113 1.00 0.19 H new ATOM 0 HE1 MET B 30 25.898 28.573 19.706 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.377 28.013 18.086 1.00 0.22 H new ATOM 0 HE3 MET B 30 25.239 29.370 18.258 1.00 0.22 H new ATOM 1805 N TYR B 31 24.235 24.132 14.096 1.00 0.08 N ATOM 1806 CA TYR B 31 23.858 22.909 13.333 1.00 0.08 C ATOM 1807 C TYR B 31 24.911 21.816 13.546 1.00 0.08 C ATOM 1808 O TYR B 31 24.604 20.721 13.976 1.00 0.09 O ATOM 1809 CB TYR B 31 23.767 23.270 11.844 1.00 0.09 C ATOM 1810 CG TYR B 31 23.657 22.024 10.998 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.400 21.474 10.723 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.812 21.426 10.481 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.299 20.324 9.931 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.712 20.277 9.689 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.454 19.725 9.414 1.00 0.11 C ATOM 1816 OH TYR B 31 23.354 18.592 8.632 1.00 0.13 O ATOM 0 H TYR B 31 24.663 24.871 13.537 1.00 0.08 H new ATOM 0 HA TYR B 31 22.896 22.534 13.682 1.00 0.08 H new ATOM 0 HB2 TYR B 31 22.901 23.910 11.672 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.648 23.840 11.548 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.509 21.936 11.121 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.781 21.852 10.694 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.329 19.899 9.719 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.604 19.816 9.290 1.00 0.11 H new ATOM 0 HH TYR B 31 24.249 18.306 8.354 1.00 0.13 H new ATOM 1826 N VAL B 32 26.147 22.098 13.243 1.00 0.08 N ATOM 1827 CA VAL B 32 27.211 21.070 13.421 1.00 0.08 C ATOM 1828 C VAL B 32 27.223 20.575 14.871 1.00 0.08 C ATOM 1829 O VAL B 32 27.204 19.391 15.129 1.00 0.10 O ATOM 1830 CB VAL B 32 28.572 21.680 13.064 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.663 20.613 13.207 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.533 22.187 11.615 1.00 0.08 C ATOM 0 H VAL B 32 26.467 22.996 12.880 1.00 0.08 H new ATOM 0 HA VAL B 32 27.010 20.224 12.764 1.00 0.08 H new ATOM 0 HB VAL B 32 28.791 22.510 13.735 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.631 21.046 12.953 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.686 20.251 14.235 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.450 19.782 12.534 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.498 22.622 11.356 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.318 21.355 10.944 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.755 22.944 11.515 1.00 0.08 H new ATOM 1842 N ILE B 33 27.259 21.464 15.820 1.00 0.08 N ATOM 1843 CA ILE B 33 27.274 21.029 17.245 1.00 0.08 C ATOM 1844 C ILE B 33 26.188 19.953 17.479 1.00 0.09 C ATOM 1845 O ILE B 33 26.496 18.817 17.781 1.00 0.10 O ATOM 1846 CB ILE B 33 27.054 22.263 18.132 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.231 23.227 17.916 1.00 0.09 C ATOM 1848 CG2 ILE B 33 27.002 21.855 19.605 1.00 0.09 C ATOM 1849 CD1 ILE B 33 27.998 24.558 18.644 1.00 0.08 C ATOM 0 H ILE B 33 27.279 22.473 15.673 1.00 0.08 H new ATOM 0 HA ILE B 33 28.234 20.580 17.500 1.00 0.08 H new ATOM 0 HB ILE B 33 26.110 22.741 17.868 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.151 22.768 18.277 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.363 23.411 16.850 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.846 22.740 20.222 1.00 0.09 H new ATOM 0 HG22 ILE B 33 26.181 21.155 19.760 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.942 21.379 19.884 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.847 25.220 18.473 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.090 25.027 18.264 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.891 24.374 19.713 1.00 0.08 H new ATOM 1861 N LEU B 34 24.929 20.287 17.332 1.00 0.08 N ATOM 1862 CA LEU B 34 23.842 19.267 17.536 1.00 0.09 C ATOM 1863 C LEU B 34 24.140 18.019 16.682 1.00 0.12 C ATOM 1864 O LEU B 34 23.820 16.911 17.064 1.00 0.16 O ATOM 1865 CB LEU B 34 22.488 19.898 17.092 1.00 0.10 C ATOM 1866 CG LEU B 34 21.566 20.372 18.275 1.00 0.10 C ATOM 1867 CD1 LEU B 34 22.334 20.659 19.580 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.831 21.649 17.845 1.00 0.11 C ATOM 0 H LEU B 34 24.603 21.220 17.080 1.00 0.08 H new ATOM 0 HA LEU B 34 23.791 18.973 18.584 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.695 20.751 16.446 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.942 19.169 16.493 1.00 0.10 H new ATOM 0 HG LEU B 34 20.876 19.555 18.486 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.634 20.981 20.351 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.844 19.754 19.909 1.00 0.10 H new ATOM 0 HD13 LEU B 34 23.068 21.446 19.405 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.187 21.989 18.656 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.559 22.426 17.609 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.224 21.440 16.964 1.00 0.11 H new ATOM 1880 N LYS B 35 24.726 18.188 15.531 1.00 0.13 N ATOM 1881 CA LYS B 35 25.011 17.007 14.661 1.00 0.17 C ATOM 1882 C LYS B 35 25.799 15.940 15.432 1.00 0.19 C ATOM 1883 O LYS B 35 25.494 14.766 15.357 1.00 0.28 O ATOM 1884 CB LYS B 35 25.813 17.457 13.431 1.00 0.16 C ATOM 1885 CG LYS B 35 25.721 16.386 12.325 1.00 0.19 C ATOM 1886 CD LYS B 35 24.488 16.634 11.445 1.00 0.26 C ATOM 1887 CE LYS B 35 24.200 15.389 10.604 1.00 0.70 C ATOM 1888 NZ LYS B 35 25.391 15.069 9.767 1.00 1.58 N ATOM 0 H LYS B 35 25.020 19.088 15.153 1.00 0.13 H new ATOM 0 HA LYS B 35 24.064 16.572 14.343 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.427 18.407 13.062 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.855 17.621 13.705 1.00 0.16 H new ATOM 0 HG2 LYS B 35 26.623 16.407 11.713 1.00 0.19 H new ATOM 0 HG3 LYS B 35 25.663 15.394 12.774 1.00 0.19 H new ATOM 0 