USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 100:sc= 0.143 USER MOD Set 1.2: A 66 ASN : amide:sc= -1.38! C(o=-1.2!,f=-7.5!) USER MOD Set 2.1: A 32 ASN : amide:sc= -1.97 K(o=-1.5,f=-7.1!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -143:sc= 0.48 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0793 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.041 USER MOD Single : A 19 SER OG : rot 133:sc= 1.32 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 25 THR OG1 : rot -4:sc= 0.246 USER MOD Single : A 30 ASN : amide:sc= 0.207 K(o=0.21,f=-0.63) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 166:sc= -0.687 (180deg=-1.05) USER MOD Single : A 39 SER OG : rot 98:sc= 0.535 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -4.15! C(o=-4.2!,f=-4.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc=-0.00964 K(o=-0.0096,f=-0.54) USER MOD Single : A 63 THR OG1 : rot -86:sc= 1.29 USER MOD Single : A 64 GLN : amide:sc= 0.783 K(o=0.78,f=-0.015) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 75 SER OG : rot -163:sc= 1.28 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 81 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.38) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 87 GLN : amide:sc= -0.0266 K(o=-0.027,f=-0.73) USER MOD Single : A 90 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 94 THR OG1 : rot -89:sc= 1.21 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.5!) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.3) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 24:sc= 0.876 USER MOD Single : A 127 SER OG : rot 180:sc=-0.00108 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 26.062 52.261 52.408 1.00 51.31 N ATOM 2 CA GLN A 1 26.524 51.030 51.744 1.00 50.21 C ATOM 3 C GLN A 1 25.574 50.629 50.617 1.00 10.13 C ATOM 4 O GLN A 1 25.987 50.777 49.480 1.00 73.02 O ATOM 5 CB GLN A 1 26.891 49.918 52.739 1.00 43.40 C ATOM 6 CG GLN A 1 25.732 49.222 53.471 1.00 1.54 C ATOM 7 CD GLN A 1 26.204 48.721 54.832 1.00 33.32 C ATOM 8 OE1 GLN A 1 26.329 49.521 55.743 1.00 34.45 O ATOM 9 NE2 GLN A 1 26.475 47.441 55.000 1.00 70.10 N ATOM 0 H1 GLN A 1 26.723 52.514 53.170 1.00 51.31 H new ATOM 0 H2 GLN A 1 26.021 53.035 51.715 1.00 51.31 H new ATOM 0 H3 GLN A 1 25.115 52.105 52.809 1.00 51.31 H new ATOM 0 HA GLN A 1 27.475 51.235 51.252 1.00 50.21 H new ATOM 0 HB2 GLN A 1 27.457 49.157 52.202 1.00 43.40 H new ATOM 0 HB3 GLN A 1 27.559 50.342 53.489 1.00 43.40 H new ATOM 0 HG2 GLN A 1 24.901 49.916 53.597 1.00 1.54 H new ATOM 0 HG3 GLN A 1 25.363 48.388 52.875 1.00 1.54 H new ATOM 0 HE21 GLN A 1 26.363 46.790 54.223 1.00 70.10 H new ATOM 0 HE22 GLN A 1 26.797 47.103 55.907 1.00 70.10 H new ATOM 16 N ALA A 2 24.324 50.221 50.901 1.00 61.10 N ATOM 17 CA ALA A 2 23.369 49.696 49.919 1.00 31.45 C ATOM 18 C ALA A 2 23.990 48.534 49.132 1.00 72.21 C ATOM 19 O ALA A 2 24.314 48.646 47.955 1.00 45.32 O ATOM 20 CB ALA A 2 22.794 50.816 49.036 1.00 3.55 C ATOM 0 H ALA A 2 23.944 50.250 51.847 1.00 61.10 H new ATOM 0 HA ALA A 2 22.509 49.281 50.446 1.00 31.45 H new ATOM 0 HB1 ALA A 2 22.091 50.390 48.320 1.00 3.55 H new ATOM 0 HB2 ALA A 2 22.279 51.545 49.662 1.00 3.55 H new ATOM 0 HB3 ALA A 2 23.605 51.308 48.499 1.00 3.55 H new ATOM 26 N GLN A 3 24.174 47.412 49.824 1.00 31.12 N ATOM 27 CA GLN A 3 24.693 46.160 49.295 1.00 2.23 C ATOM 28 C GLN A 3 23.833 45.049 49.902 1.00 44.21 C ATOM 29 O GLN A 3 23.161 45.281 50.910 1.00 61.42 O ATOM 30 CB GLN A 3 26.168 45.994 49.704 1.00 71.41 C ATOM 31 CG GLN A 3 27.115 47.012 49.048 1.00 54.52 C ATOM 32 CD GLN A 3 28.480 46.995 49.727 1.00 5.13 C ATOM 33 OE1 GLN A 3 28.637 47.542 50.811 1.00 65.00 O ATOM 34 NE2 GLN A 3 29.485 46.370 49.136 1.00 71.01 N ATOM 0 H GLN A 3 23.953 47.352 50.818 1.00 31.12 H new ATOM 0 HA GLN A 3 24.651 46.132 48.206 1.00 2.23 H new ATOM 0 HB2 GLN A 3 26.247 46.085 50.787 1.00 71.41 H new ATOM 0 HB3 GLN A 3 26.496 44.988 49.444 1.00 71.41 H new ATOM 0 HG2 GLN A 3 27.228 46.781 47.989 1.00 54.52 H new ATOM 0 HG3 GLN A 3 26.684 48.011 49.112 1.00 54.52 H new ATOM 0 HE21 GLN A 3 29.344 45.917 48.233 1.00 71.01 H new ATOM 0 HE22 GLN A 3 30.401 46.341 49.583 1.00 71.01 H new ATOM 41 N GLY A 4 23.880 43.850 49.326 1.00 34.41 N ATOM 42 CA GLY A 4 23.138 42.695 49.802 1.00 32.02 C ATOM 43 C GLY A 4 23.348 41.567 48.810 1.00 2.13 C ATOM 44 O GLY A 4 24.254 40.760 48.986 1.00 3.13 O ATOM 0 H GLY A 4 24.447 43.655 48.501 1.00 34.41 H new ATOM 0 HA2 GLY A 4 23.484 42.401 50.793 1.00 32.02 H new ATOM 0 HA3 GLY A 4 22.078 42.932 49.891 1.00 32.02 H new ATOM 48 N VAL A 5 22.586 41.574 47.719 1.00 22.04 N ATOM 49 CA VAL A 5 22.755 40.668 46.592 1.00 11.33 C ATOM 50 C VAL A 5 22.772 41.541 45.339 1.00 1.12 C ATOM 51 O VAL A 5 21.959 42.458 45.217 1.00 43.50 O ATOM 52 CB VAL A 5 21.662 39.573 46.621 1.00 50.53 C ATOM 53 CG1 VAL A 5 20.222 40.115 46.630 1.00 11.25 C ATOM 54 CG2 VAL A 5 21.832 38.582 45.462 1.00 24.43 C ATOM 0 H VAL A 5 21.814 42.229 47.594 1.00 22.04 H new ATOM 0 HA VAL A 5 23.690 40.108 46.624 1.00 11.33 H new ATOM 0 HB VAL A 5 21.809 39.061 47.572 1.00 50.53 H new ATOM 0 HG11 VAL A 5 19.520 39.282 46.651 1.00 11.25 H new ATOM 0 HG12 VAL A 5 20.073 40.737 47.513 1.00 11.25 H new ATOM 0 HG13 VAL A 5 20.052 40.711 45.733 1.00 11.25 H new ATOM 0 HG21 VAL A 5 21.048 37.826 45.512 1.00 24.43 H new ATOM 0 HG22 VAL A 5 21.762 39.115 44.514 1.00 24.43 H new ATOM 0 HG23 VAL A 5 22.807 38.100 45.536 1.00 24.43 H new ATOM 64 N LEU A 6 23.733 41.303 44.445 1.00 22.03 N ATOM 65 CA LEU A 6 23.898 42.019 43.187 1.00 30.34 C ATOM 66 C LEU A 6 24.069 40.942 42.118 1.00 32.45 C ATOM 67 O LEU A 6 25.193 40.595 41.762 1.00 11.23 O ATOM 68 CB LEU A 6 25.115 42.975 43.216 1.00 61.32 C ATOM 69 CG LEU A 6 25.000 44.327 43.951 1.00 41.30 C ATOM 70 CD1 LEU A 6 23.788 45.146 43.491 1.00 44.53 C ATOM 71 CD2 LEU A 6 25.020 44.219 45.483 1.00 33.12 C ATOM 0 H LEU A 6 24.440 40.581 44.585 1.00 22.03 H new ATOM 0 HA LEU A 6 23.036 42.655 42.987 1.00 30.34 H new ATOM 0 HB2 LEU A 6 25.948 42.431 43.661 1.00 61.32 H new ATOM 0 HB3 LEU A 6 25.389 43.187 42.182 1.00 61.32 H new ATOM 0 HG LEU A 6 25.907 44.859 43.666 1.00 41.30 H new ATOM 0 HD11 LEU A 6 23.755 46.087 44.040 1.00 44.53 H new ATOM 0 HD12 LEU A 6 23.871 45.351 42.424 1.00 44.53 H new ATOM 0 HD13 LEU A 6 22.875 44.583 43.682 1.00 44.53 H new ATOM 0 HD21 LEU A 6 24.935 45.214 45.919 1.00 33.12 H new ATOM 0 HD22 LEU A 6 24.183 43.604 45.815 1.00 33.12 H new ATOM 0 HD23 LEU A 6 25.956 43.762 45.803 1.00 33.12 H new ATOM 82 N ALA A 7 22.964 40.358 41.652 1.00 41.32 N ATOM 83 CA ALA A 7 22.949 39.391 40.564 1.00 33.21 C ATOM 84 C ALA A 7 21.580 39.431 39.896 1.00 41.32 C ATOM 85 O ALA A 7 20.610 39.899 40.492 1.00 12.31 O ATOM 86 CB ALA A 7 23.232 37.983 41.107 1.00 3.23 C ATOM 0 H ALA A 7 22.037 40.551 42.031 1.00 41.32 H new ATOM 0 HA ALA A 7 23.722 39.640 39.836 1.00 33.21 H new ATOM 0 HB1 ALA A 7 23.219 37.267 40.285 1.00 3.23 H new ATOM 0 HB2 ALA A 7 24.211 37.968 41.586 1.00 3.23 H new ATOM 0 HB3 ALA A 7 22.467 37.714 41.836 1.00 3.23 H new ATOM 92 N SER A 8 21.503 38.924 38.669 1.00 73.40 N ATOM 93 CA SER A 8 20.281 38.791 37.900 1.00 64.20 C ATOM 94 C SER A 8 20.583 37.833 36.746 1.00 21.34 C ATOM 95 O SER A 8 21.720 37.765 36.276 1.00 51.22 O ATOM 96 CB SER A 8 19.883 40.186 37.397 1.00 32.33 C ATOM 97 OG SER A 8 18.689 40.168 36.634 1.00 62.21 O ATOM 0 H SER A 8 22.324 38.583 38.169 1.00 73.40 H new ATOM 0 HA SER A 8 19.452 38.394 38.486 1.00 64.20 H new ATOM 0 HB2 SER A 8 19.755 40.853 38.249 1.00 32.33 H new ATOM 0 HB3 SER A 8 20.692 40.594 36.791 1.00 32.33 H new ATOM 0 HG SER A 8 18.476 41.078 36.338 1.00 62.21 H new ATOM 102 N GLN A 9 19.563 37.115 36.285 1.00 2.11 N ATOM 103 CA GLN A 9 19.473 36.490 34.976 1.00 73.41 C ATOM 104 C GLN A 9 17.980 36.302 34.701 1.00 11.11 C ATOM 105 O GLN A 9 17.165 36.311 35.636 1.00 61.10 O ATOM 106 CB GLN A 9 20.220 35.139 34.931 1.00 54.20 C ATOM 107 CG GLN A 9 21.336 35.152 33.876 1.00 10.51 C ATOM 108 CD GLN A 9 22.030 33.797 33.768 1.00 31.45 C ATOM 109 OE1 GLN A 9 21.871 33.067 32.797 1.00 73.13 O ATOM 110 NE2 GLN A 9 22.820 33.420 34.762 1.00 45.12 N ATOM 0 H GLN A 9 18.731 36.946 36.850 1.00 2.11 H new ATOM 0 HA GLN A 9 19.945 37.113 34.217 1.00 73.41 H new ATOM 0 HB2 GLN A 9 20.646 34.924 35.911 1.00 54.20 H new ATOM 0 HB3 GLN A 9 19.515 34.339 34.707 1.00 54.20 H new ATOM 0 HG2 GLN A 9 20.917 35.424 32.907 1.00 10.51 H new ATOM 0 HG3 GLN A 9 22.069 35.917 34.132 1.00 10.51 H new ATOM 0 HE21 GLN A 9 22.951 34.030 35.569 1.00 45.12 H new ATOM 0 HE22 GLN A 9 23.298 32.520 34.720 1.00 45.12 H new ATOM 117 N ALA A 10 17.621 36.095 33.441 1.00 72.21 N ATOM 118 CA ALA A 10 16.285 35.769 32.975 1.00 42.42 C ATOM 119 C ALA A 10 16.458 34.917 31.724 1.00 10.13 C ATOM 120 O ALA A 10 17.302 35.236 30.880 1.00 11.45 O ATOM 121 CB ALA A 10 15.507 37.048 32.651 1.00 73.43 C ATOM 0 H ALA A 10 18.294 36.154 32.676 1.00 72.21 H new ATOM 0 HA ALA A 10 15.721 35.233 33.738 1.00 42.42 H new ATOM 0 HB1 ALA A 10 14.507 36.788 32.303 1.00 73.43 H new ATOM 0 HB2 ALA A 10 15.430 37.664 33.547 1.00 73.43 H new ATOM 0 HB3 ALA A 10 16.029 37.604 31.872 1.00 73.43 H new ATOM 127 N LEU A 11 15.669 33.852 31.615 1.00 45.13 N ATOM 128 CA LEU A 11 15.662 32.912 30.503 1.00 54.11 C ATOM 129 C LEU A 11 14.225 32.750 30.031 1.00 25.03 C ATOM 130 O LEU A 11 13.299 32.938 30.822 1.00 44.11 O ATOM 131 CB LEU A 11 16.269 31.548 30.902 1.00 25.02 C ATOM 132 CG LEU A 11 15.453 30.687 31.903 1.00 73.10 C ATOM 133 CD1 LEU A 11 15.857 29.214 31.778 1.00 4.34 C ATOM 134 CD2 LEU A 11 15.654 31.124 33.362 1.00 2.13 C ATOM 0 H LEU A 11 14.986 33.612 32.334 1.00 45.13 H new ATOM 0 HA LEU A 11 16.282 33.302 29.696 1.00 54.11 H new ATOM 0 HB2 LEU A 11 16.419 30.964 29.994 1.00 25.02 H new ATOM 0 HB3 LEU A 11 17.254 31.727 31.332 1.00 25.02 H new ATOM 0 HG LEU A 11 14.402 30.826 31.648 1.00 73.10 H new ATOM 0 HD11 LEU A 11 15.280 28.617 32.484 1.00 4.34 H new ATOM 0 HD12 LEU A 11 15.660 28.867 30.764 1.00 4.34 H new ATOM 0 HD13 LEU A 11 16.919 29.108 31.997 1.00 4.34 H new ATOM 0 HD21 LEU A 11 15.060 30.487 34.018 1.00 2.13 H new ATOM 0 HD22 LEU A 11 16.708 31.035 33.627 1.00 2.13 H new ATOM 0 HD23 LEU A 11 15.337 32.161 33.478 1.00 2.13 H new ATOM 145 N SER A 12 14.032 32.363 28.772 1.00 44.11 N ATOM 146 CA SER A 12 12.753 31.901 28.253 1.00 63.20 C ATOM 147 C SER A 12 13.014 30.966 27.076 1.00 64.24 C ATOM 148 O SER A 12 14.103 30.990 26.487 1.00 51.23 O ATOM 149 CB SER A 12 11.883 33.083 27.810 1.00 72.03 C ATOM 150 OG SER A 12 11.820 34.098 28.802 1.00 43.40 O ATOM 0 H SER A 12 14.776 32.363 28.074 1.00 44.11 H new ATOM 0 HA SER A 12 12.215 31.370 29.038 1.00 63.20 H new ATOM 0 HB2 SER A 12 12.284 33.502 26.887 1.00 72.03 H new ATOM 0 HB3 SER A 12 10.876 32.729 27.589 1.00 72.03 H new ATOM 0 HG SER A 12 11.258 34.834 28.482 1.00 43.40 H new ATOM 155 N GLN A 13 12.026 30.147 26.724 1.00 44.21 N ATOM 156 CA GLN A 13 12.101 29.185 25.636 1.00 30.33 C ATOM 157 C GLN A 13 10.679 28.827 25.206 1.00 11.55 C ATOM 158 O GLN A 13 9.749 28.977 26.001 1.00 30.42 O ATOM 159 CB GLN A 13 12.898 27.957 26.119 1.00 22.33 C ATOM 160 CG GLN A 13 12.289 27.202 27.309 1.00 5.53 C ATOM 161 CD GLN A 13 13.352 26.375 28.027 1.00 30.15 C ATOM 162 OE1 GLN A 13 13.772 25.317 27.558 1.00 13.53 O ATOM 163 NE2 GLN A 13 13.805 26.814 29.188 1.00 31.41 N ATOM 0 H GLN A 13 11.126 30.137 27.204 1.00 44.21 H new ATOM 0 HA GLN A 13 12.618 29.596 24.769 1.00 30.33 H new ATOM 0 HB2 GLN A 13 13.003 27.263 25.285 1.00 22.33 H new ATOM 0 HB3 GLN A 13 13.902 28.281 26.392 1.00 22.33 H new ATOM 0 HG2 GLN A 13 11.842 27.911 28.005 1.00 5.53 H new ATOM 0 HG3 GLN A 13 11.488 26.550 26.960 1.00 5.53 H new ATOM 0 HE21 GLN A 13 13.455 27.691 29.573 1.00 31.41 H new ATOM 0 HE22 GLN A 13 14.505 26.276 29.699 1.00 31.41 H new ATOM 170 N GLY A 14 10.491 28.359 23.973 1.00 61.33 N ATOM 171 CA GLY A 14 9.205 27.931 23.452 1.00 2.14 C ATOM 172 C GLY A 14 9.428 26.840 22.414 1.00 34.15 C ATOM 173 O GLY A 14 10.208 25.911 22.647 1.00 64.44 O ATOM 0 H GLY A 14 11.250 28.267 23.297 1.00 61.33 H new ATOM 0 HA2 GLY A 14 8.577 27.558 24.261 1.00 2.14 H new ATOM 0 HA3 GLY A 14 8.681 28.775 23.004 1.00 2.14 H new ATOM 177 N SER A 15 8.733 26.929 21.284 1.00 53.41 N ATOM 178 CA SER A 15 8.623 25.907 20.259 1.00 23.13 C ATOM 179 C SER A 15 7.865 26.508 19.076 1.00 11.14 C ATOM 180 O SER A 15 7.138 27.492 19.216 1.00 73.01 O ATOM 181 CB SER A 15 7.944 24.638 20.808 1.00 70.40 C ATOM 182 OG SER A 15 7.087 24.899 21.915 1.00 3.42 O ATOM 0 H SER A 15 8.202 27.768 21.050 1.00 53.41 H new ATOM 0 HA SER A 15 9.613 25.593 19.928 1.00 23.13 H new ATOM 0 HB2 SER A 15 7.367 24.168 20.012 1.00 70.40 H new ATOM 0 HB3 SER A 15 8.711 23.924 21.110 1.00 70.40 H new ATOM 0 HG SER A 15 6.683 24.060 22.221 1.00 3.42 H new ATOM 187 N GLU A 16 8.075 25.952 17.895 1.00 54.33 N ATOM 188 CA GLU A 16 7.562 26.415 16.614 1.00 4.54 C ATOM 189 C GLU A 16 7.357 25.204 15.674 1.00 32.31 C ATOM 190 O GLU A 16 8.037 25.099 14.650 1.00 54.52 O ATOM 191 CB GLU A 16 8.585 27.441 16.091 1.00 42.31 C ATOM 192 CG GLU A 16 8.193 28.195 14.819 1.00 75.31 C ATOM 193 CD GLU A 16 7.234 29.358 15.065 1.00 24.00 C ATOM 194 OE1 GLU A 16 6.113 29.099 15.558 1.00 75.25 O ATOM 195 OE2 GLU A 16 7.583 30.509 14.706 1.00 42.32 O ATOM 0 H GLU A 16 8.645 25.111 17.798 1.00 54.33 H new ATOM 0 HA GLU A 16 6.586 26.895 16.688 1.00 4.54 H new ATOM 0 HB2 GLU A 16 8.772 28.171 16.879 1.00 42.31 H new ATOM 0 HB3 GLU A 16 9.526 26.923 15.906 1.00 42.31 H new ATOM 0 HG2 GLU A 16 9.095 28.575 14.340 1.00 75.31 H new ATOM 0 HG3 GLU A 16 7.731 27.497 14.121 1.00 75.31 H new ATOM 200 N PRO A 17 6.467 24.246 15.994 1.00 1.43 N ATOM 201 CA PRO A 17 6.201 23.096 15.136 1.00 51.22 C ATOM 202 C PRO A 17 5.372 23.511 13.913 1.00 35.04 C ATOM 203 O PRO A 17 4.143 23.577 13.979 1.00 60.22 O ATOM 204 CB PRO A 17 5.473 22.084 16.027 1.00 44.45 C ATOM 205 CG PRO A 17 4.716 22.979 17.006 1.00 51.25 C ATOM 206 CD PRO A 17 5.697 24.132 17.226 1.00 2.52 C ATOM 0 HA PRO A 17 7.113 22.660 14.728 1.00 51.22 H new ATOM 0 HB2 PRO A 17 4.797 21.451 15.452 1.00 44.45 H new ATOM 0 HB3 PRO A 17 6.170 21.422 16.540 1.00 44.45 H new ATOM 0 HG2 PRO A 17 3.769 23.325 16.591 1.00 51.25 H new ATOM 0 HG3 PRO A 17 4.485 22.459 17.936 1.00 51.25 H new ATOM 0 HD2 PRO A 17 5.167 25.060 17.442 1.00 2.52 H new ATOM 0 HD3 PRO A 17 6.349 23.932 18.076 1.00 2.52 H new ATOM 211 N SER A 18 6.027 23.796 12.791 1.00 54.11 N ATOM 212 CA SER A 18 5.391 23.901 11.482 1.00 74.01 C ATOM 213 C SER A 18 4.826 22.538 11.047 1.00 21.30 C ATOM 214 O SER A 18 5.160 21.507 11.646 1.00 71.21 O ATOM 215 CB SER A 18 6.419 24.441 10.480 1.00 64.23 C ATOM 216 OG SER A 18 7.707 23.869 10.661 1.00 74.35 O ATOM 0 H SER A 18 7.033 23.963 12.766 1.00 54.11 H new ATOM 0 HA SER A 18 4.549 24.592 11.526 1.00 74.01 H new ATOM 0 HB2 SER A 18 6.074 24.239 9.466 1.00 64.23 H new ATOM 0 HB3 SER A 18 6.488 25.524 10.583 1.00 64.23 H new ATOM 0 HG SER A 18 8.326 24.242 10.000 1.00 74.35 H new ATOM 221 N SER A 19 3.999 22.514 9.995 1.00 61.35 N ATOM 222 CA SER A 19 3.575 21.272 9.349 1.00 43.44 C ATOM 223 C SER A 19 2.952 21.521 7.974 1.00 14.24 C ATOM 224 O SER A 19 3.328 20.861 7.008 1.00 62.42 O ATOM 225 CB SER A 19 2.600 20.503 10.252 1.00 55.23 C ATOM 226 OG SER A 19 1.550 21.322 10.744 1.00 63.21 O ATOM 0 H SER A 19 3.607 23.355 9.570 1.00 61.35 H new ATOM 0 HA SER A 19 4.467 20.666 9.194 1.00 43.44 H new ATOM 0 HB2 SER A 19 2.174 19.669 9.694 1.00 55.23 H new ATOM 0 HB3 SER A 19 3.148 20.077 11.093 1.00 55.23 H new ATOM 0 HG SER A 19 0.694 20.859 10.631 1.00 63.21 H new ATOM 231 N GLU A 20 1.987 22.442 7.902 1.00 73.15 N ATOM 232 CA GLU A 20 1.253 22.883 6.714 1.00 23.34 C ATOM 233 C GLU A 20 0.619 21.759 5.865 1.00 34.31 C ATOM 234 O GLU A 20 0.343 21.968 4.677 1.00 40.13 O ATOM 235 CB GLU A 20 2.128 23.827 5.859 1.00 3.32 C ATOM 236 CG GLU A 20 1.281 24.974 5.286 1.00 31.14 C ATOM 237 CD GLU A 20 1.820 25.510 3.962 1.00 74.41 C ATOM 238 OE1 GLU A 20 2.963 26.009 3.897 1.00 71.23 O ATOM 239 OE2 GLU A 20 1.078 25.405 2.955 1.00 3.33 O ATOM 0 H GLU A 20 1.675 22.936 8.738 1.00 73.15 H new ATOM 0 HA GLU A 20 0.392 23.431 7.096 1.00 23.34 H new ATOM 0 HB2 GLU A 20 2.937 24.233 6.467 1.00 3.32 H new ATOM 0 HB3 GLU A 20 2.590 23.267 5.046 1.00 3.32 H new ATOM 0 HG2 GLU A 20 0.258 24.626 5.141 1.00 31.14 H new ATOM 0 HG3 GLU A 20 1.241 25.787 6.011 1.00 31.14 H new ATOM 244 N ASN A 21 0.391 20.560 6.411 1.00 3.22 N ATOM 245 CA ASN A 21 -0.150 19.427 5.657 1.00 14.54 C ATOM 246 C ASN A 21 -0.883 18.489 6.607 1.00 20.04 C ATOM 247 O ASN A 21 -0.502 18.382 7.774 1.00 11.33 O ATOM 248 CB ASN A 21 1.000 18.657 4.989 1.00 33.22 C ATOM 249 CG ASN A 21 0.611 18.070 3.644 1.00 32.00 C ATOM 250 OD1 ASN A 21 -0.152 17.105 3.552 1.00 63.15 O ATOM 251 ND2 ASN A 21 1.125 18.641 2.575 1.00 51.12 N ATOM 0 H ASN A 21 0.577 20.349 7.391 1.00 3.22 H new ATOM 0 HA ASN A 21 -0.837 19.798 4.897 1.00 14.54 H new ATOM 0 HB2 ASN A 21 1.850 19.326 4.856 1.00 33.22 H new ATOM 0 HB3 ASN A 21 1.326 17.854 5.650 1.00 33.22 H new ATOM 0 HD21 ASN A 21 0.894 18.287 1.647 1.00 51.12 H new ATOM 0 HD22 ASN A 21 1.754 19.438 2.675 1.00 51.12 H new ATOM 