HD2 LYS B 35 23.626 16.872 12.068 1.00 0.26 H new ATOM 0 HD3 LYS B 35 24.659 17.493 10.796 1.00 0.26 H new ATOM 0 HE2 LYS B 35 23.961 14.546 11.253 1.00 0.70 H new ATOM 0 HE3 LYS B 35 23.331 15.559 9.969 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 25.117 14.409 9.012 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 25.763 15.943 9.345 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 26.125 14.631 10.360 1.00 1.58 H new ATOM 1902 N ASP B 36 26.816 16.323 16.157 1.00 0.23 N ATOM 1903 CA ASP B 36 27.624 15.310 16.908 1.00 0.28 C ATOM 1904 C ASP B 36 27.031 15.055 18.294 1.00 0.26 C ATOM 1905 O ASP B 36 27.121 13.963 18.821 1.00 0.39 O ATOM 1906 CB ASP B 36 29.053 15.820 17.050 1.00 0.34 C ATOM 1907 CG ASP B 36 29.542 16.290 15.683 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.870 17.119 15.091 1.00 1.92 O ATOM 1909 OD2 ASP B 36 30.576 15.813 15.247 1.00 1.96 O ATOM 0 H ASP B 36 27.124 17.290 16.263 1.00 0.23 H new ATOM 0 HA ASP B 36 27.612 14.371 16.354 1.00 0.28 H new ATOM 0 HB2 ASP B 36 29.092 16.639 17.768 1.00 0.34 H new ATOM 0 HB3 ASP B 36 29.700 15.030 17.432 1.00 0.34 H new ATOM 1914 N ALA B 37 26.439 16.044 18.902 1.00 0.21 N ATOM 1915 CA ALA B 37 25.867 15.834 20.258 1.00 0.21 C ATOM 1916 C ALA B 37 24.552 15.074 20.150 1.00 0.20 C ATOM 1917 O ALA B 37 23.622 15.324 20.891 1.00 0.24 O ATOM 1918 CB ALA B 37 25.602 17.191 20.897 1.00 0.22 C ATOM 0 H ALA B 37 26.327 16.983 18.520 1.00 0.21 H new ATOM 0 HA ALA B 37 26.569 15.261 20.864 1.00 0.21 H new ATOM 0 HB1 ALA B 37 25.182 17.049 21.893 1.00 0.22 H new ATOM 0 HB2 ALA B 37 26.537 17.746 20.974 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.897 17.751 20.283 1.00 0.22 H new ATOM 1924 N ASP B 38 24.450 14.157 19.231 1.00 0.20 N ATOM 1925 CA ASP B 38 23.175 13.409 19.089 1.00 0.21 C ATOM 1926 C ASP B 38 22.041 14.431 19.001 1.00 0.18 C ATOM 1927 O ASP B 38 20.888 14.137 19.249 1.00 0.21 O ATOM 1928 CB ASP B 38 22.983 12.502 20.316 1.00 0.28 C ATOM 1929 CG ASP B 38 22.097 11.306 19.952 1.00 1.00 C ATOM 1930 OD1 ASP B 38 21.285 11.448 19.053 1.00 1.86 O ATOM 1931 OD2 ASP B 38 22.247 10.271 20.580 1.00 1.59 O ATOM 0 H ASP B 38 25.188 13.895 18.578 1.00 0.20 H new ATOM 0 HA ASP B 38 23.183 12.786 18.195 1.00 0.21 H new ATOM 0 HB2 ASP B 38 23.951 12.152 20.674 1.00 0.28 H new ATOM 0 HB3 ASP B 38 22.528 13.068 21.129 1.00 0.28 H new ATOM 1936 N ALA B 39 22.391 15.641 18.666 1.00 0.14 N ATOM 1937 CA ALA B 39 21.390 16.728 18.570 1.00 0.14 C ATOM 1938 C ALA B 39 20.753 16.947 19.942 1.00 0.15 C ATOM 1939 O ALA B 39 19.777 17.657 20.080 1.00 0.18 O ATOM 1940 CB ALA B 39 20.319 16.368 17.546 1.00 0.16 C ATOM 0 H ALA B 39 23.348 15.923 18.452 1.00 0.14 H new ATOM 0 HA ALA B 39 21.882 17.646 18.247 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.589 17.175 17.484 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.783 16.223 16.570 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.819 15.449 17.850 1.00 0.16 H new ATOM 1946 N ASN B 40 21.307 16.347 20.961 1.00 0.15 N ATOM 1947 CA ASN B 40 20.746 16.525 22.328 1.00 0.18 C ATOM 1948 C ASN B 40 21.165 17.897 22.853 1.00 0.15 C ATOM 1949 O ASN B 40 22.282 18.090 23.291 1.00 0.15 O ATOM 1950 CB ASN B 40 21.286 15.430 23.252 1.00 0.23 C ATOM 1951 CG ASN B 40 20.430 15.358 24.518 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.697 16.383 24.855 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 20.429 14.358 25.209 1.00 1.32 N flip ATOM 0 H ASN B 40 22.125 15.741 20.904 1.00 0.15 H new ATOM 0 HA ASN B 40 19.659 16.456 22.297 1.00 0.18 H new ATOM 0 HB2 ASN B 40 21.275 14.469 22.738 1.00 0.23 H new ATOM 0 HB3 ASN B 40 22.323 15.640 23.514 1.00 0.23 H new ATOM 0 HD21 ASN B 40 21.002 13.556 24.946 1.00 1.32 H new ATOM 0 HD22 ASN B 40 19.855 14.321 26.052 1.00 1.32 H new ATOM 1960 N ILE B 41 20.286 18.855 22.795 1.00 0.15 N ATOM 1961 CA ILE B 41 20.644 20.217 23.271 1.00 0.15 C ATOM 1962 C ILE B 41 21.276 20.140 24.665 1.00 0.15 C ATOM 1963 O ILE B 41 22.336 20.684 24.892 1.00 0.14 O ATOM 1964 CB ILE B 41 19.388 21.102 23.282 1.00 0.19 C ATOM 1965 CG1 ILE B 41 19.045 21.452 21.821 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.657 22.379 24.102 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.780 22.310 21.747 1.00 0.24 C ATOM 0 H ILE B 41 19.336 18.754 22.439 1.00 0.15 H new ATOM 0 HA ILE B 41 21.376 20.659 22.595 1.00 0.15 H new ATOM 0 HB ILE B 41 18.550 20.579 23.743 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.879 21.986 21.366 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.902 20.536 21.247 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.763 23.003 24.107 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.915 22.107 25.125 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.483 22.931 23.654 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.559 22.544 20.705 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.943 21.763 22.181 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.935 23.236 22.301 1.00 0.24 H new ATOM 1979 N GLU B 42 20.651 19.473 25.600 1.00 0.17 N ATOM 1980 CA GLU B 42 21.246 19.382 26.965 1.00 0.17 C ATOM 1981 C GLU B 42 22.724 19.017 26.844 1.00 0.16 C ATOM 1982 O GLU B 42 23.576 19.618 27.467 1.00 0.18 O ATOM 1983 CB GLU B 42 20.516 18.309 27.775 1.00 0.20 C ATOM 1984 CG GLU B 42 19.052 18.714 27.960 1.00 0.30 C ATOM 1985 CD GLU B 42 18.293 17.581 28.651 1.00 1.03 C ATOM 1986 OE1 GLU B 42 18.844 16.497 28.746 1.00 1.65 O ATOM 1987 OE2 GLU B 42 17.173 17.816 29.074 1.00 1.78 O ATOM 0 H GLU B 42 19.761 18.991 25.478 1.00 0.17 H new ATOM 0 HA GLU B 42 21.146 20.342 27.472 1.00 0.17 H new ATOM 0 HB2 GLU B 42 20.576 17.349 27.263 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.995 18.183 28.746 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.988 19.625 