257 N ALA A 22 -1.877 17.753 6.112 1.00 63.03 N ATOM 258 CA ALA A 22 -2.551 16.699 6.849 1.00 73.32 C ATOM 259 C ALA A 22 -3.059 15.680 5.847 1.00 75.35 C ATOM 260 O ALA A 22 -3.882 16.013 4.989 1.00 2.31 O ATOM 261 CB ALA A 22 -3.718 17.258 7.659 1.00 24.11 C ATOM 0 H ALA A 22 -2.240 17.880 5.167 1.00 63.03 H new ATOM 0 HA ALA A 22 -1.854 16.238 7.549 1.00 73.32 H new ATOM 0 HB1 ALA A 22 -4.206 16.448 8.201 1.00 24.11 H new ATOM 0 HB2 ALA A 22 -3.347 17.998 8.368 1.00 24.11 H new ATOM 0 HB3 ALA A 22 -4.436 17.728 6.986 1.00 24.11 H new ATOM 267 N ASN A 23 -2.564 14.451 5.952 1.00 34.43 N ATOM 268 CA ASN A 23 -3.201 13.271 5.395 1.00 4.24 C ATOM 269 C ASN A 23 -2.656 12.043 6.125 1.00 33.22 C ATOM 270 O ASN A 23 -2.098 12.201 7.211 1.00 12.43 O ATOM 271 CB ASN A 23 -3.023 13.186 3.873 1.00 74.15 C ATOM 272 CG ASN A 23 -4.326 12.777 3.202 1.00 0.12 C ATOM 273 OD1 ASN A 23 -5.087 11.823 3.723 1.00 42.22 O flip ATOM 274 ND2 ASN A 23 -4.675 13.350 2.171 1.00 3.31 N flip ATOM 0 H ASN A 23 -1.690 14.247 6.438 1.00 34.43 H new ATOM 0 HA ASN A 23 -4.279 13.325 5.550 1.00 4.24 H new ATOM 0 HB2 ASN A 23 -2.696 14.151 3.486 1.00 74.15 H new ATOM 0 HB3 ASN A 23 -2.242 12.464 3.633 1.00 74.15 H new ATOM 0 HD21 ASN A 23 -4.089 14.083 1.772 1.00 3.31 H new ATOM 0 HD22 ASN A 23 -5.550 13.092 1.715 1.00 3.31 H new ATOM 280 N ASP A 24 -2.863 10.848 5.567 1.00 14.32 N ATOM 281 CA ASP A 24 -2.764 9.536 6.197 1.00 40.42 C ATOM 282 C ASP A 24 -2.400 8.620 5.034 1.00 20.42 C ATOM 283 O ASP A 24 -3.149 8.525 4.056 1.00 62.11 O ATOM 284 CB ASP A 24 -4.076 9.102 6.902 1.00 54.11 C ATOM 285 CG ASP A 24 -4.955 10.280 7.356 1.00 2.01 C ATOM 286 OD1 ASP A 24 -5.605 10.927 6.489 1.00 34.10 O ATOM 287 OD2 ASP A 24 -4.930 10.628 8.555 1.00 0.20 O ATOM 0 H ASP A 24 -3.125 10.770 4.584 1.00 14.32 H new ATOM 0 HA ASP A 24 -2.030 9.516 7.002 1.00 40.42 H new ATOM 0 HB2 ASP A 24 -4.651 8.472 6.223 1.00 54.11 H new ATOM 0 HB3 ASP A 24 -3.827 8.491 7.770 1.00 54.11 H new ATOM 291 N THR A 25 -1.191 8.065 5.044 1.00 60.14 N ATOM 292 CA THR A 25 -0.697 7.089 4.080 1.00 63.31 C ATOM 293 C THR A 25 0.376 6.291 4.831 1.00 62.53 C ATOM 294 O THR A 25 1.214 6.887 5.505 1.00 4.40 O ATOM 295 CB THR A 25 -0.105 7.824 2.859 1.00 33.53 C ATOM 296 OG1 THR A 25 -1.038 8.722 2.279 1.00 11.43 O ATOM 297 CG2 THR A 25 0.323 6.858 1.753 1.00 42.33 C ATOM 0 H THR A 25 -0.499 8.295 5.757 1.00 60.14 H new ATOM 0 HA THR A 25 -1.480 6.431 3.702 1.00 63.31 H new ATOM 0 HB THR A 25 0.760 8.363 3.246 1.00 33.53 H new ATOM 0 HG1 THR A 25 -1.900 8.639 2.737 1.00 11.43 H new ATOM 0 HG21 THR A 25 0.733 7.422 0.916 1.00 42.33 H new ATOM 0 HG22 THR A 25 1.082 6.177 2.138 1.00 42.33 H new ATOM 0 HG23 THR A 25 -0.541 6.285 1.416 1.00 42.33 H new ATOM 305 N ILE A 26 0.362 4.962 4.781 1.00 31.42 N ATOM 306 CA ILE A 26 1.415 4.163 5.419 1.00 31.41 C ATOM 307 C ILE A 26 2.563 4.054 4.409 1.00 35.20 C ATOM 308 O ILE A 26 2.312 3.985 3.199 1.00 72.12 O ATOM 309 CB ILE A 26 0.816 2.823 5.895 1.00 74.24 C ATOM 310 CG1 ILE A 26 -0.191 3.079 7.039 1.00 33.24 C ATOM 311 CG2 ILE A 26 1.850 1.777 6.349 1.00 75.13 C ATOM 312 CD1 ILE A 26 -1.357 2.095 6.952 1.00 40.24 C ATOM 0 H ILE A 26 -0.359 4.415 4.310 1.00 31.42 H new ATOM 0 HA ILE A 26 1.825 4.617 6.321 1.00 31.41 H new ATOM 0 HB ILE A 26 0.325 2.396 5.021 1.00 74.24 H new ATOM 0 HG12 ILE A 26 0.309 2.976 8.002 1.00 33.24 H new ATOM 0 HG13 ILE A 26 -0.564 4.101 6.981 1.00 33.24 H new ATOM 0 HG21 ILE A 26 1.335 0.870 6.665 1.00 75.13 H new ATOM 0 HG22 ILE A 26 2.520 1.544 5.521 1.00 75.13 H new ATOM 0 HG23 ILE A 26 2.428 2.175 7.183 1.00 75.13 H new ATOM 0 HD11 ILE A 26 -2.057 2.288 7.764 1.00 40.24 H new ATOM 0 HD12 ILE A 26 -1.867 2.218 5.996 1.00 40.24 H new ATOM 0 HD13 ILE A 26 -0.980 1.076 7.033 1.00 40.24 H new ATOM 323 N ILE A 27 3.813 4.065 4.887 1.00 22.54 N ATOM 324 CA ILE A 27 4.995 3.936 4.049 1.00 13.43 C ATOM 325 C ILE A 27 5.815 2.752 4.555 1.00 11.40 C ATOM 326 O ILE A 27 6.049 2.602 5.755 1.00 71.55 O ATOM 327 CB ILE A 27 5.748 5.283 3.980 1.00 11.14 C ATOM 328 CG1 ILE A 27 6.829 5.270 2.883 1.00 31.54 C ATOM 329 CG2 ILE A 27 6.384 5.701 5.314 1.00 32.20 C ATOM 330 CD1 ILE A 27 6.988 6.642 2.237 1.00 21.51 C ATOM 0 H ILE A 27 4.027 4.165 5.879 1.00 22.54 H new ATOM 0 HA ILE A 27 4.740 3.714 3.013 1.00 13.43 H new ATOM 0 HB ILE A 27 4.985 6.022 3.736 1.00 11.14 H new ATOM 0 HG12 ILE A 27 7.781 4.957 3.312 1.00 31.54 H new ATOM 0 HG13 ILE A 27 6.566 4.536 2.121 1.00 31.54 H new ATOM 0 HG21 ILE A 27 6.895 6.656 5.190 1.00 32.20 H new ATOM 0 HG22 ILE A 27 5.607 5.801 6.072 1.00 32.20 H new ATOM 0 HG23 ILE A 27 7.102 4.943 5.628 1.00 32.20 H new ATOM 0 HD11 ILE A 27 7.759 6.595 1.468 1.00 21.51 H new ATOM 0 HD12 ILE A 27 6.043 6.943 1.785 1.00 21.51 H new ATOM 0 HD13 ILE A 27 7.276 7.370 2.995 1.00 21.51 H new ATOM 341 N LEU A 28 6.212 1.888 3.629 1.00 71.35 N ATOM 342 CA LEU A 28 7.078 0.750 3.886 1.00 73.14 C ATOM 343 C LEU A 28 8.508 1.213 3.688 1.00 24.24 C ATOM 344 O LEU A 28 8.769 2.048 2.816 1.00 72.52 O ATOM 345 CB LEU A 28 6.794 -0.393 2.904 1.00 33.33 C ATOM 346 CG LEU A 28 5.420 -1.078 3.003 1.00 41.02 C ATOM 347 CD1 LEU A 28 5.003 -1.434 4.431 1.00 35.22 C ATOM 348 CD2 LEU A 28 4.303 -0.270 2.334 1.00 12.41 C ATOM 0 H LEU A 28 5.931 1.964 2.651 1.00 71.35 H new ATOM 0 HA LEU A 28 6.905 0.384 4.898 1.00 73.14 H new ATOM 0 HB2 LEU A 28 6.906 -0.005 1.892 1.00 33.33 H new ATOM 0 HB3 LEU A 28 7.562 -1.154 3.040 1.00 33.33 H new ATOM 0 HG LEU A 28 5.557 -2.011 2.457 1.00 41.02 H new ATOM 0 HD11 LEU A 28 4.024 -1.913 4.415 1.00 35.22 H new ATOM 0 HD12 LEU A 28 5.734 -2.117 4.864 1.00 35.22 H new ATOM 0 HD13 LEU A 28 4.953 -0.526 5.033 1.00 35.22 H new ATOM 0 HD21 LEU A 28 3.358 -0.803 2.436 1.00 12.41 H new ATOM 0 HD22 LEU A 28 4.223 0.706 2.813 1.00 12.41 H new ATOM 0 HD23 LEU A 28 4.533 -0.138 1.277 1.00 12.41 H new ATOM 359 N ARG A 29 9.443 0.653 4.457 1.00 61.32 N ATOM 360 CA ARG A 29 10.863 1.022 4.427 1.00 33.53 C ATOM 361 C ARG A 29 11.714 -0.247 4.573 1.00 40.34 C ATOM 362 O ARG A 29 11.154 -1.336 4.699 1.00 41.14 O ATOM 363 CB ARG A 29 11.159 2.068 5.523 1.00 20.11 C ATOM 364 CG ARG A 29 10.192 3.262 5.449 1.00 41.22 C ATOM 365 CD ARG A 29 10.545 4.435 6.364 1.00 61.42 C ATOM 366 NE ARG A 29 11.795 5.132 6.014 1.00 62.12 N ATOM 367 CZ ARG A 29 12.011 5.960 4.983 1.00 4.20 C ATOM 368 NH1 ARG A 29 11.233 5.933 3.904 1.00 42.13 N ATOM 369 NH2 ARG A 29 13.008 6.833 5.059 1.00 34.20 N ATOM 0 H ARG A 29 9.233 -0.083 5.131 1.00 61.32 H new ATOM 0 HA ARG A 29 11.119 1.485 3.474 1.00 33.53 H new ATOM 0 HB2 ARG A 29 11.082 1.599 6.504 1.00 20.11 H new ATOM 0 HB3 ARG A 29 12.184 2.423 5.419 1.00 20.11 H new ATOM 0 HG2 ARG A 29 10.158 3.620 4.420 1.00 41.22 H new ATOM 0 HG3 ARG A 29 9.189 2.915 5.698 1.00 41.22 H new ATOM 0 HD2 ARG A 29 9.726 5.154 6.344 1.00 61.42 H new ATOM 0 HD3 ARG A 29 10.623 4.069 7.388 1.00 61.42 H new ATOM 0 HE ARG A 29 12.591 4.964 6.630 1.00 62.12 H new ATOM 0 HH11 ARG A 29 10.456 5.274 3.852 1.00 42.13 H new ATOM 0 HH12 ARG A 29 11.413 6.571 3.129 1.00 42.13 H new ATOM 0 HH21 ARG A 29 13.595 6.866 5.893 1.00 34.20 H new ATOM 0 HH22 ARG A 29 13.187 7.471 4.284 1.00 34.20 H new ATOM 380 N ASN A 30 13.046 -0.117 4.570 1.00 33.52 N ATOM 381 CA ASN A 30 14.033 -1.184 4.812 1.00 63.33 C ATOM 382 C ASN A 30 14.028 -2.307 3.757 1.00 33.20 C ATOM 383 O ASN A 30 14.436 -3.434 4.039 1.00 21.50 O ATOM 384 CB ASN A 30 13.906 -1.743 6.246 1.00 55.12 C ATOM 385 CG ASN A 30 15.160 -2.494 6.687 1.00 24.11 C ATOM 386 OD1 ASN A 30 16.277 -2.025 6.484 1.00 31.32 O ATOM 387 ND2 ASN A 30 15.025 -3.656 7.296 1.00 4.21 N ATOM 0 H ASN A 30 13.491 0.783 4.389 1.00 33.52 H new ATOM 0 HA ASN A 30 15.009 -0.710 4.709 1.00 63.33 H new ATOM 0 HB2 ASN A 30 13.714 -0.923 6.938 1.00 55.12 H new ATOM 0 HB3 ASN A 30 13.047 -2.412 6.298 1.00 55.12 H new ATOM 0 HD21 ASN A 30 15.851 -4.171 7.601 1.00 4.21 H new ATOM 0 HD22 ASN A 30 14.095 -4.040 7.462 1.00 4.21 H new ATOM 393 N LEU A 31 13.577 -2.039 2.526 1.00 31.43 N ATOM 394 CA LEU A 31 13.313 -3.081 1.536 1.00 34.23 C ATOM 395 C LEU A 31 14.625 -3.438 0.817 1.00 35.53 C ATOM 396 O LEU A 31 15.708 -3.020 1.231 1.00 44.03 O ATOM 397 CB LEU A 31 12.188 -2.683 0.546 1.00 33.51 C ATOM 398 CG LEU A 31 10.896 -2.059 1.127 1.00 21.31 C ATOM 399 CD1 LEU A 31 11.099 -0.577 1.344 1.00 41.33 C ATOM 400 CD2 LEU A 31 9.696 -2.069 0.158 1.00 31.21 C ATOM 0 H LEU A 31 13.386 -1.094 2.192 1.00 31.43 H new ATOM 0 HA LEU A 31 12.943 -3.967 2.051 1.00 34.23 H new ATOM 0 HB2 LEU A 31 12.608 -1.976 -0.170 1.00 33.51 H new ATOM 0 HB3 LEU A 31 11.906 -3.574 -0.014 1.00 33.51 