28.555 1.00 0.30 H new ATOM 0 HG3 GLU B 42 18.599 18.933 26.993 1.00 0.30 H new ATOM 1994 N GLU B 43 23.035 18.050 26.028 1.00 0.16 N ATOM 1995 CA GLU B 43 24.458 17.662 25.849 1.00 0.16 C ATOM 1996 C GLU B 43 25.187 18.794 25.123 1.00 0.14 C ATOM 1997 O GLU B 43 26.113 19.381 25.644 1.00 0.20 O ATOM 1998 CB GLU B 43 24.540 16.373 25.023 1.00 0.18 C ATOM 1999 CG GLU B 43 25.917 15.729 25.210 1.00 0.30 C ATOM 2000 CD GLU B 43 26.002 15.101 26.603 1.00 1.21 C ATOM 2001 OE1 GLU B 43 25.161 14.272 26.909 1.00 1.89 O ATOM 2002 OE2 GLU B 43 26.905 15.461 27.339 1.00 1.96 O ATOM 0 H GLU B 43 22.365 17.513 25.478 1.00 0.16 H new ATOM 0 HA GLU B 43 24.923 17.488 26.819 1.00 0.16 H new ATOM 0 HB2 GLU B 43 23.758 15.680 25.334 1.00 0.18 H new ATOM 0 HB3 GLU B 43 24.371 16.593 23.969 1.00 0.18 H new ATOM 0 HG2 GLU B 43 26.082 14.969 24.446 1.00 0.30 H new ATOM 0 HG3 GLU B 43 26.700 16.478 25.089 1.00 0.30 H new ATOM 2009 N ALA B 44 24.769 19.110 23.926 1.00 0.12 N ATOM 2010 CA ALA B 44 25.435 20.209 23.169 1.00 0.12 C ATOM 2011 C ALA B 44 25.516 21.462 24.049 1.00 0.12 C ATOM 2012 O ALA B 44 26.571 22.037 24.229 1.00 0.14 O ATOM 2013 CB ALA B 44 24.633 20.521 21.897 1.00 0.13 C ATOM 0 H ALA B 44 23.996 18.655 23.440 1.00 0.12 H new ATOM 0 HA ALA B 44 26.442 19.897 22.891 1.00 0.12 H new ATOM 0 HB1 ALA B 44 25.122 21.324 21.346 1.00 0.13 H new ATOM 0 HB2 ALA B 44 24.583 19.630 21.271 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.624 20.830 22.170 1.00 0.13 H new ATOM 2019 N SER B 45 24.412 21.892 24.593 1.00 0.12 N ATOM 2020 CA SER B 45 24.433 23.111 25.455 1.00 0.16 C ATOM 2021 C SER B 45 25.569 22.994 26.471 1.00 0.15 C ATOM 2022 O SER B 45 26.241 23.958 26.780 1.00 0.16 O ATOM 2023 CB SER B 45 23.103 23.245 26.202 1.00 0.19 C ATOM 2024 OG SER B 45 23.154 22.465 27.390 1.00 0.82 O ATOM 0 H SER B 45 23.497 21.455 24.480 1.00 0.12 H new ATOM 0 HA SER B 45 24.585 23.989 24.828 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.913 24.290 26.447 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.281 22.911 25.569 1.00 0.19 H new ATOM 0 HG SER B 45 23.274 21.521 27.157 1.00 0.82 H new ATOM 2030 N ARG B 46 25.788 21.821 26.995 1.00 0.17 N ATOM 2031 CA ARG B 46 26.877 21.646 27.993 1.00 0.20 C ATOM 2032 C ARG B 46 28.236 21.724 27.288 1.00 0.17 C ATOM 2033 O ARG B 46 29.246 22.006 27.901 1.00 0.23 O ATOM 2034 CB ARG B 46 26.706 20.292 28.696 1.00 0.24 C ATOM 2035 CG ARG B 46 25.475 20.354 29.628 1.00 0.84 C ATOM 2036 CD ARG B 46 24.860 18.964 29.861 1.00 1.21 C ATOM 2037 NE ARG B 46 25.551 18.302 31.020 1.00 1.63 N ATOM 2038 CZ ARG B 46 26.771 17.856 30.940 1.00 2.08 C ATOM 2039 NH1 ARG B 46 27.378 17.802 29.788 1.00 2.50 N ATOM 2040 NH2 ARG B 46 27.371 17.411 32.010 1.00 2.80 N ATOM 0 H ARG B 46 25.260 20.977 26.775 1.00 0.17 H new ATOM 0 HA ARG B 46 26.829 22.438 28.740 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.579 19.500 27.958 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.600 20.052 29.271 1.00 0.24 H new ATOM 0 HG2 ARG B 46 25.766 20.787 30.585 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.724 21.015 29.194 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.793 19.055 30.063 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.963 18.353 28.964 1.00 1.21 H new ATOM 0 HE ARG B 46 25.046 18.199 31.900 1.00 1.63 H new ATOM 0 HH11 ARG B 46 26.897 18.110 28.943 1.00 2.50 H new ATOM 0 HH12 ARG B 46 28.334 17.452 29.731 1.00 2.50 H new ATOM 0 HH21 ARG B 46 26.884 17.413 32.906 1.00 2.80 H new ATOM 0 HH22 ARG B 46 28.327 17.061 31.950 1.00 2.80 H new ATOM 2054 N ARG B 47 28.268 21.503 25.998 1.00 0.13 N ATOM 2055 CA ARG B 47 29.562 21.596 25.259 1.00 0.12 C ATOM 2056 C ARG B 47 29.897 23.074 25.060 1.00 0.11 C ATOM 2057 O ARG B 47 30.908 23.567 25.518 1.00 0.12 O ATOM 2058 CB ARG B 47 29.435 20.927 23.886 1.00 0.15 C ATOM 2059 CG ARG B 47 29.113 19.442 24.054 1.00 0.32 C ATOM 2060 CD ARG B 47 29.229 18.744 22.697 1.00 0.54 C ATOM 2061 NE ARG B 47 29.051 17.276 22.879 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.844 16.509 21.843 1.00 1.20 C ATOM 2063 NH1 ARG B 47 28.795 17.028 20.647 1.00 1.81 N ATOM 2064 NH2 ARG B 47 28.688 15.224 22.003 1.00 1.62 N ATOM 0 H ARG B 47 27.457 21.263 25.427 1.00 0.13 H new ATOM 0 HA ARG B 47 30.345 21.094 25.828 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.651 21.414 23.306 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.364 21.045 23.328 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.799 18.988 24.769 1.00 0.32 H new ATOM 0 HG3 ARG B 47 28.107 19.319 24.455 1.00 0.32 H new ATOM 0 HD2 ARG B 47 28.475 19.131 22.011 1.00 0.54 H new ATOM 0 HD3 ARG B 47 30.202 18.951 22.251 1.00 0.54 H new ATOM 0 HE ARG B 47 29.091 16.870 23.814 1.00 0.95 H new ATOM 0 HH11 ARG B 47 28.918 18.033 20.522 1.00 1.81 H new ATOM 0 HH12 ARG B 47 28.633 16.429 19.837 1.00 1.81 H new ATOM 0 HH21 ARG B 47 28.728 14.818 22.938 1.00 1.62 H new ATOM 0 HH22 ARG B 47 28.526 14.625 21.193 1.00 1.62 H new ATOM 2078 N ILE B 48 29.035 23.781 24.384 1.00 0.10 N ATOM 2079 CA ILE B 48 29.260 25.236 24.144 1.00 0.09 C ATOM 2080 C ILE B 48 29.679 25.905 25.453 1.00 0.10 C ATOM 2081 O ILE B 48 30.705 26.550 25.533 1.00 0.10 O ATOM 2082 CB ILE B 48 27.961 25.850 23.629 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.488 25.034 22.418 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.212 27.303 23.222 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.293 25.716 21.755 1.00 0.10 C ATOM 0 H ILE B 48 28.174 23.409 23.983 1.00 0.10 H new ATOM 0 HA ILE B 48 30.049 25.383 23.407 1.00 0.09 H new ATOM 0 HB ILE B 48 27.196 25.833 24.405 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.301 24.931 21.700 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.212 24.028 22.734 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.285 27.743 22.854 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.564 27.867 24.086 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.966 27.336 22.436 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.968 25.127 20.898 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.476 25.796 22.472 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.582 26.713 21.422 1.00 0.10 H new ATOM 2097 N GLU B 49 28.898 25.744 26.482 1.00 0.10 N ATOM 2098 CA GLU B 49 29.254 26.357 27.795 1.00 0.11 C ATOM 2099 C GLU B 49 30.701 26.012 28.127 1.00 0.11 C ATOM 2100 O GLU B 49 31.548 26.875 28.249 1.00 0.12 O ATOM 2101 CB GLU B 49 28.362 25.767 28.878 1.00 0.13 C ATOM 2102 CG GLU B 49 26.957 26.368 28.787 1.00 0.14 C ATOM 2103 CD GLU B 49 26.134 25.928 29.999 1.00 0.16 C ATOM 2104 OE1 GLU B 49 26.285 24.790 30.412 1.00 1.10 O ATOM 2105 OE2 GLU B 49 25.368 26.738 30.495 1.00 1.07 O ATOM 0 H GLU B 49 28.027 25.214 26.473 1.00 0.10 H new ATOM 0 HA GLU B 49 29.122 27.438 27.743 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.311 24.684 28.768 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.789 25.967 29.861 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.017 27.456 28.750 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.470 26.044 27.867 1.00 0.14 H new ATOM 2112 N GLU B 50 30.991 24.746 28.254 1.00 0.12 N ATOM 2113 CA GLU B 50 32.385 24.329 28.556 1.00 0.12 C ATOM 2114 C GLU B 50 33.294 25.010 27.547 1.00 0.11 C ATOM 2115 O GLU B 50 34.472 25.177 27.761 1.00 0.11 O ATOM 2116 CB GLU B 50 32.511 22.809 28.429 1.00 0.14 C ATOM 2117 CG GLU B 50 33.853 22.358 29.010 1.00 0.17 C ATOM 2118 CD GLU B 50 33.805 22.449 30.536 1.00 1.14 C ATOM 2119 OE1 GLU B 50 34.104 23.511 31.056 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.471 21.454 31.158 1.00 1.78 O ATOM 0 H GLU B 50 30.320 23.983 28.161 1.00 0.12 H new ATOM 0 HA GLU B 50 32.660 24.612 29.572 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.692 22.320 28.956 1.00 0.14 H new ATOM 0 HB3 GLU B 50 32.438 22.514 27.382 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.069 21.335 28.703 1.00 0.17 H new ATOM 0 HG3 GLU B 50 34.657 22.983 28.623 1.00 0.17 H new ATOM 2127 N GLY B 51 32.731 25.419 26.449 1.00 0.10 N ATOM 2128 CA GLY B 51 33.542 26.117 25.409 1.00 0.09 C ATOM 2129 C GLY B 51 33.704 27.579 25.821 1.00 0.09 C ATOM 2130 O GLY B 51 34.801 28.083 25.958 1.00 0.10 O ATOM 0 H GLY B 51 31.743 25.302 26.223 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.518 25.642 25.307 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.052 26.049 24.438 1.00 0.09 H new ATOM 2134 N GLN B 52 32.609 28.258 26.040 1.00 0.10 N ATOM 2135 CA GLN B 52 32.675 29.687 26.470 1.00 0.11 C ATOM 2136 C GLN B 52 33.683 29.809 27.601 1.00 0.11 C ATOM 2137 O GLN B 52 34.526 30.682 27.613 1.00 0.13 O ATOM 2138 CB GLN B 52 31.295 30.124 26.958 1.00 0.13 C ATOM 2139 CG GLN B 52 30.283 29.919 25.830 1.00 0.19 C ATOM 2140 CD GLN B 52 30.533 30.950 24.729 1.00 0.54 C ATOM 2141 OE1 GLN B 52 31.281 31.888 24.917 1.00 1.37 O ATOM 2142 NE2 GLN B 52 29.933 30.815 23.579 1.00 0.74 N ATOM 0 H GLN B 52 31.666 27.882 25.939 1.00 0.10 H new ATOM 0 HA GLN B 52 32.980 30.321 25.637 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.005 29.545 27.835 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.316 31.171 27.260 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.372 28.911 25.426 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.268 30.020 26.214 1.00 0.19 H new ATOM 0 HE21 GLN B 52 29.305 30.027 23.421 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.092 31.497 22.838 1.00 0.74 H new ATOM 2151 N TYR B 53 33.607 28.923 28.544 1.00 0.11 N ATOM 2152 CA TYR B 53 34.572 28.968 29.674 1.00 0.13 C ATOM 2153 C TYR B 53 35.997 28.809 29.117 1.00 0.13 C ATOM 2154 O TYR B 53 36.870 29.600 29.406 1.00 0.16 O ATOM 2155 CB TYR B 53 34.248 27.846 30.680 1.00 0.14 C ATOM 2156 CG TYR B 53 35.450 27.573 31.556 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.447 26.714 31.097 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.575 28.186 32.807 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.574 26.458 31.878 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.706 27.934 33.596 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.707 27.070 33.131 1.00 0.25 C ATOM 2162 OH TYR B 53 38.821 26.822 33.906 1.00 0.30 O ATOM 0 H TYR B 53 32.921 28.169 28.585 1.00 0.11 H new ATOM 0 HA TYR B 53 34.498 29.923 30.194 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.396 28.134 31.296 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.963 26.939 30.146 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.346 26.243 30.130 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.803 28.851 33.164 1.00 0.22 H new ATOM 0 HE1 TYR B 53 38.342 25.790 31.518 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.806 28.406 34.562 1.00 0.26 H new ATOM 0 HH TYR B 53 38.756 27.326 34.744 1.00 0.30 H new ATOM 2172 N VAL B 54 36.240 27.796 28.323 1.00 0.11 N ATOM 2173 CA VAL B 54 37.616 27.607 27.763 1.00 0.12 C ATOM 2174 C VAL B 54 38.104 28.922 27.162 1.00 0.12 C ATOM 2175 O VAL B 54 39.139 29.439 27.526 1.00 0.13 O ATOM 2176 CB VAL B 54 37.612 26.536 26.654 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.031 26.426 26.082 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.163 25.153 27.203 1.00 0.12 C ATOM 0 H VAL B 54 35.553 27.097 28.040 1.00 0.11 H new ATOM 0 HA VAL B 54 38.274 27.286 28.571 1.00 0.12 H new ATOM 0 HB VAL B 54 36.905 26.832 25.879 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.049 25.672 25.295 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.333 27.389 25.669 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.722 26.139 26.875 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.171 