H new ATOM 0 HG LEU A 31 10.698 -2.652 2.020 1.00 21.31 H new ATOM 0 HD11 LEU A 31 10.188 -0.141 1.753 1.00 41.33 H new ATOM 0 HD12 LEU A 31 11.921 -0.421 2.042 1.00 41.33 H new ATOM 0 HD13 LEU A 31 11.335 -0.099 0.393 1.00 41.33 H new ATOM 0 HD21 LEU A 31 8.833 -1.614 0.643 1.00 31.21 H new ATOM 0 HD22 LEU A 31 9.948 -1.503 -0.739 1.00 31.21 H new ATOM 0 HD23 LEU A 31 9.458 -3.097 -0.116 1.00 31.21 H new ATOM 411 N ASN A 32 14.543 -4.216 -0.265 1.00 52.13 N ATOM 412 CA ASN A 32 15.657 -4.519 -1.169 1.00 73.51 C ATOM 413 C ASN A 32 15.208 -4.260 -2.601 1.00 74.44 C ATOM 414 O ASN A 32 14.001 -4.303 -2.825 1.00 52.25 O ATOM 415 CB ASN A 32 16.082 -5.991 -1.014 1.00 62.22 C ATOM 416 CG ASN A 32 17.567 -6.134 -0.724 1.00 64.42 C ATOM 417 OD1 ASN A 32 18.150 -5.370 0.029 1.00 64.21 O ATOM 418 ND2 ASN A 32 18.223 -7.084 -1.354 1.00 43.21 N ATOM 0 H ASN A 32 13.672 -4.667 -0.546 1.00 52.13 H new ATOM 0 HA ASN A 32 16.509 -3.885 -0.925 1.00 73.51 H new ATOM 0 HB2 ASN A 32 15.510 -6.449 -0.207 1.00 62.22 H new ATOM 0 HB3 ASN A 32 15.838 -6.536 -1.926 1.00 62.22 H new ATOM 0 HD21 ASN A 32 19.228 -7.188 -1.216 1.00 43.21 H new ATOM 0 HD22 ASN A 32 17.727 -7.717 -1.981 1.00 43.21 H new ATOM 424 N PRO A 33 16.104 -4.081 -3.586 1.00 60.22 N ATOM 425 CA PRO A 33 15.722 -3.674 -4.937 1.00 55.01 C ATOM 426 C PRO A 33 14.681 -4.574 -5.594 1.00 41.21 C ATOM 427 O PRO A 33 13.810 -4.079 -6.304 1.00 33.53 O ATOM 428 CB PRO A 33 17.020 -3.599 -5.744 1.00 15.01 C ATOM 429 CG PRO A 33 18.081 -4.250 -4.868 1.00 41.02 C ATOM 430 CD PRO A 33 17.550 -4.055 -3.457 1.00 54.24 C ATOM 0 HA PRO A 33 15.219 -2.708 -4.897 1.00 55.01 H new ATOM 0 HB2 PRO A 33 16.922 -4.122 -6.695 1.00 15.01 H new ATOM 0 HB3 PRO A 33 17.280 -2.566 -5.974 1.00 15.01 H new ATOM 0 HG2 PRO A 33 18.205 -5.306 -5.107 1.00 41.02 H new ATOM 0 HG3 PRO A 33 19.054 -3.777 -4.999 1.00 41.02 H new ATOM 0 HD2 PRO A 33 17.900 -4.845 -2.792 1.00 54.24 H new ATOM 0 HD3 PRO A 33 17.891 -3.109 -3.036 1.00 54.24 H new ATOM 435 N HIS A 34 14.753 -5.878 -5.338 1.00 40.12 N ATOM 436 CA HIS A 34 13.863 -6.868 -5.923 1.00 52.35 C ATOM 437 C HIS A 34 12.570 -7.079 -5.122 1.00 23.34 C ATOM 438 O HIS A 34 11.812 -7.994 -5.461 1.00 42.45 O ATOM 439 CB HIS A 34 14.637 -8.183 -6.053 1.00 40.35 C ATOM 440 CG HIS A 34 15.840 -8.058 -6.954 1.00 24.50 C ATOM 441 ND1 HIS A 34 15.817 -7.949 -8.327 1.00 24.24 N ATOM 442 CD2 HIS A 34 17.144 -7.942 -6.550 1.00 1.22 C ATOM 443 CE1 HIS A 34 17.087 -7.785 -8.739 1.00 73.24 C ATOM 444 NE2 HIS A 34 17.926 -7.764 -7.691 1.00 3.22 N ATOM 0 H HIS A 34 15.446 -6.280 -4.706 1.00 40.12 H new ATOM 0 HA HIS A 34 13.543 -6.502 -6.898 1.00 52.35 H new ATOM 0 HB2 HIS A 34 14.960 -8.510 -5.065 1.00 40.35 H new ATOM 0 HB3 HIS A 34 13.973 -8.955 -6.443 1.00 40.35 H new ATOM 0 HD2 HIS A 34 17.502 -7.981 -5.532 1.00 1.22 H new ATOM 0 HE1 HIS A 34 17.390 -7.684 -9.771 1.00 73.24 H new ATOM 0 HE2 HIS A 34 18.938 -7.642 -7.723 1.00 3.22 H new ATOM 451 N SER A 35 12.317 -6.327 -4.043 1.00 20.40 N ATOM 452 CA SER A 35 11.162 -6.566 -3.213 1.00 14.24 C ATOM 453 C SER A 35 9.889 -6.331 -4.031 1.00 73.45 C ATOM 454 O SER A 35 9.850 -5.512 -4.957 1.00 2.44 O ATOM 455 CB SER A 35 11.204 -5.697 -1.946 1.00 15.22 C ATOM 456 OG SER A 35 10.950 -4.325 -2.207 1.00 73.35 O ATOM 0 H SER A 35 12.905 -5.552 -3.737 1.00 20.40 H new ATOM 0 HA SER A 35 11.166 -7.603 -2.878 1.00 14.24 H new ATOM 0 HB2 SER A 35 10.468 -6.068 -1.233 1.00 15.22 H new ATOM 0 HB3 SER A 35 12.182 -5.797 -1.476 1.00 15.22 H new ATOM 0 HG SER A 35 10.018 -4.117 -1.986 1.00 73.35 H new ATOM 461 N THR A 36 8.827 -7.008 -3.638 1.00 32.51 N ATOM 462 CA THR A 36 7.554 -7.045 -4.345 1.00 15.33 C ATOM 463 C THR A 36 6.419 -6.497 -3.480 1.00 64.34 C ATOM 464 O THR A 36 6.554 -6.357 -2.260 1.00 42.23 O ATOM 465 CB THR A 36 7.289 -8.488 -4.811 1.00 71.13 C ATOM 466 OG1 THR A 36 7.746 -9.427 -3.853 1.00 2.22 O ATOM 467 CG2 THR A 36 7.989 -8.742 -6.143 1.00 61.33 C ATOM 0 H THR A 36 8.824 -7.569 -2.786 1.00 32.51 H new ATOM 0 HA THR A 36 7.602 -6.398 -5.221 1.00 15.33 H new ATOM 0 HB THR A 36 6.213 -8.610 -4.931 1.00 71.13 H new ATOM 0 HG1 THR A 36 7.564 -10.335 -4.173 1.00 2.22 H new ATOM 0 HG21 THR A 36 7.797 -9.765 -6.466 1.00 61.33 H new ATOM 0 HG22 THR A 36 7.609 -8.048 -6.892 1.00 61.33 H new ATOM 0 HG23 THR A 36 9.062 -8.595 -6.024 1.00 61.33 H new ATOM 475 N MET A 37 5.299 -6.154 -4.120 1.00 0.01 N ATOM 476 CA MET A 37 4.075 -5.704 -3.459 1.00 35.53 C ATOM 477 C MET A 37 3.456 -6.843 -2.643 1.00 21.51 C ATOM 478 O MET A 37 2.793 -6.620 -1.635 1.00 73.43 O ATOM 479 CB MET A 37 3.122 -5.119 -4.523 1.00 60.52 C ATOM 480 CG MET A 37 2.076 -6.065 -5.132 1.00 2.32 C ATOM 481 SD MET A 37 1.548 -5.640 -6.815 1.00 24.51 S ATOM 482 CE MET A 37 1.100 -3.895 -6.676 1.00 73.34 C ATOM 0 H MET A 37 5.217 -6.183 -5.136 1.00 0.01 H new ATOM 0 HA MET A 37 4.292 -4.912 -2.742 1.00 35.53 H new ATOM 0 HB2 MET A 37 2.594 -4.277 -4.076 1.00 60.52 H new ATOM 0 HB3 MET A 37 3.729 -4.720 -5.336 1.00 60.52 H new ATOM 0 HG2 MET A 37 2.483 -7.076 -5.139 1.00 2.32 H new ATOM 0 HG3 MET A 37 1.199 -6.079 -4.485 1.00 2.32 H new ATOM 0 HE1 MET A 37 1.003 -3.464 -7.672 1.00 73.34 H new ATOM 0 HE2 MET A 37 0.151 -3.804 -6.147 1.00 73.34 H new ATOM 0 HE3 MET A 37 1.875 -3.363 -6.125 1.00 73.34 H new ATOM 490 N ASP A 38 3.723 -8.071 -3.079 1.00 33.43 N ATOM 491 CA ASP A 38 3.162 -9.325 -2.609 1.00 75.32 C ATOM 492 C ASP A 38 3.455 -9.523 -1.129 1.00 52.34 C ATOM 493 O ASP A 38 2.580 -9.961 -0.399 1.00 53.04 O ATOM 494 CB ASP A 38 3.747 -10.472 -3.445 1.00 40.34 C ATOM 495 CG ASP A 38 3.459 -10.301 -4.937 1.00 44.21 C ATOM 496 OD1 ASP A 38 4.020 -9.359 -5.548 1.00 3.30 O ATOM 497 OD2 ASP A 38 2.671 -11.099 -5.482 1.00 21.54 O ATOM 0 H ASP A 38 4.393 -8.222 -3.833 1.00 33.43 H new ATOM 0 HA ASP A 38 2.078 -9.310 -2.727 1.00 75.32 H new ATOM 0 HB2 ASP A 38 4.824 -10.522 -3.288 1.00 40.34 H new ATOM 0 HB3 ASP A 38 3.331 -11.419 -3.102 1.00 40.34 H new ATOM 501 N SER A 39 4.653 -9.147 -0.668 1.00 31.20 N ATOM 502 CA SER A 39 5.045 -9.069 0.727 1.00 54.14 C ATOM 503 C SER A 39 4.005 -8.321 1.558 1.00 4.23 C ATOM 504 O SER A 39 3.544 -8.837 2.576 1.00 2.44 O ATOM 505 CB SER A 39 6.448 -8.422 0.760 1.00 0.12 C ATOM 506 OG SER A 39 7.162 -8.620 1.964 1.00 20.12 O ATOM 0 H SER A 39 5.408 -8.877 -1.298 1.00 31.20 H new ATOM 0 HA SER A 39 5.095 -10.057 1.184 1.00 54.14 H new ATOM 0 HB2 SER A 39 7.037 -8.822 -0.066 1.00 0.12 H new ATOM 0 HB3 SER A 39 6.343 -7.351 0.588 1.00 0.12 H new ATOM 0 HG SER A 39 7.782 -9.372 1.857 1.00 20.12 H new ATOM 511 N ILE A 40 3.609 -7.125 1.128 1.00 12.01 N ATOM 512 CA ILE A 40 2.720 -6.293 1.917 1.00 71.34 C ATOM 513 C ILE A 40 1.333 -6.946 1.952 1.00 0.43 C ATOM 514 O ILE A 40 0.688 -6.981 3.001 1.00 15.31 O ATOM 515 CB ILE A 40 2.697 -4.850 1.363 1.00 61.31 C ATOM 516 CG1 ILE A 40 4.093 -4.178 1.335 1.00 73.45 C ATOM 517 CG2 ILE A 40 1.784 -3.942 2.200 1.00 52.44 C ATOM 518 CD1 ILE A 40 4.927 -4.403 0.070 1.00 44.05 C ATOM 0 H ILE A 40 3.892 -6.716 0.238 1.00 12.01 H new ATOM 0 HA ILE A 40 3.078 -6.216 2.944 1.00 71.34 H new ATOM 0 HB ILE A 40 2.327 -4.955 0.343 1.00 61.31 H new ATOM 0 HG12 ILE A 40 3.959 -3.105 1.471 1.00 73.45 H new ATOM 0 HG13 ILE A 40 4.664 -4.539 2.190 1.00 73.45 H new ATOM 0 HG21 ILE A 40 1.791 -2.935 1.783 1.00 52.44 H new ATOM 0 HG22 ILE A 40 0.767 -4.334 2.184 1.00 52.44 H new ATOM 0 HG23 ILE A 40 2.145 -3.911 3.228 1.00 52.44 H new ATOM 0 HD11 ILE A 40 5.881 -3.885 0.167 1.00 44.05 H new ATOM 0 HD12 ILE A 40 5.105 -5.470 -0.064 1.00 44.05 H new ATOM 0 HD13 ILE A 40 4.389 -4.014 -0.794 1.00 44.05 H new ATOM 529 N LEU A 41 0.877 -7.489 0.818 1.00 71.33 N ATOM 530 CA LEU A 41 -0.383 -8.222 0.744 1.00 15.21 C ATOM 531 C LEU A 41 -0.336 -9.404 1.715 1.00 13.00 C ATOM 532 O LEU A 41 -1.200 -9.527 2.580 1.00 24.34 O ATOM 533 CB LEU A 41 -0.694 -8.648 -0.701 1.00 51.01 C ATOM 534 CG LEU A 41 -0.852 -7.462 -1.678 1.00 41.45 C ATOM 535 CD1 LEU A 41 -1.216 -7.982 -3.070 1.00 43.34 C ATOM 536 CD2 LEU A 41 -1.928 -6.455 -1.248 1.00 42.04 C ATOM 0 H LEU A 41 1.373 -7.431 -0.071 1.00 71.33 H new ATOM 0 HA LEU A 41 -1.205 -7.572 1.046 1.00 15.21 H new ATOM 0 HB2 LEU A 41 0.105 -9.298 -1.059 1.00 51.01 H new ATOM 0 HB3 LEU A 41 -1.611 -9.237 -0.707 1.00 51.01 H new ATOM 0 HG LEU A 41 0.107 -6.944 -1.681 1.00 41.45 H new ATOM 0 HD11 LEU A 41 -1.326 -7.141 -3.755 1.00 43.34 H new ATOM 0 HD12 LEU A 41 -0.427 -8.642 -3.430 1.00 43.34 H new ATOM 0 HD13 LEU A 41 -2.155 -8.533 -3.018 1.00 43.34 H new ATOM 0 HD21 LEU A 41 -1.985 -5.649 -1.979 1.00 42.04 H new ATOM 0 HD22 LEU A 41 -2.893 -6.958 -1.186 