24.421 26.396 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.847 24.834 27.989 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.155 25.233 27.610 1.00 0.12 H new ATOM 2188 N VAL B 55 37.370 29.459 26.233 1.00 0.11 N ATOM 2189 CA VAL B 55 37.793 30.732 25.592 1.00 0.11 C ATOM 2190 C VAL B 55 37.827 31.852 26.636 1.00 0.14 C ATOM 2191 O VAL B 55 38.857 32.438 26.897 1.00 0.17 O ATOM 2192 CB VAL B 55 36.798 31.090 24.483 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.347 32.251 23.646 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.586 29.868 23.585 1.00 0.10 C ATOM 0 H VAL B 55 36.492 29.071 25.888 1.00 0.11 H new ATOM 0 HA VAL B 55 38.790 30.613 25.167 1.00 0.11 H new ATOM 0 HB VAL B 55 35.850 31.389 24.929 1.00 0.11 H new ATOM 0 HG11 VAL B 55 36.635 32.501 22.859 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.501 33.120 24.286 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.296 31.959 23.197 1.00 0.13 H new ATOM 0 HG21 VAL B 55 35.879 30.116 22.794 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.537 29.573 23.142 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.191 29.044 24.179 1.00 0.10 H new ATOM 2204 N ASN B 56 36.709 32.158 27.232 1.00 0.16 N ATOM 2205 CA ASN B 56 36.678 33.248 28.249 1.00 0.20 C ATOM 2206 C ASN B 56 37.749 33.006 29.318 1.00 0.22 C ATOM 2207 O ASN B 56 38.318 33.935 29.856 1.00 0.31 O ATOM 2208 CB ASN B 56 35.299 33.289 28.909 1.00 0.26 C ATOM 2209 CG ASN B 56 34.263 33.773 27.893 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.569 33.942 26.729 1.00 1.35 O ATOM 2211 ND2 ASN B 56 33.040 34.005 28.285 1.00 0.91 N ATOM 0 H ASN B 56 35.814 31.701 27.059 1.00 0.16 H new ATOM 0 HA ASN B 56 36.879 34.199 27.756 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.030 32.298 29.276 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.316 33.954 29.772 1.00 0.26 H new ATOM 0 HD21 ASN B 56 32.342 34.328 27.615 1.00 0.91 H new ATOM 0 HD22 ASN B 56 32.782 33.864 29.262 1.00 0.91 H new ATOM 2218 N GLU B 57 38.024 31.771 29.640 1.00 0.19 N ATOM 2219 CA GLU B 57 39.053 31.482 30.685 1.00 0.22 C ATOM 2220 C GLU B 57 40.445 31.428 30.056 1.00 0.22 C ATOM 2221 O GLU B 57 41.399 31.962 30.586 1.00 0.27 O ATOM 2222 CB GLU B 57 38.750 30.126 31.334 1.00 0.25 C ATOM 2223 CG GLU B 57 39.725 29.872 32.493 1.00 0.55 C ATOM 2224 CD GLU B 57 41.064 29.367 31.947 1.00 1.65 C ATOM 2225 OE1 GLU B 57 41.070 28.318 31.324 1.00 2.39 O ATOM 2226 OE2 GLU B 57 42.060 30.039 32.161 1.00 2.43 O ATOM 0 H GLU B 57 37.583 30.950 29.227 1.00 0.19 H new ATOM 0 HA GLU B 57 39.026 32.273 31.434 1.00 0.22 H new ATOM 0 HB2 GLU B 57 37.724 30.110 31.700 1.00 0.25 H new ATOM 0 HB3 GLU B 57 38.837 29.331 30.593 1.00 0.25 H new ATOM 0 HG2 GLU B 57 39.877 30.791 33.060 1.00 0.55 H new ATOM 0 HG3 GLU B 57 39.303 29.139 33.181 1.00 0.55 H new ATOM 2233 N TYR B 58 40.575 30.763 28.945 1.00 0.20 N ATOM 2234 CA TYR B 58 41.913 30.648 28.300 1.00 0.24 C ATOM 2235 C TYR B 58 42.287 31.953 27.587 1.00 0.24 C ATOM 2236 O TYR B 58 43.441 32.197 27.297 1.00 0.33 O ATOM 2237 CB TYR B 58 41.889 29.494 27.289 1.00 0.29 C ATOM 2238 CG TYR B 58 43.302 29.072 26.977 1.00 0.97 C ATOM 2239 CD1 TYR B 58 44.046 29.793 26.044 1.00 2.18 C ATOM 2240 CD2 TYR B 58 43.866 27.966 27.623 1.00 0.61 C ATOM 2241 CE1 TYR B 58 45.361 29.412 25.750 1.00 2.88 C ATOM 2242 CE2 TYR B 58 45.180 27.583 27.332 1.00 1.22 C ATOM 2243 CZ TYR B 58 45.929 28.306 26.395 1.00 2.36 C ATOM 2244 OH TYR B 58 47.225 27.929 26.107 1.00 3.06 O ATOM 0 H TYR B 58 39.814 30.294 28.454 1.00 0.20 H new ATOM 0 HA TYR B 58 42.659 30.452 29.070 1.00 0.24 H new ATOM 0 HB2 TYR B 58 41.328 28.652 27.695 1.00 0.29 H new ATOM 0 HB3 TYR B 58 41.381 29.806 26.376 1.00 0.29 H new ATOM 0 HD1 TYR B 58 43.608 30.646 25.548 1.00 2.18 H new ATOM 0 HD2 TYR B 58 43.288 27.409 28.345 1.00 0.61 H new ATOM 0 HE1 TYR B 58 45.937 29.970 25.027 1.00 2.88 H new ATOM 0 HE2 TYR B 58 45.617 26.730 27.830 1.00 1.22 H new ATOM 0 HH TYR B 58 47.464 27.144 26.642 1.00 3.06 H new ATOM 2254 N SER B 59 41.333 32.791 27.301 1.00 0.27 N ATOM 2255 CA SER B 59 41.660 34.071 26.603 1.00 0.34 C ATOM 2256 C SER B 59 42.376 35.018 27.566 1.00 0.37 C ATOM 2257 O SER B 59 43.463 35.489 27.292 1.00 0.52 O ATOM 2258 CB SER B 59 40.380 34.740 26.104 1.00 0.41 C ATOM 2259 OG SER B 59 40.723 35.864 25.306 1.00 1.45 O ATOM 0 H SER B 59 40.346 32.650 27.517 1.00 0.27 H new ATOM 0 HA SER B 59 42.308 33.850 25.755 1.00 0.34 H new ATOM 0 HB2 SER B 59 39.788 34.033 25.523 1.00 0.41 H new ATOM 0 HB3 SER B 59 39.765 35.052 26.948 1.00 0.41 H new ATOM 0 HG SER B 59 39.906 36.296 24.981 1.00 1.45 H new ATOM 2265 N ARG B 60 41.775 35.310 28.689 1.00 0.42 N ATOM 2266 CA ARG B 60 42.422 36.236 29.664 1.00 0.54 C ATOM 2267 C ARG B 60 43.889 35.840 29.850 1.00 0.61 C ATOM 2268 O ARG B 60 44.712 36.642 30.244 1.00 0.78 O ATOM 2269 CB ARG B 60 41.692 36.168 31.008 1.00 0.66 C ATOM 2270 CG ARG B 60 41.435 34.707 31.386 1.00 0.93 C ATOM 2271 CD ARG B 60 40.698 34.644 32.728 1.00 1.26 C ATOM 2272 NE ARG B 60 40.862 33.287 33.320 1.00 1.94 N ATOM 2273 CZ ARG B 60 40.581 33.086 34.579 1.00 2.56 C ATOM 2274 NH1 ARG B 60 40.145 34.071 35.315 1.00 2.77 N ATOM 2275 NH2 ARG B 60 40.735 31.901 35.101 1.00 3.52 N ATOM 0 H ARG B 60 40.865 34.948 28.973 1.00 0.42 H new ATOM 0 HA ARG B 60 42.369 37.256 29.282 1.00 0.54 H new ATOM 0 HB2 ARG B 60 42.288 36.654 31.781 1.00 0.66 H new ATOM 0 HB3 ARG B 60 40.748 36.709 30.947 1.00 0.66 H new ATOM 0 HG2 ARG B 60 40.843 34.219 30.612 1.00 0.93 H new ATOM 0 HG3 ARG B 60 42.379 34.167 31.453 1.00 0.93 H new ATOM 0 HD2 ARG B 60 41.092 35.399 33.408 1.00 1.26 H new ATOM 0 HD3 ARG B 60 39.640 34.865 32.585 1.00 1.26 H new ATOM 0 HE ARG B 60 41.194 32.515 32.742 1.00 1.94 H new ATOM 0 HH11 ARG B 60 40.024 34.998 34.907 1.00 2.77 H new ATOM 0 HH12 ARG B 60 39.925 33.914 36.299 1.00 2.77 H new ATOM 0 HH21 ARG B 60 41.075 31.131 34.526 1.00 3.52 H new ATOM 0 HH22 ARG B 60 40.515 31.745 36.085 1.00 3.52 H new ATOM 2289 N GLN B 61 44.225 34.614 29.556 1.00 0.61 N ATOM 2290 CA GLN B 61 45.642 34.180 29.703 1.00 0.76 C ATOM 2291 C GLN B 61 46.514 35.041 28.789 1.00 0.85 C ATOM 2292 O GLN B 61 47.663 35.310 29.079 1.00 1.06 O ATOM 2293 CB GLN B 61 45.772 32.708 29.301 1.00 0.79 C ATOM 2294 CG GLN B 61 47.138 32.172 29.741 1.00 1.26 C ATOM 2295 CD GLN B 61 47.129 31.912 31.249 1.00 1.65 C ATOM 2296 OE1 GLN B 61 46.075 32.234 31.949 1.00 2.28 O flip ATOM 2297 NE2 GLN B 61 48.091 31.410 31.797 1.00 2.31 N flip ATOM 0 H GLN B 61 43.582 33.897 29.222 1.00 0.61 H new ATOM 0 HA GLN B 61 45.962 34.295 30.739 1.00 0.76 H new ATOM 0 HB2 GLN B 61 44.976 32.123 29.762 1.00 0.79 H new ATOM 0 HB3 GLN B 61 45.660 32.604 28.222 1.00 0.79 H new ATOM 0 HG2 GLN B 61 47.368 31.251 29.205 1.00 1.26 H new ATOM 0 HG3 GLN B 61 47.919 32.890 29.491 1.00 1.26 H new ATOM 0 HE21 GLN B 61 48.915 31.158 31.251 1.00 2.31 H new ATOM 0 HE22 GLN B 61 48.074 31.241 32.803 1.00 2.31 H new ATOM 2306 N HIS B 62 45.970 35.482 27.686 1.00 0.79 N ATOM 2307 CA HIS B 62 46.756 36.334 26.752 1.00 0.97 C ATOM 2308 C HIS B 62 46.856 37.746 27.328 1.00 1.01 C ATOM 2309 O HIS B 62 47.459 38.625 26.745 1.00 1.27 O ATOM 2310 CB HIS B 62 46.051 36.391 25.395 1.00 1.05 C ATOM 2311 CG HIS B 62 46.194 35.068 24.695 1.00 1.28 C ATOM 2312 ND1 HIS B 62 46.887 34.002 25.257 1.00 1.77 N ATOM 2313 CD2 HIS B 62 45.743 34.621 23.477 1.00 1.57 C ATOM 2314 CE1 HIS B 62 46.832 32.978 24.385 1.00 1.97 C ATOM 2315 NE2 HIS B 62 46.147 33.306 23.289 1.00 1.83 N ATOM 0 H HIS B 62 45.013 35.287 27.393 1.00 0.79 H new ATOM 0 HA HIS B 62 47.754 35.914 26.625 1.00 0.97 H new ATOM 0 HB2 HIS B 62 44.996 36.629 25.532 1.00 1.05 H new ATOM 0 HB3 HIS B 62 46.480 37.185 24.784 1.00 1.05 H new ATOM 0 HD2 HIS B 62 45.164 35.202 22.775 1.00 1.57 H new ATOM 0 HE1 HIS B 62 47.286 32.012 24.552 1.00 1.97 H new ATOM 0 HE2 HIS B 62 45.959 32.714 22.480 1.00 1.83 H new ATOM 2323 N ASN B 63 46.264 37.968 28.470 1.00 1.00 N ATOM 2324 CA ASN B 63 46.316 39.320 29.094 1.00 1.16 C ATOM 2325 C ASN B 63 45.727 40.354 28.132 1.00 1.28 C ATOM 2326 O ASN B 63 46.323 41.381 27.872 1.00 1.86 O ATOM 2327 CB ASN B 63 47.771 39.683 29.409 1.00 1.33 C ATOM 2328 CG ASN B 63 47.804 40.873 30.370 1.00 1.93 C ATOM 2329 OD1 ASN B 63 47.738 40.701 31.571 1.00 2.59 O ATOM 2330 ND2 ASN B 63 47.905 42.081 29.888 1.00 2.66 N ATOM 0 H ASN B 63 45.745 37.268 28.999 1.00 1.00 H new ATOM 0 HA ASN B 63 45.736 39.314 30.017 1.00 1.16 H new ATOM 0 HB2 ASN B 63 48.282 38.829 29.853 1.00 1.33 H new ATOM 0 HB3 ASN B 63 48.303 39.929 28.490 1.00 1.33 H new ATOM 0 HD21 ASN B 63 47.929 42.882 30.519 1.00 2.66 H new ATOM 0 HD22 ASN B 63 47.960 42.225 28.880 1.00 2.66 H new ATOM 2337 N LEU B 64 44.561 40.095 27.600 1.00 1.29 N ATOM 2338 CA LEU B 64 43.944 41.073 26.658 1.00 1.43 C ATOM 2339 C LEU B 64 43.955 42.468 27.294 1.00 1.74 C ATOM 2340 O LEU B 64 44.402 42.647 28.409 1.00 2.20 O ATOM 2341 CB LEU B 64 42.499 40.655 26.336 1.00 1.43 C ATOM 2342 CG LEU B 64 41.791 40.129 27.594 1.00 1.54 C ATOM 2343 CD1 LEU B 64 41.724 41.228 28.665 1.00 1.59 C ATOM 2344 CD2 LEU B 64 40.371 39.692 27.219 1.00 2.41 C ATOM 0 H LEU B 64 44.013 39.253 27.776 1.00 1.29 H new ATOM 0 HA LEU B 64 44.518 41.092 25.731 1.00 1.43 H new ATOM 0 HB2 LEU B 64 41.950 41.506 25.933 1.00 1.43 H new ATOM 0 HB3 LEU B 64 42.502 39.884 25.565 1.00 1.43 H new ATOM 0 HG LEU B 64 42.349 39.283 27.995 1.00 1.54 H new ATOM 0 HD11 LEU B 64 41.220 40.842 29.551 1.00 1.59 H new ATOM 0 HD12 LEU B 64 42.734 41.541 28.929 1.00 1.59 H new ATOM 0 HD13 LEU B 64 41.170 42.082 28.276 1.00 1.59 H new ATOM 0 HD21 LEU B 64 39.860 39.317 28.106 1.00 2.41 H new ATOM 0 HD22 LEU B 64 39.822 40.544 26.817 1.00 2.41 H new ATOM 0 HD23 LEU B 64 40.419 38.904 26.467 1.00 2.41 H new ATOM 2356 N ASN B 65 43.467 43.459 26.597 1.00 2.14 N ATOM 2357 CA ASN B 65 43.454 44.837 27.172 1.00 2.59 C ATOM 2358 C ASN B 65 42.346 45.655 26.510 1.00 3.01 C ATOM 2359 O ASN B 65 41.711 46.481 27.136 1.00 3.52 O ATOM 2360 CB ASN B 65 44.805 45.510 26.917 1.00 3.25 C ATOM 2361 CG ASN B 65 44.802 46.908 27.536 1.00 3.82 C ATOM 2362 OD1 ASN B 65 43.809 47.340 28.087 1.00 4.30 O ATOM 2363 ND2 ASN B 65 45.880 47.641 27.470 1.00 4.34 N ATOM 0 H ASN B 65 43.078 43.376 25.658 1.00 2.14 H new ATOM 0 HA ASN B 65 43.273 44.780 28.245 1.00 2.59 H new ATOM 0 HB2 ASN B 65 45.608 44.912 27.347 1.00 3.25 H new ATOM 0 HB3 ASN B 65 44.995 45.575 25.846 1.00 3.25 H new ATOM 0 HD21 ASN B 65 45.888 48.575 27.881 1.00 4.34 H new ATOM 0 HD22 ASN B 65 46.715 47.280 27.008 1.00 4.34 H new ATOM 2370 N ILE B 66 42.107 45.432 25.249 1.00 0.00 N ATOM 2371 CA ILE B 66 41.041 46.197 24.546 1.00 0.00 C ATOM 2372 C ILE B 66 39.736 46.081 25.337 1.00 0.00 C ATOM 2373 O ILE B 66 39.045 47.055 25.562 1.00 0.00 O ATOM 2374 CB ILE B 66 40.845 45.626 23.136 1.00 0.00 C ATOM 2375 CG1 ILE B 66 42.081 45.936 22.276 1.00 0.00 C ATOM 2376 CG2 ILE B 66 39.613 46.267 22.490 1.00 0.00 C ATOM 2377 CD1 ILE B 66 43.296 45.131 22.760 1.00 0.00 C ATOM 0 H ILE B 66 42.604 44.752 24.674 1.00 0.00 H new ATOM 0 HA ILE B 66 41.329 47.245 24.470 1.00 0.00 H new ATOM 0 HB ILE B 66 40.706 44.547 23.203 1.00 0.00 H new ATOM 0 HG12 ILE B 66 41.873 45.698 21.233 1.00 0.00 H new ATOM 0 HG13 ILE B 66 42.304 47.002 22.321 1.00 0.00 H new ATOM 0 HG21 ILE B 66 39.475 45.861 21.488 1.00 0.00 H new ATOM 0 HG22 ILE B 66 38.732 46.051 23.094 1.00 0.00 H new ATOM 0 HG23 ILE B 66 39.755 47.346 22.427 1.00 0.00 H new ATOM 0 HD11 ILE B 66 44.159 45.366 22.137 1.00 0.00 H new ATOM 0 HD12 ILE B 66 43.515 45.390 23.796 1.00 0.00 H new ATOM 0 HD13 ILE B 66 43.078 44.065 22.690 1.00 0.00 H new ATOM 