1.00 42.04 H new ATOM 0 HD23 LEU A 41 -1.671 -6.042 -0.272 1.00 42.04 H new ATOM 547 N GLY A 42 0.704 -10.230 1.633 1.00 14.03 N ATOM 548 CA GLY A 42 0.853 -11.445 2.411 1.00 4.44 C ATOM 549 C GLY A 42 0.916 -11.211 3.919 1.00 34.14 C ATOM 550 O GLY A 42 0.516 -12.103 4.666 1.00 75.12 O ATOM 0 H GLY A 42 1.488 -10.062 1.002 1.00 14.03 H new ATOM 0 HA2 GLY A 42 0.018 -12.110 2.191 1.00 4.44 H new ATOM 0 HA3 GLY A 42 1.761 -11.958 2.095 1.00 4.44 H new ATOM 554 N ALA A 43 1.399 -10.054 4.389 1.00 33.10 N ATOM 555 CA ALA A 43 1.361 -9.729 5.811 1.00 55.24 C ATOM 556 C ALA A 43 -0.072 -9.424 6.241 1.00 52.25 C ATOM 557 O ALA A 43 -0.530 -9.953 7.253 1.00 62.21 O ATOM 558 CB ALA A 43 2.275 -8.539 6.140 1.00 75.25 C ATOM 0 H ALA A 43 1.819 -9.332 3.803 1.00 33.10 H new ATOM 0 HA ALA A 43 1.727 -10.595 6.363 1.00 55.24 H new ATOM 0 HB1 ALA A 43 2.222 -8.324 7.207 1.00 75.25 H new ATOM 0 HB2 ALA A 43 3.302 -8.783 5.869 1.00 75.25 H new ATOM 0 HB3 ALA A 43 1.950 -7.664 5.577 1.00 75.25 H new ATOM 564 N LEU A 44 -0.755 -8.523 5.527 1.00 15.02 N ATOM 565 CA LEU A 44 -1.928 -7.844 6.080 1.00 63.41 C ATOM 566 C LEU A 44 -3.251 -8.403 5.579 1.00 14.01 C ATOM 567 O LEU A 44 -4.276 -8.064 6.162 1.00 71.33 O ATOM 568 CB LEU A 44 -1.856 -6.325 5.833 1.00 51.13 C ATOM 569 CG LEU A 44 -0.787 -5.518 6.602 1.00 2.12 C ATOM 570 CD1 LEU A 44 -0.377 -6.165 7.930 1.00 63.42 C ATOM 571 CD2 LEU A 44 0.453 -5.236 5.750 1.00 12.44 C ATOM 0 H LEU A 44 -0.517 -8.250 4.573 1.00 15.02 H new ATOM 0 HA LEU A 44 -1.901 -8.035 7.153 1.00 63.41 H new ATOM 0 HB2 LEU A 44 -1.692 -6.167 4.767 1.00 51.13 H new ATOM 0 HB3 LEU A 44 -2.831 -5.901 6.072 1.00 51.13 H new ATOM 0 HG LEU A 44 -1.268 -4.569 6.837 1.00 2.12 H new ATOM 0 HD11 LEU A 44 0.376 -5.547 8.419 1.00 63.42 H new ATOM 0 HD12 LEU A 44 -1.250 -6.252 8.577 1.00 63.42 H new ATOM 0 HD13 LEU A 44 0.035 -7.156 7.740 1.00 63.42 H new ATOM 0 HD21 LEU A 44 1.175 -4.666 6.335 1.00 12.44 H new ATOM 0 HD22 LEU A 44 0.902 -6.179 5.438 1.00 12.44 H new ATOM 0 HD23 LEU A 44 0.166 -4.662 4.869 1.00 12.44 H new ATOM 582 N ALA A 45 -3.258 -9.263 4.558 1.00 60.54 N ATOM 583 CA ALA A 45 -4.462 -9.770 3.905 1.00 1.04 C ATOM 584 C ALA A 45 -5.624 -10.134 4.855 1.00 72.33 C ATOM 585 O ALA A 45 -6.730 -9.662 4.596 1.00 15.12 O ATOM 586 CB ALA A 45 -4.099 -10.927 2.966 1.00 73.21 C ATOM 0 H ALA A 45 -2.399 -9.635 4.153 1.00 60.54 H new ATOM 0 HA ALA A 45 -4.861 -8.939 3.323 1.00 1.04 H new ATOM 0 HB1 ALA A 45 -5.002 -11.300 2.482 1.00 73.21 H new ATOM 0 HB2 ALA A 45 -3.400 -10.574 2.207 1.00 73.21 H new ATOM 0 HB3 ALA A 45 -3.636 -11.730 3.540 1.00 73.21 H new ATOM 592 N PRO A 46 -5.464 -10.956 5.914 1.00 31.22 N ATOM 593 CA PRO A 46 -6.574 -11.319 6.803 1.00 54.13 C ATOM 594 C PRO A 46 -6.996 -10.216 7.782 1.00 32.40 C ATOM 595 O PRO A 46 -8.017 -10.356 8.460 1.00 53.13 O ATOM 596 CB PRO A 46 -6.093 -12.552 7.572 1.00 51.03 C ATOM 597 CG PRO A 46 -4.581 -12.358 7.626 1.00 14.41 C ATOM 598 CD PRO A 46 -4.262 -11.682 6.296 1.00 15.34 C ATOM 0 HA PRO A 46 -7.466 -11.499 6.203 1.00 54.13 H new ATOM 0 HB2 PRO A 46 -6.529 -12.600 8.570 1.00 51.03 H new ATOM 0 HB3 PRO A 46 -6.363 -13.476 7.061 1.00 51.03 H new ATOM 0 HG2 PRO A 46 -4.286 -11.738 8.473 1.00 14.41 H new ATOM 0 HG3 PRO A 46 -4.058 -13.309 7.729 1.00 14.41 H new ATOM 0 HD2 PRO A 46 -3.413 -11.005 6.396 1.00 15.34 H new ATOM 0 HD3 PRO A 46 -3.994 -12.419 5.539 1.00 15.34 H new ATOM 603 N TYR A 47 -6.222 -9.138 7.886 1.00 33.12 N ATOM 604 CA TYR A 47 -6.421 -8.039 8.823 1.00 61.32 C ATOM 605 C TYR A 47 -6.838 -6.768 8.084 1.00 11.31 C ATOM 606 O TYR A 47 -6.893 -5.699 8.694 1.00 15.41 O ATOM 607 CB TYR A 47 -5.122 -7.798 9.608 1.00 11.30 C ATOM 608 CG TYR A 47 -4.428 -9.049 10.112 1.00 63.33 C ATOM 609 CD1 TYR A 47 -5.166 -10.048 10.773 1.00 55.22 C ATOM 610 CD2 TYR A 47 -3.051 -9.235 9.875 1.00 32.41 C ATOM 611 CE1 TYR A 47 -4.534 -11.227 11.197 1.00 61.32 C ATOM 612 CE2 TYR A 47 -2.408 -10.406 10.310 1.00 51.13 C ATOM 613 CZ TYR A 47 -3.151 -11.401 10.980 1.00 23.50 C ATOM 614 OH TYR A 47 -2.552 -12.540 11.412 1.00 1.20 O ATOM 0 H TYR A 47 -5.404 -9.002 7.293 1.00 33.12 H new ATOM 0 HA TYR A 47 -7.220 -8.303 9.516 1.00 61.32 H new ATOM 0 HB2 TYR A 47 -4.428 -7.249 8.971 1.00 11.30 H new ATOM 0 HB3 TYR A 47 -5.346 -7.158 10.461 1.00 11.30 H new ATOM 0 HD1 TYR A 47 -6.221 -9.907 10.954 1.00 55.22 H new ATOM 0 HD2 TYR A 47 -2.487 -8.474 9.356 1.00 32.41 H new ATOM 0 HE1 TYR A 47 -5.106 -12.000 11.689 1.00 61.32 H new ATOM 0 HE2 TYR A 47 -1.352 -10.544 10.133 1.00 51.13 H new ATOM 0 HH TYR A 47 -1.598 -12.513 11.188 1.00 1.20 H new ATOM 623 N ALA A 48 -7.086 -6.864 6.777 1.00 63.34 N ATOM 624 CA ALA A 48 -7.205 -5.728 5.878 1.00 75.41 C ATOM 625 C ALA A 48 -8.302 -5.959 4.842 1.00 34.24 C ATOM 626 O ALA A 48 -8.869 -7.053 4.748 1.00 62.54 O ATOM 627 CB ALA A 48 -5.850 -5.515 5.198 1.00 24.13 C ATOM 0 H ALA A 48 -7.212 -7.761 6.307 1.00 63.34 H new ATOM 0 HA ALA A 48 -7.483 -4.839 6.443 1.00 75.41 H new ATOM 0 HB1 ALA A 48 -5.914 -4.666 4.517 1.00 24.13 H new ATOM 0 HB2 ALA A 48 -5.090 -5.317 5.954 1.00 24.13 H new ATOM 0 HB3 ALA A 48 -5.579 -6.410 4.638 1.00 24.13 H new ATOM 633 N VAL A 49 -8.586 -4.931 4.042 1.00 1.40 N ATOM 634 CA VAL A 49 -9.412 -5.019 2.857 1.00 72.35 C ATOM 635 C VAL A 49 -8.825 -4.082 1.794 1.00 75.25 C ATOM 636 O VAL A 49 -9.179 -2.910 1.677 1.00 41.23 O ATOM 637 CB VAL A 49 -10.891 -4.851 3.239 1.00 0.30 C ATOM 638 CG1 VAL A 49 -11.279 -3.472 3.770 1.00 52.44 C ATOM 639 CG2 VAL A 49 -11.793 -5.259 2.073 1.00 64.52 C ATOM 0 H VAL A 49 -8.233 -3.990 4.214 1.00 1.40 H new ATOM 0 HA VAL A 49 -9.401 -6.002 2.386 1.00 72.35 H new ATOM 0 HB VAL A 49 -11.042 -5.522 4.084 1.00 0.30 H new ATOM 0 HG11 VAL A 49 -12.342 -3.460 4.009 1.00 52.44 H new ATOM 0 HG12 VAL A 49 -10.702 -3.253 4.669 1.00 52.44 H new ATOM 0 HG13 VAL A 49 -11.070 -2.718 3.011 1.00 52.44 H new ATOM 0 HG21 VAL A 49 -12.837 -5.134 2.360 1.00 64.52 H new ATOM 0 HG22 VAL A 49 -11.577 -4.631 1.209 1.00 64.52 H new ATOM 0 HG23 VAL A 49 -11.609 -6.303 1.819 1.00 64.52 H new ATOM 649 N LEU A 50 -7.834 -4.587 1.067 1.00 24.11 N ATOM 650 CA LEU A 50 -7.089 -3.892 0.018 1.00 73.34 C ATOM 651 C LEU A 50 -6.569 -4.908 -1.009 1.00 75.21 C ATOM 652 O LEU A 50 -6.766 -6.114 -0.856 1.00 2.30 O ATOM 653 CB LEU A 50 -5.954 -3.040 0.629 1.00 51.05 C ATOM 654 CG LEU A 50 -5.186 -3.620 1.831 1.00 60.51 C ATOM 655 CD1 LEU A 50 -4.643 -5.036 1.632 1.00 21.23 C ATOM 656 CD2 LEU A 50 -4.017 -2.699 2.177 1.00 51.05 C ATOM 0 H LEU A 50 -7.510 -5.545 1.200 1.00 24.11 H new ATOM 0 HA LEU A 50 -7.753 -3.203 -0.504 1.00 73.34 H new ATOM 0 HB2 LEU A 50 -5.232 -2.830 -0.160 1.00 51.05 H new ATOM 0 HB3 LEU A 50 -6.380 -2.084 0.934 1.00 51.05 H new ATOM 0 HG LEU A 50 -5.918 -3.683 2.637 1.00 60.51 H new ATOM 0 HD11 LEU A 50 -4.119 -5.355 2.533 1.00 21.23 H new ATOM 0 HD12 LEU A 50 -5.470 -5.718 1.433 1.00 21.23 H new ATOM 0 HD13 LEU A 50 -3.953 -5.046 0.788 1.00 21.23 H new ATOM 0 HD21 LEU A 50 -3.472 -3.107 3.028 1.00 51.05 H new ATOM 0 HD22 LEU A 50 -3.348 -2.623 1.320 1.00 51.05 H new ATOM 0 HD23 LEU A 50 -4.396 -1.709 2.431 1.00 51.05 H new ATOM 667 N SER A 51 -5.909 -4.434 -2.065 1.00 31.51 N ATOM 668 CA SER A 51 -5.264 -5.272 -3.066 1.00 2.24 C ATOM 669 C SER A 51 -4.202 -4.457 -3.803 1.00 4.40 C ATOM 670 O SER A 51 -3.843 -3.369 -3.357 1.00 14.30 O ATOM 671 CB SER A 51 -6.316 -5.844 -4.024 1.00 31.22 C ATOM 672 OG SER A 51 -5.902 -7.130 -4.445 1.00 71.22 O ATOM 0 H SER A 51 -5.808 -3.436 -2.249 1.00 31.51 H new ATOM 0 HA SER A 51 -4.767 -6.115 -2.586 1.00 2.24 H new ATOM 0 HB2 SER A 51 -7.285 -5.904 -3.528 1.00 31.22 H new ATOM 0 HB3 SER A 51 -6.439 -5.187 -4.885 1.00 31.22 H new ATOM 0 HG SER A 51 -6.570 -7.505 -5.057 1.00 71.22 H new ATOM 677 N SER A 52 -3.681 -4.958 -4.924 1.00 21.14 N ATOM 678 CA SER A 52 -2.578 -4.368 -5.673 1.00 51.13 C ATOM 679 C SER A 52 -2.818 -2.921 -6.159 1.00 2.24 C ATOM 680 O SER A 52 -1.861 -2.265 -6.577 1.00 72.55 O ATOM 681 CB SER A 52 -2.134 -5.348 -6.770 1.00 12.01 C ATOM 682 OG SER A 52 -3.231 -5.943 -7.446 1.00 53.04 O ATOM 0 H SER A 52 -4.031 -5.817 -5.348 1.00 21.14 H new ATOM 0 HA SER A 52 -1.745 -4.226 -4.985 1.00 51.13 H new ATOM 0 HB2 SER A 52 -1.509 -4.821 -7.492 1.00 12.01 H new ATOM 0 HB3 SER A 52 -1.518 -6.130 -6.326 1.00 12.01 H new ATOM 0 HG SER A 52 -2.898 -6.556 -8.134 1.00 53.04 H new ATOM 687 N SER A 53 -4.042 -2.384 -6.064 1.00 32.12 N ATOM 688 CA SER A 53 -4.273 -0.956 -6.276 1.00 22.31 C ATOM 689 C SER A 53 -3.713 -0.106 -5.116 1.00 35.34 C ATOM 690 O SER A 53 -3.106 0.933 -5.374 1.00 11.23 O ATOM 691 CB SER A 53 -5.759 -0.700 -6.515 1.00 22.13 C ATOM 692 OG SER A 53 -5.955 0.556 -7.129 1.00 24.32 O ATOM 0 H SER A 53 -4.882 -2.918 -5.842 1.00 32.12 H new ATOM 0 HA SER A 53 -3.728 -0.645 -7.167 1.00 22.31 H new ATOM 0 HB2 SER A 53 -6.172 -1.487 -7.145 1.00 22.13 H new ATOM 0 HB3 SER A 53 -6.297 -0.735 -5.567 1.00 22.13 H new ATOM 0 HG SER A 53 -6.913 0.702 -7.276 1.00 24.32 H new ATOM 697 N ASN A 54 -3.898 -0.526 -3.854 1.00 74.13 N ATOM 698 CA ASN A 54 -3.364 0.094 -2.652 1.00 14.03 C ATOM 699 C ASN A 54 -1.841 0.134 -2.671 1.00 71.31 C ATOM 700 O ASN A 54 -1.252 1.183 -2.417 1.00 75.24 O ATOM 701 CB ASN A 54 -3.816 -0.743 -1.453 1.00 72.54 C ATOM 702 CG ASN A 54 -3.055 -0.314 -0.251 1.00 52.04 C ATOM 703 OD1 ASN A 54 -2.003 -0.845 0.070 1.00 32.31 O ATOM 704 ND2 ASN A 54 -3.553 0.712 0.379 1.00 71.13 N ATOM 0 H ASN A 54 -4.456 -1.353 -3.644 1.00 74.13 H new ATOM 0 HA ASN A 54 -3.729 1.119 -2.592 1.00 14.03 H new ATOM 0 HB2 ASN A 54 -4.886 -0.616 -1.287 1.00 72.54 H new ATOM 0 HB3 ASN A 54 -3.647 -1.802 -1.648 1.00 72.54 H new ATOM 0 HD21 ASN A 54 -3.060 1.107 1.180 1.00 71.13 H new ATOM 0 HD22 ASN A 54 -4.436 1.120 0.072 1.00 71.13 H new ATOM 710 N VAL A 55 -1.231 -1.038 -2.852 1.00 42.41 N ATOM 711 CA VAL A 55 0.156 -1.286 -2.493 1.00 1.23 C ATOM 712 C VAL A 55 1.042 -0.782 -3.635 1.00 33.21 C ATOM 713 O VAL A 55 1.433 -1.486 -4.574 1.00 31.12 O ATOM 714 CB VAL A 55 0.335 -2.743 -2.021 1.00 1.21 C ATOM 715 CG1 VAL A 55 -0.239 -3.744 -3.012 1.00 40.13 C ATOM 716 CG2 VAL A 55 1.790 -3.087 -1.714 1.00 73.24 C ATOM 0 H VAL A 55 -1.697 -1.849 -3.258 1.00 42.41 H new ATOM 0 HA VAL A 55 0.485 -0.721 -1.621 1.00 1.23 H new ATOM 0 HB VAL A 55 -0.230 -2.818 -1.092 1.00 1.21 H new ATOM 0 HG11 VAL A 55 -0.089 -4.756 -2.635 1.00 40.13 H new ATOM 0 HG12 VAL A 55 -1.306 -3.559 -3.140 1.00 40.13 H new ATOM 0 HG13 VAL A 55 0.265 -3.636 -3.972 1.00 40.13 H new ATOM 0 HG21 VAL A 55 1.857 -4.124 -1.386 1.00 73.24 H new ATOM 0 HG22 VAL A 55 2.393 -2.950 -2.611 1.00 73.24 H new ATOM 0 HG23 VAL A 55 2.160 -2.432 -0.925 1.00 73.24 H new ATOM 726 N ARG A 56 1.295 0.517 -3.578 1.00 15.41 N ATOM 727 CA ARG A 56 1.982 1.262 -4.608 1.00 73.54 C ATOM 728 C ARG A 56 3.486 1.123 -4.404 1.00 34.20 C ATOM 729 O ARG A 56 4.128 1.909 -3.705 1.00 40.43 O ATOM 730 CB ARG A 56 1.468 2.713 -4.631 1.00 72.42 C ATOM 731 CG ARG A 56 1.583 3.333 -6.030 1.00 13.32 C ATOM 732 CD ARG A 56 0.475 2.846 -6.979 1.00 22.14 C ATOM 733 NE ARG A 56 0.071 3.895 -7.933 1.00 24.11 N ATOM 734 CZ ARG A 56 -0.538 3.709 -9.110 1.00 74.12 C ATOM 735 NH1 ARG A 56 -0.775 2.482 -9.554 1.00 14.13 N ATOM 736 NH2 ARG A 56 -0.894 4.754 -9.853 1.00 60.24 N ATOM 0 H ARG A 56 1.016 1.095 -2.785 1.00 15.41 H new ATOM 0 HA ARG A 56 1.770 0.862 -5.600 1.00 73.54 H new ATOM 0 HB2 ARG A 56 0.427 2.736 -4.307 1.00 72.42 H new ATOM 0 HB3 ARG A 56 2.036 3.312 -3.920 1.00 72.42 H new ATOM 0 HG2 ARG A 56 1.537 4.419 -5.948 1.00 13.32 H new ATOM 0 HG3 ARG A 56 2.556 3.087 -6.455 1.00 13.32 H new ATOM 0 HD2 ARG A 56 0.825 1.971 -7.527 1.00 22.14 H new ATOM 0 HD3 ARG A 56 -0.391 2.532 -6.396 1.00 22.14 H new ATOM 0 HE ARG A 56 0.276 4.859 -7.670 1.00 24.11 H new ATOM 0 HH11 ARG A 56 -0.493 1.675 -8.998 1.00 14.13 H new ATOM 0 HH12 ARG A 56 -1.240 2.345 -10.452 1.00 14.13 H new ATOM 0 HH21 ARG A 56 -0.703 5.701 -9.526 1.00 60.24 H new ATOM 0 HH22 ARG A 56 -1.358 4.608 -10.750 1.00 60.24 H new ATOM 747 N VAL A 57 4.060 0.099 -5.018 1.00 64.51 N ATOM 748 CA VAL A 57 5.494 -0.095 -5.121 1.00 41.33 C ATOM 749 C VAL A 57 5.920 0.713 -6.336 1.00 40.41 C ATOM 750 O VAL A 57 5.665 0.311 -7.474 1.00 33.51 O ATOM 751 CB VAL A 57 5.836 -1.593 -5.241 1.00 31.52 C ATOM 752 CG1 VAL A 57 7.352 -1.818 -5.339 1.00 60.22 C ATOM 753 CG2 VAL A 57 5.323 -2.386 -4.032 1.00 71.51 C ATOM 0 H VAL A 57 3.523 -0.640 -5.471 1.00 64.51 H new ATOM 0 HA VAL A 57 6.029 0.243 -4.234 1.00 41.33 H new ATOM 0 HB VAL A 57 5.347 -1.943 -6.150 1.00 31.52 H new ATOM 0 HG11 VAL A 57 7.557 -2.885 -5.422 1.00 60.22 H new ATOM 0 HG12 VAL A 57 7.740 -1.304 -6.219 1.00 60.22 H new ATOM 0 HG13 VAL A 57 7.837 -1.424 -4.446 1.00 60.22 H new ATOM 0 HG21 VAL A 57 5.582 -3.438 -4.151 1.00 71.51 H new ATOM 0 HG22 VAL A 57 5.782 -2.000 -3.122 1.00 71.51 H new ATOM 0 HG23 VAL A 57 4.240 -2.284 -3.963 1.00 71.51 H new ATOM 763 N ILE A 58 6.502 1.889 -6.116 1.00 40.15 N ATOM 764 CA ILE A 58 7.172 2.613 -7.195 1.00 75.55 C ATOM 765 C ILE A 58 8.425 1.818 -7.585 1.00 64.54 C ATOM 766 O ILE A 58 8.918 0.996 -6.806 1.00 40.15 O ATOM 767 CB ILE A 58 7.455 4.079 -6.777 1.00 32.44 C ATOM 768 CG1 ILE A 58 6.246 4.740 -6.071 1.00 63.31 C ATOM 769 CG2 ILE A 58 7.860 4.955 -7.976 1.00 71.41 C ATOM 770 CD1 ILE A 58 4.920 4.663 -6.836 1.00 23.42 C ATOM 0 H ILE A 58 6.524 2.358 -5.210 1.00 40.15 H new ATOM 0 HA ILE A 58 6.538 2.693 -8.078 1.00 75.55 H new ATOM 0 HB ILE A 58 8.286 4.019 -6.074 1.00 32.44 H new ATOM 0 HG12 ILE A 58 6.113 4.269 -5.097 1.00 63.31 H new ATOM 0 HG13 ILE A 58 6.481 5.789 -5.889 1.00 63.31 H new ATOM 0 HG21 ILE A 58 8.048 5.973 -7.636 1.00 71.41 H new ATOM 0 HG22 ILE A 58 8.764 4.552 -8.432 1.00 71.41 H new ATOM 0 HG23 ILE A 58 7.055 4.961 -8.711 1.00 71.41 H new ATOM 0 HD11 ILE A 58 4.137 5.154 -6.258 1.00 23.42 H new ATOM 0 HD12 ILE A 58 5.026 5.162 -7.799 1.00 23.42 H new ATOM 0 HD13 ILE A 58 4.652 3.619 -6.996 1.00 23.42 H new ATOM 781 N LYS A 59 8.934 2.035 -8.798 1.00 73.21 N ATOM 782 CA LYS A 59 10.113 1.379 -9.343 1.00 0.20 C ATOM 783 C LYS A 59 10.902 2.420 -10.117 1.00 73.33 C ATOM 784 O LYS A 59 10.305 3.320 -10.719 1.00 22.54 O ATOM 785 CB LYS A 59 9.756 0.176 -10.238 1.00 32.52 C ATOM 786 CG LYS A 59 9.013 -0.932 -9.467 1.00 60.22 C ATOM 787 CD LYS A 59 9.044 -2.289 -10.186 1.00 22.52 C ATOM 788 CE LYS A 59 8.470 -2.288 -11.609 1.00 42.43 C ATOM 789 NZ LYS A 59 7.004 -2.471 -11.672 1.00 33.34 N ATOM 0 H LYS A 59 8.517 2.699 -9.450 1.00 73.21 H new ATOM 0 HA LYS A 59 10.709 0.973 -8.526 1.00 0.20 H new ATOM 0 HB2 LYS A 59 9.136 0.516 -11.068 1.00 32.52 H new ATOM 0 HB3 LYS A 59 10.668 -0.235 -10.670 1.00 32.52 H new ATOM 0 HG2 LYS A 59 9.459 -1.041 -8.478 1.00 60.22 H new ATOM 0 HG3 LYS A 59 7.976 -0.630 -9.317 1.00 60.22 H new ATOM 0 HD2 LYS A 59 10.076 -2.636 -10.228 1.00 22.52 H new ATOM 0 HD3 LYS A 59 8.489 -3.012 -9.588 1.00 22.52 H new ATOM 0 HE2 LYS A 59 8.728 -1.346 -12.092 1.00 42.43 H new ATOM 0 HE3 LYS A 59 8.949 -3.082 -12.182 1.00 42.43 H new ATOM 0 HZ1 LYS A 59 6.695 -2.459 -12.665 1.00 33.34 H new ATOM 0 HZ2 LYS A 59 6.749 -3.383 -11.241 1.00 33.34 H new ATOM 0 HZ3 LYS A 59 6.535 -1.700 -11.154 1.00 33.34 H new ATOM 799 N ASP A 60 12.222 2.306 -10.065 1.00 72.35 N ATOM 800 CA ASP A 60 13.158 3.144 -10.800 1.00 64.21 C ATOM 801 C ASP A 60 12.927 2.968 -12.304 1.00 63.52 C ATOM 802 O ASP A 60 12.546 1.893 -12.775 1.00 14.22 O ATOM 803 CB ASP A 60 14.573 2.736 -10.367 1.00 53.25 C ATOM 804 CG ASP A 60 15.701 3.335 -11.206 1.00 43.24 C ATOM 805 OD1 ASP A 60 15.556 4.433 -11.775 1.00 35.51 O ATOM 806 OD2 ASP A 60 16.744 2.644 -11.311 1.00 52.11 O ATOM 0 H ASP A 60 12.686 1.603 -9.490 1.00 72.35 H new ATOM 0 HA ASP A 60 13.016 4.203 -10.584 1.00 64.21 H new ATOM 0 HB2 ASP A 60 14.718 3.030 -9.327 1.00 53.25 H new ATOM 0 HB3 ASP A 60 14.650 1.649 -10.405 1.00 53.25 H new ATOM 810 N LYS A 61 13.124 4.040 -13.068 1.00 22.20 N ATOM 811 CA LYS A 61 13.052 4.070 -14.519 1.00 53.25 C ATOM 812 C LYS A 61 14.337 3.565 -15.154 1.00 60.43 C ATOM 813 O LYS A 61 14.263 3.001 -16.246 1.00 15.24 O ATOM 814 CB LYS A 61 12.808 5.522 -14.929 1.00 24.42 C ATOM 815 CG LYS A 61 12.797 5.792 -16.436 1.00 22.53 C ATOM 816 CD LYS A 61 11.762 5.023 -17.267 1.00 52.25 C ATOM 817 CE LYS A 61 12.060 5.324 -18.740 1.00 34.30 C ATOM 818 NZ LYS A 61 11.226 4.538 -19.671 1.00 64.32 N ATOM 0 H LYS A 61 13.348 4.952 -12.669 1.00 22.20 H new ATOM 0 HA LYS A 61 12.248 3.418 -14.860 1.00 53.25 H new ATOM 0 HB2 LYS A 61 11.852 5.842 -14.514 1.00 24.42 H new ATOM 0 HB3 LYS A 61 13.578 6.144 -14.472 1.00 24.42 H new ATOM 0 HG2 LYS A 61 12.632 6.858 -16.589 1.00 22.53 H new ATOM 0 HG3 LYS A 61 13.787 5.563 -16.830 1.00 22.53 H new ATOM 0 HD2 LYS A 61 11.828 3.953 -17.071 1.00 52.25 H new ATOM 0 HD3 LYS A 61 10.750 5.333 -17.007 1.00 52.25 H new ATOM 0 HE2 LYS A 61 11.901 6.386 -18.927 1.00 34.30 H new ATOM 0 HE3 LYS A 61 13.111 5.119 -18.941 1.00 34.30 H new ATOM 0 HZ1 LYS A 61 11.473 4.785 -20.651 1.00 64.32 H new ATOM 0 HZ2 LYS A 61 11.395 3.524 -19.516 1.00 64.32 H new ATOM 0 HZ3 LYS A 61 10.222 4.752 -19.503 1.00 64.32 H new ATOM 828 N GLN A 62 15.502 3.795 -14.544 1.00 13.04 N ATOM 829 CA GLN A 62 16.746 3.341 -15.141 1.00 62.24 C