2389 N TYR B 67 39.396 44.897 25.760 1.00 0.00 N ATOM 2390 CA TYR B 67 38.139 44.712 26.537 1.00 0.00 C ATOM 2391 C TYR B 67 38.371 45.131 27.991 1.00 0.00 C ATOM 2392 O TYR B 67 38.869 46.205 28.266 1.00 0.00 O ATOM 2393 CB TYR B 67 37.724 43.240 26.489 1.00 0.00 C ATOM 2394 CG TYR B 67 37.675 42.779 25.052 1.00 0.00 C ATOM 2395 CD1 TYR B 67 38.824 42.263 24.442 1.00 0.00 C ATOM 2396 CD2 TYR B 67 36.479 42.868 24.331 1.00 0.00 C ATOM 2397 CE1 TYR B 67 38.777 41.836 23.109 1.00 0.00 C ATOM 2398 CE2 TYR B 67 36.432 42.442 22.999 1.00 0.00 C ATOM 2399 CZ TYR B 67 37.581 41.926 22.387 1.00 0.00 C ATOM 2400 OH TYR B 67 37.534 41.506 21.074 1.00 0.00 O ATOM 0 H TYR B 67 39.936 44.046 25.601 1.00 0.00 H new ATOM 0 HA TYR B 67 37.350 45.327 26.105 1.00 0.00 H new ATOM 0 HB2 TYR B 67 38.432 42.633 27.053 1.00 0.00 H new ATOM 0 HB3 TYR B 67 36.748 43.110 26.957 1.00 0.00 H new ATOM 0 HD1 TYR B 67 39.747 42.194 24.999 1.00 0.00 H new ATOM 0 HD2 TYR B 67 35.592 43.265 24.803 1.00 0.00 H new ATOM 0 HE1 TYR B 67 39.663 41.437 22.638 1.00 0.00 H new ATOM 0 HE2 TYR B 67 35.509 42.511 22.443 1.00 0.00 H new ATOM 0 HH TYR B 67 36.629 41.637 20.721 1.00 0.00 H new ATOM 2410 N ASP B 68 38.014 44.293 28.926 1.00 0.00 N ATOM 2411 CA ASP B 68 38.214 44.644 30.359 1.00 0.00 C ATOM 2412 C ASP B 68 39.667 45.071 30.581 1.00 0.00 C ATOM 2413 O ASP B 68 40.011 46.228 30.448 1.00 0.00 O ATOM 2414 CB ASP B 68 37.901 43.426 31.231 1.00 0.00 C ATOM 2415 CG ASP B 68 36.410 43.097 31.133 1.00 0.00 C ATOM 2416 OD1 ASP B 68 35.617 43.879 31.633 1.00 0.00 O ATOM 2417 OD2 ASP B 68 36.086 42.070 30.560 1.00 0.00 O ATOM 0 H ASP B 68 37.592 43.380 28.758 1.00 0.00 H new ATOM 0 HA ASP B 68 37.549 45.464 30.629 1.00 0.00 H new ATOM 0 HB2 ASP B 68 38.495 42.571 30.907 1.00 0.00 H new ATOM 0 HB3 ASP B 68 38.172 43.628 32.267 1.00 0.00 H new ATOM 2422 N GLY B 69 40.521 44.144 30.917 1.00 0.00 N ATOM 2423 CA GLY B 69 41.951 44.496 31.147 1.00 0.00 C ATOM 2424 C GLY B 69 42.110 45.115 32.537 1.00 0.00 C ATOM 2425 O GLY B 69 41.981 46.310 32.713 1.00 0.00 O ATOM 0 H GLY B 69 40.291 43.158 31.042 1.00 0.00 H new ATOM 0 HA2 GLY B 69 42.574 43.605 31.061 1.00 0.00 H new ATOM 0 HA3 GLY B 69 42.291 45.197 30.385 1.00 0.00 H new ATOM 2429 N GLY B 70 42.389 44.311 33.526 1.00 0.00 N ATOM 2430 CA GLY B 70 42.555 44.855 34.904 1.00 0.00 C ATOM 2431 C GLY B 70 43.190 43.793 35.803 1.00 0.00 C ATOM 2432 O GLY B 70 43.494 44.041 36.953 1.00 0.00 O ATOM 0 H GLY B 70 42.509 43.302 33.440 1.00 0.00 H new ATOM 0 HA2 GLY B 70 43.181 45.747 34.880 1.00 0.00 H new ATOM 0 HA3 GLY B 70 41.587 45.155 35.306 1.00 0.00 H new ATOM 2436 N GLU B 71 43.394 42.610 35.290 1.00 0.00 N ATOM 2437 CA GLU B 71 44.009 41.535 36.119 1.00 0.00 C ATOM 2438 C GLU B 71 45.509 41.804 36.270 1.00 0.00 C ATOM 2439 O GLU B 71 46.329 40.930 36.070 1.00 0.00 O ATOM 2440 CB GLU B 71 43.794 40.180 35.435 1.00 0.00 C ATOM 2441 CG GLU B 71 44.031 39.051 36.443 1.00 0.00 C ATOM 2442 CD GLU B 71 43.981 37.703 35.721 1.00 0.00 C ATOM 2443 OE1 GLU B 71 44.780 37.506 34.820 1.00 0.00 O ATOM 2444 OE2 GLU B 71 43.145 36.891 36.082 1.00 0.00 O ATOM 0 H GLU B 71 43.162 42.342 34.334 1.00 0.00 H new ATOM 0 HA GLU B 71 43.544 41.521 37.105 1.00 0.00 H new ATOM 0 HB2 GLU B 71 42.781 40.119 35.037 1.00 0.00 H new ATOM 0 HB3 GLU B 71 44.475 40.076 34.590 1.00 0.00 H new ATOM 0 HG2 GLU B 71 44.998 39.180 36.928 1.00 0.00 H new ATOM 0 HG3 GLU B 71 43.274 39.084 37.227 1.00 0.00 H new ATOM 2451 N LEU B 72 45.874 43.009 36.619 1.00 0.00 N ATOM 2452 CA LEU B 72 47.322 43.338 36.782 1.00 0.00 C ATOM 2453 C LEU B 72 47.748 43.077 38.228 1.00 0.00 C ATOM 2454 O LEU B 72 46.932 42.820 39.091 1.00 0.00 O ATOM 2455 CB LEU B 72 47.551 44.814 36.444 1.00 0.00 C ATOM 2456 CG LEU B 72 46.934 45.132 35.078 1.00 0.00 C ATOM 2457 CD1 LEU B 72 47.139 46.617 34.764 1.00 0.00 C ATOM 2458 CD2 LEU B 72 47.607 44.279 33.992 1.00 0.00 C ATOM 0 H LEU B 72 45.232 43.781 36.799 1.00 0.00 H new ATOM 0 HA LEU B 72 47.912 42.713 36.111 1.00 0.00 H new ATOM 0 HB2 LEU B 72 47.105 45.446 37.212 1.00 0.00 H new ATOM 0 HB3 LEU B 72 48.619 45.033 36.432 1.00 0.00 H new ATOM 0 HG LEU B 72 45.868 44.906 35.100 1.00 0.00 H new ATOM 0 HD11 LEU B 72 46.701 46.847 33.793 1.00 0.00 H new ATOM 0 HD12 LEU B 72 46.656 47.221 35.532 1.00 0.00 H new ATOM 0 HD13 LEU B 72 48.206 46.841 34.744 1.00 0.00 H new ATOM 0 HD21 LEU B 72 47.165 44.509 33.023 1.00 0.00 H new ATOM 0 HD22 LEU B 72 48.674 44.500 33.965 1.00 0.00 H new ATOM 0 HD23 LEU B 72 47.460 43.222 34.216 1.00 0.00 H new ATOM 2470 N ARG B 73 49.025 43.139 38.497 1.00 0.00 N ATOM 2471 CA ARG B 73 49.516 42.893 39.885 1.00 0.00 C ATOM 2472 C ARG B 73 49.471 44.198 40.682 1.00 0.00 C ATOM 2473 O ARG B 73 49.030 44.235 41.813 1.00 0.00 O ATOM 2474 CB ARG B 73 50.956 42.367 39.822 1.00 0.00 C ATOM 2475 CG ARG B 73 51.926 43.495 39.448 1.00 0.00 C ATOM 2476 CD ARG B 73 53.280 42.895 39.066 1.00 0.00 C ATOM 2477 NE ARG B 73 54.288 43.985 38.940 1.00 0.00 N ATOM 2478 CZ ARG B 73 55.561 43.697 38.920 1.00 0.00 C ATOM 2479 NH1 ARG B 73 55.949 42.455 39.012 1.00 0.00 N ATOM 2480 NH2 ARG B 73 56.444 44.651 38.807 1.00 0.00 N ATOM 0 H ARG B 73 49.752 43.350 37.813 1.00 0.00 H new ATOM 0 HA ARG B 73 48.882 42.155 40.377 1.00 0.00 H new ATOM 0 HB2 ARG B 73 51.237 41.943 40.786 1.00 0.00 H new ATOM 0 HB3 ARG B 73 51.024 41.563 39.089 1.00 0.00 H new ATOM 0 HG2 ARG B 73 51.525 44.074 38.616 1.00 0.00 H new ATOM 0 HG3 ARG B 73 52.044 44.181 40.287 1.00 0.00 H new ATOM 0 HD2 ARG B 73 53.598 42.177 39.822 1.00 0.00 H new ATOM 0 HD3 ARG B 73 53.197 42.352 38.125 1.00 0.00 H new ATOM 0 HE ARG B 73 53.983 44.956 38.869 1.00 0.00 H new ATOM 0 HH11 ARG B 73 55.258 41.710 39.099 1.00 0.00 H new ATOM 0 HH12 ARG B 73 56.944 42.229 38.996 1.00 0.00 H new ATOM 0 HH21 ARG B 73 56.139 45.622 38.734 1.00 