ATOM 830 C GLN A 62 16.767 1.818 -15.160 1.00 1.14 C ATOM 831 O GLN A 62 16.981 1.197 -16.203 1.00 62.54 O ATOM 832 CB GLN A 62 17.958 3.896 -14.401 1.00 55.25 C ATOM 833 CG GLN A 62 18.063 5.427 -14.490 1.00 54.15 C ATOM 834 CD GLN A 62 19.512 5.920 -14.563 1.00 20.20 C ATOM 835 OE1 GLN A 62 20.450 5.237 -14.157 1.00 31.30 O ATOM 836 NE2 GLN A 62 19.748 7.086 -15.134 1.00 53.21 N ATOM 0 H GLN A 62 15.604 4.284 -13.654 1.00 13.04 H new ATOM 0 HA GLN A 62 16.801 3.715 -16.163 1.00 62.24 H new ATOM 0 HB2 GLN A 62 17.904 3.601 -13.353 1.00 55.25 H new ATOM 0 HB3 GLN A 62 18.864 3.450 -14.812 1.00 55.25 H new ATOM 0 HG2 GLN A 62 17.522 5.773 -15.370 1.00 54.15 H new ATOM 0 HG3 GLN A 62 17.576 5.871 -13.622 1.00 54.15 H new ATOM 0 HE21 GLN A 62 18.972 7.655 -15.472 1.00 53.21 H new ATOM 0 HE22 GLN A 62 20.707 7.418 -15.238 1.00 53.21 H new ATOM 843 N THR A 63 16.540 1.225 -13.997 1.00 51.35 N ATOM 844 CA THR A 63 16.588 -0.207 -13.779 1.00 41.04 C ATOM 845 C THR A 63 15.161 -0.761 -13.808 1.00 23.12 C ATOM 846 O THR A 63 14.238 -0.108 -14.301 1.00 32.33 O ATOM 847 CB THR A 63 17.362 -0.474 -12.477 1.00 3.02 C ATOM 848 OG1 THR A 63 16.663 0.045 -11.369 1.00 2.31 O ATOM 849 CG2 THR A 63 18.757 0.156 -12.503 1.00 72.51 C ATOM 0 H THR A 63 16.310 1.749 -13.153 1.00 51.35 H new ATOM 0 HA THR A 63 17.126 -0.734 -14.567 1.00 41.04 H new ATOM 0 HB THR A 63 17.462 -1.556 -12.389 1.00 3.02 H new ATOM 0 HG1 THR A 63 16.896 0.989 -11.248 1.00 2.31 H new ATOM 0 HG21 THR A 63 19.270 -0.056 -11.565 1.00 72.51 H new ATOM 0 HG22 THR A 63 19.329 -0.261 -13.332 1.00 72.51 H new ATOM 0 HG23 THR A 63 18.667 1.235 -12.631 1.00 72.51 H new ATOM 857 N GLN A 64 14.969 -1.989 -13.324 1.00 53.14 N ATOM 858 CA GLN A 64 13.665 -2.617 -13.162 1.00 63.55 C ATOM 859 C GLN A 64 13.547 -3.067 -11.707 1.00 34.10 C ATOM 860 O GLN A 64 13.313 -4.244 -11.433 1.00 71.14 O ATOM 861 CB GLN A 64 13.525 -3.772 -14.172 1.00 22.11 C ATOM 862 CG GLN A 64 13.598 -3.336 -15.644 1.00 13.03 C ATOM 863 CD GLN A 64 12.329 -2.621 -16.099 1.00 62.41 C ATOM 864 OE1 GLN A 64 11.482 -3.191 -16.780 1.00 22.32 O ATOM 865 NE2 GLN A 64 12.164 -1.362 -15.738 1.00 71.44 N ATOM 0 H GLN A 64 15.740 -2.587 -13.027 1.00 53.14 H new ATOM 0 HA GLN A 64 12.847 -1.927 -13.371 1.00 63.55 H new ATOM 0 HB2 GLN A 64 14.311 -4.503 -13.982 1.00 22.11 H new ATOM 0 HB3 GLN A 64 12.574 -4.276 -14.001 1.00 22.11 H new ATOM 0 HG2 GLN A 64 14.454 -2.676 -15.783 1.00 13.03 H new ATOM 0 HG3 GLN A 64 13.765 -4.211 -16.272 1.00 13.03 H new ATOM 0 HE21 GLN A 64 12.873 -0.897 -15.172 1.00 71.44 H new ATOM 0 HE22 GLN A 64 11.327 -0.855 -16.025 1.00 71.44 H new ATOM 872 N LEU A 65 13.779 -2.139 -10.779 1.00 43.05 N ATOM 873 CA LEU A 65 13.924 -2.382 -9.346 1.00 14.00 C ATOM 874 C LEU A 65 13.094 -1.346 -8.594 1.00 33.14 C ATOM 875 O LEU A 65 12.690 -0.343 -9.185 1.00 52.44 O ATOM 876 CB LEU A 65 15.399 -2.241 -8.929 1.00 3.12 C ATOM 877 CG LEU A 65 16.420 -3.056 -9.747 1.00 34.21 C ATOM 878 CD1 LEU A 65 17.829 -2.624 -9.341 1.00 53.13 C ATOM 879 CD2 LEU A 65 16.258 -4.575 -9.611 1.00 1.31 C ATOM 0 H LEU A 65 13.875 -1.152 -11.018 1.00 43.05 H new ATOM 0 HA LEU A 65 13.585 -3.391 -9.112 1.00 14.00 H new ATOM 0 HB2 LEU A 65 15.673 -1.188 -8.991 1.00 3.12 H new ATOM 0 HB3 LEU A 65 15.488 -2.532 -7.882 1.00 3.12 H new ATOM 0 HG LEU A 65 16.237 -2.843 -10.800 1.00 34.21 H new ATOM 0 HD11 LEU A 65 18.563 -3.193 -9.912 1.00 53.13 H new ATOM 0 HD12 LEU A 65 17.956 -1.561 -9.544 1.00 53.13 H new ATOM 0 HD13 LEU A 65 17.974 -2.810 -8.277 1.00 53.13 H new ATOM 0 HD21 LEU A 65 17.013 -5.077 -10.216 1.00 1.31 H new ATOM 0 HD22 LEU A 65 16.381 -4.862 -8.567 1.00 1.31 H new ATOM 0 HD23 LEU A 65 15.265 -4.867 -9.953 1.00 1.31 H new ATOM 890 N ASN A 66 12.876 -1.552 -7.296 1.00 20.54 N ATOM 891 CA ASN A 66 12.161 -0.613 -6.425 1.00 72.22 C ATOM 892 C ASN A 66 12.932 0.667 -6.191 1.00 4.02 C ATOM 893 O ASN A 66 13.993 0.881 -6.785 1.00 40.14 O ATOM 894 CB ASN A 66 11.812 -1.248 -5.075 1.00 22.41 C ATOM 895 CG ASN A 66 12.867 -1.317 -3.981 1.00 1.30 C ATOM 896 OD1 ASN A 66 13.981 -0.821 -4.082 1.00 44.44 O ATOM 897 ND2 ASN A 66 12.531 -1.918 -2.861 1.00 55.32 N ATOM 0 H ASN A 66 13.196 -2.390 -6.809 1.00 20.54 H new ATOM 0 HA ASN A 66 11.241 -0.364 -6.954 1.00 72.22 H new ATOM 0 HB2 ASN A 66 10.958 -0.705 -4.670 1.00 22.41 H new ATOM 0 HB3 ASN A 66 11.478 -2.267 -5.271 1.00 22.41 H new ATOM 0 HD21 ASN A 66 13.196 -1.967 -2.089 1.00 55.32 H new ATOM 0 HD22 ASN A 66 11.605 -2.335 -2.764 1.00 55.32 H new ATOM 903 N ARG A 67 12.426 1.489 -5.260 1.00 54.11 N ATOM 904 CA ARG A 67 13.187 2.596 -4.737 1.00 13.00 C ATOM 905 C ARG A 67 13.337 2.649 -3.210 1.00 73.44 C ATOM 906 O ARG A 67 13.230 3.725 -2.615 1.00 24.32 O ATOM 907 CB ARG A 67 12.609 3.914 -5.286 1.00 73.15 C ATOM 908 CG ARG A 67 12.289 3.983 -6.780 1.00 15.01 C ATOM 909 CD ARG A 67 11.454 5.237 -7.050 1.00 41.35 C ATOM 910 NE ARG A 67 12.141 6.529 -6.844 1.00 44.12 N ATOM 911 CZ ARG A 67 13.056 7.106 -7.637 1.00 4.42 C ATOM 912 NH1 ARG A 67 13.825 6.389 -8.447 1.00 2.43 N ATOM 913 NH2 ARG A 67 13.191 8.427 -7.622 1.00 14.40 N ATOM 0 H ARG A 67 11.491 1.395 -4.864 1.00 54.11 H new ATOM 0 HA ARG A 67 14.208 2.441 -5.086 1.00 13.00 H new ATOM 0 HB2 ARG A 67 11.693 4.133 -4.737 1.00 73.15 H new ATOM 0 HB3 ARG A 67 13.316 4.711 -5.057 1.00 73.15 H new ATOM 0 HG2 ARG A 67 13.210 4.011 -7.362 1.00 15.01 H new ATOM 0 HG3 ARG A 67 11.743 3.092 -7.090 1.00 15.01 H new ATOM 0 HD2 ARG A 67 11.098 5.198 -8.079 1.00 41.35 H new ATOM 0 HD3 ARG A 67 10.574 5.209 -6.407 1.00 41.35 H new ATOM 0 HE ARG A 67 11.890 7.042 -5.999 1.00 44.12 H new ATOM 0 HH11 ARG A 67 13.728 5.374 -8.477 1.00 2.43 H new ATOM 0 HH12 ARG A 67 14.513 6.853 -9.040 1.00 2.43 H new ATOM 0 HH21 ARG A 67 12.602 8.993 -7.011 1.00 14.40 H new ATOM 0 HH22 ARG A 67 13.884 8.876 -8.221 1.00 14.40 H new ATOM 924 N GLY A 68 13.531 1.503 -2.556 1.00 44.33 N ATOM 925 CA GLY A 68 13.723 1.367 -1.114 1.00 34.30 C ATOM 926 C GLY A 68 12.570 1.904 -0.276 1.00 51.23 C ATOM 927 O GLY A 68 12.738 2.102 0.925 1.00 20.24 O ATOM 0 H GLY A 68 13.560 0.605 -3.040 1.00 44.33 H new ATOM 0 HA2 GLY A 68 13.870 0.313 -0.876 1.00 34.30 H new ATOM 0 HA3 GLY A 68 14.637 1.888 -0.830 1.00 34.30 H new ATOM 931 N PHE A 69 11.380 2.062 -0.859 1.00 22.34 N ATOM 932 CA PHE A 69 10.140 2.275 -0.131 1.00 52.45 C ATOM 933 C PHE A 69 8.983 1.621 -0.881 1.00 52.34 C ATOM 934 O PHE A 69 9.165 1.127 -2.002 1.00 0.33 O ATOM 935 CB PHE A 69 9.922 3.769 0.067 1.00 33.21 C ATOM 936 CG PHE A 69 9.208 4.474 -1.069 1.00 34.30 C ATOM 937 CD1 PHE A 69 9.777 4.587 -2.354 1.00 0.43 C ATOM 938 CD2 PHE A 69 7.921 4.980 -0.839 1.00 54.11 C ATOM 939 CE1 PHE A 69 9.074 5.230 -3.390 1.00 62.15 C ATOM 940 CE2 PHE A 69 7.225 5.632 -1.858 1.00 35.52 C ATOM 941 CZ PHE A 69 7.796 5.762 -3.134 1.00 71.15 C ATOM 0 H PHE A 69 11.255 2.044 -1.871 1.00 22.34 H new ATOM 0 HA PHE A 69 10.195 1.811 0.854 1.00 52.45 H new ATOM 0 HB2 PHE A 69 9.350 3.918 0.983 1.00 33.21 H new ATOM 0 HB3 PHE A 69 10.891 4.245 0.216 1.00 33.21 H new ATOM 0 HD1 PHE A 69 10.758 4.178 -2.545 1.00 0.43 H new ATOM 0 HD2 PHE A 69 7.465 4.865 0.133 1.00 54.11 H new ATOM 0 HE1 PHE A 69 9.512 5.315 -4.374 1.00 62.15 H new ATOM 0 HE2 PHE A 69 6.243 6.038 -1.664 1.00 35.52 H new ATOM 0 HZ PHE A 69 7.255 6.270 -3.919 1.00 71.15 H new ATOM 950 N ALA A 70 7.785 1.667 -0.302 1.00 13.21 N ATOM 951 CA ALA A 70 6.528 1.540 -1.030 1.00 41.31 C ATOM 952 C ALA A 70 5.424 2.246 -0.225 1.00 51.41 C ATOM 953 O ALA A 70 5.677 2.688 0.896 1.00 21.40 O ATOM 954 CB ALA A 70 6.242 0.058 -1.286 1.00 63.32 C ATOM 0 H ALA A 70 7.660 1.796 0.702 1.00 13.21 H new ATOM 0 HA ALA A 70 6.577 2.022 -2.007 1.00 41.31 H new ATOM 0 HB1 ALA A 70 5.303 -0.043 -1.830 1.00 63.32 H new ATOM 0 HB2 ALA A 70 7.051 -0.372 -1.876 1.00 63.32 H new ATOM 0 HB3 ALA A 70 6.168 -0.468 -0.334 1.00 63.32 H new ATOM 960 N PHE A 71 4.219 2.368 -0.777 1.00 53.22 N ATOM 961 CA PHE A 71 3.136 3.244 -0.285 1.00 61.32 C ATOM 962 C PHE A 71 1.811 2.473 -0.143 1.00 35.12 C ATOM 963 O PHE A 71 1.606 1.488 -0.854 1.00 54.35 O ATOM 964 CB PHE A 71 2.956 4.417 -1.281 1.00 35.43 C ATOM 965 CG PHE A 71 3.416 5.808 -0.875 1.00 42.45 C ATOM 966 CD1 PHE A 71 3.420 6.242 0.467 1.00 71.14 C ATOM 967 CD2 PHE A 71 3.808 6.710 -1.886 1.00 1.44 C ATOM 968 CE1 PHE A 71 3.868 7.534 0.793 1.00 33.43 C ATOM 969 CE2 PHE A 71 4.294 7.986 -1.555 1.00 12.43 C ATOM 970 CZ PHE A 71 4.357 8.389 -0.211 1.00 21.51 C ATOM 0 H PHE A 71 3.951 1.844 -1.610 1.00 53.22 H new ATOM 0 HA PHE A 71 3.408 3.620 0.701 1.00 61.32 H new ATOM 0 HB2 PHE A 71 3.481 4.152 -2.199 1.00 35.43 