0.00 H new ATOM 0 HH22 ARG B 73 57.439 44.426 38.791 1.00 0.00 H new ATOM 2494 N ASN B 74 49.932 45.266 40.094 1.00 0.00 N ATOM 2495 CA ASN B 74 49.929 46.580 40.804 1.00 0.00 C ATOM 2496 C ASN B 74 48.579 46.795 41.492 1.00 0.00 C ATOM 2497 O ASN B 74 47.545 46.394 40.994 1.00 0.00 O ATOM 2498 CB ASN B 74 50.169 47.703 39.793 1.00 0.00 C ATOM 2499 CG ASN B 74 49.042 47.709 38.759 1.00 0.00 C ATOM 2500 OD1 ASN B 74 49.093 46.986 37.783 1.00 0.00 O ATOM 2501 ND2 ASN B 74 48.018 48.499 38.932 1.00 0.00 N ATOM 0 H ASN B 74 50.313 45.288 39.148 1.00 0.00 H new ATOM 0 HA ASN B 74 50.720 46.586 41.554 1.00 0.00 H new ATOM 0 HB2 ASN B 74 50.212 48.664 40.305 1.00 0.00 H new ATOM 0 HB3 ASN B 74 51.130 47.562 39.298 1.00 0.00 H new ATOM 0 HD21 ASN B 74 47.261 48.510 38.249 1.00 0.00 H new ATOM 0 HD22 ASN B 74 47.975 49.106 39.751 1.00 0.00 H new ATOM 2508 N THR B 75 48.580 47.425 42.635 1.00 0.00 N ATOM 2509 CA THR B 75 47.299 47.665 43.356 1.00 0.00 C ATOM 2510 C THR B 75 46.512 48.770 42.647 1.00 0.00 C ATOM 2511 O THR B 75 45.443 48.540 42.117 1.00 0.00 O ATOM 2512 CB THR B 75 47.595 48.094 44.795 1.00 0.00 C ATOM 2513 OG1 THR B 75 48.570 47.225 45.355 1.00 0.00 O ATOM 2514 CG2 THR B 75 46.312 48.026 45.624 1.00 0.00 C ATOM 0 H THR B 75 49.414 47.784 43.101 1.00 0.00 H new ATOM 0 HA THR B 75 46.711 46.747 43.364 1.00 0.00 H new ATOM 0 HB THR B 75 47.973 49.116 44.799 1.00 0.00 H new ATOM 0 HG1 THR B 75 48.762 47.499 46.276 1.00 0.00 H new ATOM 0 HG21 THR B 75 46.524 48.332 46.649 1.00 0.00 H new ATOM 0 HG22 THR B 75 45.565 48.693 45.194 1.00 0.00 H new ATOM 0 HG23 THR B 75 45.931 47.005 45.622 1.00 0.00 H new ATOM 2522 N THR B 76 47.032 49.967 42.632 1.00 0.00 N ATOM 2523 CA THR B 76 46.310 51.082 41.957 1.00 0.00 C ATOM 2524 C THR B 76 47.232 52.299 41.850 1.00 0.00 C ATOM 2525 O THR B 76 48.381 52.256 42.243 1.00 0.00 O ATOM 2526 CB THR B 76 45.069 51.453 42.773 1.00 0.00 C ATOM 2527 OG1 THR B 76 44.399 52.538 42.145 1.00 0.00 O ATOM 2528 CG2 THR B 76 45.489 51.859 44.186 1.00 0.00 C ATOM 0 H THR B 76 47.924 50.221 43.057 1.00 0.00 H new ATOM 0 HA THR B 76 46.009 50.767 40.958 1.00 0.00 H new ATOM 0 HB THR B 76 44.399 50.595 42.828 1.00 0.00 H new ATOM 0 HG1 THR B 76 44.615 53.371 42.613 1.00 0.00 H new ATOM 0 HG21 THR B 76 44.605 52.123 44.767 1.00 0.00 H new ATOM 0 HG22 THR B 76 46.003 51.026 44.666 1.00 0.00 H new ATOM 0 HG23 THR B 76 46.159 52.717 44.134 1.00 0.00 H new ATOM 2536 N ARG B 77 46.738 53.384 41.320 1.00 0.00 N ATOM 2537 CA ARG B 77 47.585 54.603 41.187 1.00 0.00 C ATOM 2538 C ARG B 77 48.873 54.252 40.440 1.00 0.00 C ATOM 2539 O ARG B 77 49.905 54.020 41.038 1.00 0.00 O ATOM 2540 CB ARG B 77 47.932 55.138 42.578 1.00 0.00 C ATOM 2541 CG ARG B 77 48.527 56.548 42.451 1.00 0.00 C ATOM 2542 CD ARG B 77 49.190 56.976 43.781 1.00 0.00 C ATOM 2543 NE ARG B 77 48.808 58.387 44.116 1.00 0.00 N ATOM 2544 CZ ARG B 77 48.859 59.338 43.219 1.00 0.00 C ATOM 2545 NH1 ARG B 77 49.343 59.104 42.030 1.00 0.00 N ATOM 2546 NH2 ARG B 77 48.451 60.539 43.526 1.00 0.00 N ATOM 0 H ARG B 77 45.784 53.479 40.973 1.00 0.00 H new ATOM 0 HA ARG B 77 47.039 55.365 40.630 1.00 0.00 H new ATOM 0 HB2 ARG B 77 47.039 55.164 43.203 1.00 0.00 H new ATOM 0 HB3 ARG B 77 48.644 54.474 43.067 1.00 0.00 H new ATOM 0 HG2 ARG B 77 49.263 56.568 41.648 1.00 0.00 H new ATOM 0 HG3 ARG B 77 47.744 57.257 42.183 1.00 0.00 H new ATOM 0 HD2 ARG B 77 48.879 56.307 44.583 1.00 0.00 H new ATOM 0 HD3 ARG B 77 50.274 56.894 43.699 1.00 0.00 H new ATOM 0 HE ARG B 77 48.502 58.610 45.063 1.00 0.00 H new ATOM 0 HH11 ARG B 77 49.686 58.173 41.793 1.00 0.00 H new ATOM 0 HH12 ARG B 77 49.378 59.852 41.338 1.00 0.00 H new ATOM 0 HH21 ARG B 77 48.094 60.733 44.462 1.00 0.00 H new ATOM 0 HH22 ARG B 77 48.489 61.284 42.830 1.00 0.00 H new ATOM 2560 N GLN B 78 48.822 54.212 39.136 1.00 0.00 N ATOM 2561 CA GLN B 78 50.044 53.877 38.353 1.00 0.00 C ATOM 2562 C GLN B 78 51.189 54.800 38.774 1.00 0.00 C ATOM 2563 O GLN B 78 52.330 54.391 38.858 1.00 0.00 O ATOM 2564 CB GLN B 78 49.761 54.063 36.860 1.00 0.00 C ATOM 2565 CG GLN B 78 48.503 53.282 36.477 1.00 0.00 C ATOM 2566 CD GLN B 78 48.393 53.207 34.953 1.00 0.00 C ATOM 2567 OE1 GLN B 78 49.311 52.772 34.287 1.00 0.00 O ATOM 2568 NE2 GLN B 78 47.300 53.615 34.368 1.00 0.00 N ATOM 0 H GLN B 78 47.987 54.397 38.580 1.00 0.00 H new ATOM 0 HA GLN B 78 50.324 52.841 38.543 1.00 0.00 H new ATOM 0 HB2 GLN B 78 49.628 55.121 36.633 1.00 0.00 H new ATOM 0 HB3 GLN B 78 50.611 53.715 36.272 1.00 0.00 H new ATOM 0 HG2 GLN B 78 48.543 52.278 36.899 1.00 0.00 H new ATOM 0 HG3 GLN B 78 47.620 53.768 36.892 1.00 0.00 H new ATOM 0 HE21 GLN B 78 46.529 53.980 34.926 1.00 0.00 H new ATOM 0 HE22 GLN B 78 47.217 53.568 33.352 1.00 0.00 H new ATOM 2577 N CYS B 79 50.895 56.043 39.039 1.00 0.00 N ATOM 2578 CA CYS B 79 51.968 56.990 39.454 1.00 0.00 C ATOM 2579 C CYS B 79 53.136 56.900 38.467 1.00 0.00 C ATOM 2580 O CYS B 79 52.968 57.068 37.276 1.00 0.00 O ATOM 2581 CB CYS B 79 52.453 56.626 40.859 1.00 0.00 C ATOM 2582 SG CYS B 79 53.627 57.877 41.436 1.00 0.00 S ATOM 0 H CYS B 79 49.959 56.444 38.986 1.00 0.00 H new ATOM 0 HA CYS B 79 51.576 58.007 39.459 1.00 0.00 H new ATOM 0 HB2 CYS B 79 51.606 56.564 41.543 1.00 0.00 H new ATOM 0 HB3 CYS B 79 52.927 55.645 40.849 1.00 0.00 H new ATOM 0 HG CYS B 79 54.037 57.569 42.630 1.00 0.00 H new ATOM 2588 N GLY B 80 54.319 56.636 38.952 1.00 0.00 N ATOM 2589 CA GLY B 80 55.493 56.536 38.039 1.00 0.00 C ATOM 2590 C GLY B 80 55.668 57.855 37.285 1.00 0.00 C ATOM 2591 O GLY B 80 55.751 58.882 37.938 1.00 0.00 O ATOM 2592 OXT GLY B 80 55.714 57.816 36.066 1.00 0.00 O ATOM 0 H GLY B 80 54.523 56.485 39.940 1.00 0.00 H new ATOM 0 HA2 GLY B 80 56.393 56.310 38.611 1.00 0.00 H new ATOM 0 HA3 GLY B 80 55.349 55.718 37.333 1.00 0.00 H new TER 2596 GLY B 80