H new ATOM 0 HB3 PHE A 71 1.896 4.480 -1.527 1.00 35.43 H new ATOM 0 HD1 PHE A 71 3.077 5.579 1.248 1.00 71.14 H new ATOM 0 HD2 PHE A 71 3.734 6.417 -2.923 1.00 1.44 H new ATOM 0 HE1 PHE A 71 3.837 7.871 1.818 1.00 33.43 H new ATOM 0 HE2 PHE A 71 4.620 8.658 -2.335 1.00 12.43 H new ATOM 0 HZ PHE A 71 4.778 9.349 0.050 1.00 21.51 H new ATOM 979 N ILE A 72 0.898 2.919 0.729 1.00 52.35 N ATOM 980 CA ILE A 72 -0.393 2.284 1.019 1.00 63.21 C ATOM 981 C ILE A 72 -1.438 3.401 1.184 1.00 73.22 C ATOM 982 O ILE A 72 -1.345 4.174 2.142 1.00 52.23 O ATOM 983 CB ILE A 72 -0.261 1.429 2.306 1.00 2.41 C ATOM 984 CG1 ILE A 72 0.663 0.203 2.142 1.00 62.45 C ATOM 985 CG2 ILE A 72 -1.609 0.988 2.907 1.00 23.32 C ATOM 986 CD1 ILE A 72 0.818 -0.614 3.437 1.00 35.12 C ATOM 0 H ILE A 72 1.045 3.768 1.275 1.00 52.35 H new ATOM 0 HA ILE A 72 -0.705 1.621 0.212 1.00 63.21 H new ATOM 0 HB ILE A 72 0.207 2.114 3.013 1.00 2.41 H new ATOM 0 HG12 ILE A 72 0.265 -0.442 1.358 1.00 62.45 H new ATOM 0 HG13 ILE A 72 1.646 0.538 1.811 1.00 62.45 H new ATOM 0 HG21 ILE A 72 -1.431 0.395 3.804 1.00 23.32 H new ATOM 0 HG22 ILE A 72 -2.198 1.868 3.165 1.00 23.32 H new ATOM 0 HG23 ILE A 72 -2.154 0.388 2.178 1.00 23.32 H new ATOM 0 HD11 ILE A 72 1.479 -1.461 3.256 1.00 35.12 H new ATOM 0 HD12 ILE A 72 1.243 0.018 4.217 1.00 35.12 H new ATOM 0 HD13 ILE A 72 -0.159 -0.978 3.757 1.00 35.12 H new ATOM 997 N GLN A 73 -2.440 3.475 0.294 1.00 51.24 N ATOM 998 CA GLN A 73 -3.619 4.338 0.462 1.00 44.34 C ATOM 999 C GLN A 73 -4.575 3.713 1.491 1.00 52.22 C ATOM 1000 O GLN A 73 -5.216 2.702 1.183 1.00 41.32 O ATOM 1001 CB GLN A 73 -4.345 4.530 -0.886 1.00 72.53 C ATOM 1002 CG GLN A 73 -5.526 5.516 -0.764 1.00 3.14 C ATOM 1003 CD GLN A 73 -6.468 5.559 -1.972 1.00 35.52 C ATOM 1004 OE1 GLN A 73 -6.185 5.055 -3.061 1.00 52.24 O ATOM 1005 NE2 GLN A 73 -7.642 6.137 -1.784 1.00 40.24 N ATOM 0 H GLN A 73 -2.454 2.933 -0.570 1.00 51.24 H new ATOM 0 HA GLN A 73 -3.292 5.314 0.820 1.00 44.34 H new ATOM 0 HB2 GLN A 73 -3.639 4.898 -1.630 1.00 72.53 H new ATOM 0 HB3 GLN A 73 -4.710 3.567 -1.243 1.00 72.53 H new ATOM 0 HG2 GLN A 73 -6.107 5.254 0.120 1.00 3.14 H new ATOM 0 HG3 GLN A 73 -5.127 6.517 -0.599 1.00 3.14 H new ATOM 0 HE21 GLN A 73 -7.867 6.551 -0.880 1.00 40.24 H new ATOM 0 HE22 GLN A 73 -8.322 6.169 -2.543 1.00 40.24 H new ATOM 1012 N LEU A 74 -4.712 4.292 2.685 1.00 21.23 N ATOM 1013 CA LEU A 74 -5.639 3.819 3.714 1.00 43.05 C ATOM 1014 C LEU A 74 -6.461 4.992 4.247 1.00 32.14 C ATOM 1015 O LEU A 74 -6.032 6.142 4.187 1.00 60.24 O ATOM 1016 CB LEU A 74 -4.869 3.136 4.863 1.00 34.10 C ATOM 1017 CG LEU A 74 -5.161 1.643 5.107 1.00 2.42 C ATOM 1018 CD1 LEU A 74 -6.574 1.450 5.654 1.00 75.25 C ATOM 1019 CD2 LEU A 74 -4.950 0.740 3.888 1.00 13.44 C ATOM 0 H LEU A 74 -4.176 5.112 2.968 1.00 21.23 H new ATOM 0 HA LEU A 74 -6.313 3.085 3.272 1.00 43.05 H new ATOM 0 HB2 LEU A 74 -3.802 3.246 4.669 1.00 34.10 H new ATOM 0 HB3 LEU A 74 -5.083 3.678 5.784 1.00 34.10 H new ATOM 0 HG LEU A 74 -4.422 1.330 5.844 1.00 2.42 H new ATOM 0 HD11 LEU A 74 -6.759 0.388 5.819 1.00 75.25 H new ATOM 0 HD12 LEU A 74 -6.675 1.987 6.597 1.00 75.25 H new ATOM 0 HD13 LEU A 74 -7.298 1.837 4.937 1.00 75.25 H new ATOM 0 HD21 LEU A 74 -5.180 -0.291 4.155 1.00 13.44 H new ATOM 0 HD22 LEU A 74 -5.607 1.060 3.080 1.00 13.44 H new ATOM 0 HD23 LEU A 74 -3.913 0.808 3.560 1.00 13.44 H new ATOM 1030 N SER A 75 -7.621 4.649 4.797 1.00 13.31 N ATOM 1031 CA SER A 75 -8.578 5.513 5.467 1.00 3.41 C ATOM 1032 C SER A 75 -8.004 6.020 6.800 1.00 12.13 C ATOM 1033 O SER A 75 -7.202 5.322 7.414 1.00 22.21 O ATOM 1034 CB SER A 75 -9.814 4.626 5.647 1.00 53.11 C ATOM 1035 OG SER A 75 -10.853 5.158 6.445 1.00 13.04 O ATOM 0 H SER A 75 -7.939 3.680 4.783 1.00 13.31 H new ATOM 0 HA SER A 75 -8.819 6.416 4.907 1.00 3.41 H new ATOM 0 HB2 SER A 75 -10.220 4.400 4.661 1.00 53.11 H new ATOM 0 HB3 SER A 75 -9.496 3.680 6.085 1.00 53.11 H new ATOM 0 HG SER A 75 -11.455 4.436 6.722 1.00 13.04 H new ATOM 1040 N THR A 76 -8.461 7.177 7.291 1.00 61.55 N ATOM 1041 CA THR A 76 -7.927 7.909 8.453 1.00 14.03 C ATOM 1042 C THR A 76 -7.627 7.008 9.667 1.00 62.41 C ATOM 1043 O THR A 76 -6.462 6.796 10.013 1.00 2.11 O ATOM 1044 CB THR A 76 -8.877 9.070 8.855 1.00 52.04 C ATOM 1045 OG1 THR A 76 -9.862 9.333 7.874 1.00 60.52 O ATOM 1046 CG2 THR A 76 -8.127 10.374 9.125 1.00 64.35 C ATOM 0 H THR A 76 -9.256 7.657 6.868 1.00 61.55 H new ATOM 0 HA THR A 76 -6.968 8.320 8.136 1.00 14.03 H new ATOM 0 HB THR A 76 -9.357 8.726 9.771 1.00 52.04 H new ATOM 0 HG1 THR A 76 -10.435 10.069 8.175 1.00 60.52 H new ATOM 0 HG21 THR A 76 -8.838 11.152 9.402 1.00 64.35 H new ATOM 0 HG22 THR A 76 -7.418 10.224 9.939 1.00 64.35 H new ATOM 0 HG23 THR A 76 -7.589 10.677 8.227 1.00 64.35 H new ATOM 1054 N ILE A 77 -8.660 6.487 10.343 1.00 34.30 N ATOM 1055 CA ILE A 77 -8.480 5.720 11.579 1.00 74.53 C ATOM 1056 C ILE A 77 -7.792 4.399 11.246 1.00 20.21 C ATOM 1057 O ILE A 77 -6.989 3.887 12.021 1.00 13.44 O ATOM 1058 CB ILE A 77 -9.836 5.477 12.288 1.00 51.03 C ATOM 1059 CG1 ILE A 77 -10.530 6.816 12.621 1.00 62.42 C ATOM 1060 CG2 ILE A 77 -9.626 4.647 13.569 1.00 52.35 C ATOM 1061 CD1 ILE A 77 -11.879 6.679 13.334 1.00 11.34 C ATOM 0 H ILE A 77 -9.633 6.585 10.051 1.00 34.30 H new ATOM 0 HA ILE A 77 -7.856 6.289 12.268 1.00 74.53 H new ATOM 0 HB ILE A 77 -10.482 4.919 11.610 1.00 51.03 H new ATOM 0 HG12 ILE A 77 -9.863 7.410 13.246 1.00 62.42 H new ATOM 0 HG13 ILE A 77 -10.679 7.372 11.696 1.00 62.42 H new ATOM 0 HG21 ILE A 77 -10.586 4.483 14.058 1.00 52.35 H new ATOM 0 HG22 ILE A 77 -9.182 3.686 13.311 1.00 52.35 H new ATOM 0 HG23 ILE A 77 -8.961 5.184 14.246 1.00 52.35 H new ATOM 0 HD11 ILE A 77 -12.291 7.670 13.527 1.00 11.34 H new ATOM 0 HD12 ILE A 77 -12.568 6.116 12.704 1.00 11.34 H new ATOM 0 HD13 ILE A 77 -11.739 6.154 14.279 1.00 11.34 H new ATOM 1072 N GLU A 78 -8.118 3.833 10.092 1.00 63.22 N ATOM 1073 CA GLU A 78 -7.668 2.520 9.683 1.00 51.43 C ATOM 1074 C GLU A 78 -6.159 2.546 9.437 1.00 15.22 C ATOM 1075 O GLU A 78 -5.471 1.593 9.791 1.00 72.33 O ATOM 1076 CB GLU A 78 -8.482 2.076 8.468 1.00 40.24 C ATOM 1077 CG GLU A 78 -9.961 1.906 8.830 1.00 54.21 C ATOM 1078 CD GLU A 78 -10.871 1.993 7.611 1.00 3.30 C ATOM 1079 OE1 GLU A 78 -10.785 1.129 6.710 1.00 41.14 O ATOM 1080 OE2 GLU A 78 -11.709 2.921 7.556 1.00 40.32 O ATOM 0 H GLU A 78 -8.716 4.288 9.403 1.00 63.22 H new ATOM 0 HA GLU A 78 -7.835 1.782 10.467 1.00 51.43 H new ATOM 0 HB2 GLU A 78 -8.382 2.812 7.670 1.00 40.24 H new ATOM 0 HB3 GLU A 78 -8.087 1.135 8.085 1.00 40.24 H new ATOM 0 HG2 GLU A 78 -10.104 0.942 9.319 1.00 54.21 H new ATOM 0 HG3 GLU A 78 -10.247 2.674 9.549 1.00 54.21 H new ATOM 1085 N ALA A 79 -5.633 3.668 8.940 1.00 60.15 N ATOM 1086 CA ALA A 79 -4.217 3.897 8.720 1.00 53.44 C ATOM 1087 C ALA A 79 -3.503 3.796 10.072 1.00 62.15 C ATOM 1088 O ALA A 79 -2.466 3.139 10.207 1.00 23.23 O ATOM 1089 CB ALA A 79 -3.985 5.259 8.045 1.00 33.11 C ATOM 0 H ALA A 79 -6.209 4.466 8.672 1.00 60.15 H new ATOM 0 HA ALA A 79 -3.809 3.145 8.044 1.00 53.44 H new ATOM 0 HB1 ALA A 79 -2.917 5.411 7.889 1.00 33.11 H new ATOM 0 HB2 ALA A 79 -4.499 5.281 7.084 1.00 33.11 H new ATOM 0 HB3 ALA A 79 -4.375 6.052 8.683 1.00 33.11 H new ATOM 1095 N ALA A 80 -4.097 4.446 11.078 1.00 42.45 N ATOM 1096 CA ALA A 80 -3.533 4.556 12.405 1.00 20.22 C ATOM 1097 C ALA A 80 -3.603 3.242 13.196 1.00 55.22 C ATOM 1098 O ALA A 80 -2.624 2.855 13.829 1.00 32.24 O ATOM 1099 CB ALA A 80 -4.225 5.691 13.165 1.00 4.41 C ATOM 0 H ALA A 80 -4.998 4.914 10.980 1.00 42.45 H new ATOM 0 HA ALA A 80 -2.473 4.784 12.293 1.00 20.22 H new ATOM 0 HB1 ALA A 80 -3.799 5.772 14.165 1.00 4.41 H new ATOM 0 HB2 ALA A 80 -4.078 6.629 12.630 1.00 4.41 H new ATOM 0 HB3 ALA A 80 -5.292 5.480 13.242 1.00 4.41 H new ATOM 1105 N GLN A 81 -4.757 2.574 13.243 1.00 15.21 N ATOM 1106 CA GLN A 81 -4.950 1.362 14.050 1.00 54.03 C ATOM 1107 C GLN A 81 -4.154 0.186 13.490 1.00 31.30 C ATOM 1108 O GLN A 81 -3.639 -0.622 14.260 1.00 51.45 O ATOM 1109 CB GLN A 81 -6.454 1.041 14.156 1.00 40.41 C ATOM 1110 CG GLN A 81 -7.021 0.454 12.856 1.00 20.12 C ATOM 1111 CD GLN A 81 -8.539 0.340 12.781 1.00 15.12 C ATOM 1112 OE1 GLN A 81 -9.295 0.813 13.630 1.00 15.01 O ATOM 1113 NE2 GLN A 81 -9.019 -0.331 11.746 1.00 20.23 N ATOM 0 H GLN A 81 -5.587 2.857 12.722 1.00 15.21 H new ATOM 0 HA GLN A 81 -4.567 1.544 15.054 1.00 54.03 H new ATOM 0 HB2 GLN A 81 -6.615 0.335 14.971 1.00 40.41 H new ATOM 0 HB3 GLN A 81 -7.000 1.950 14.409 1.00 40.41 H new ATOM 0 HG2 GLN A 81 -6.681 1.070 12.024 1.00 20.12 H new ATOM 0 HG3 GLN A 81 -6.594 -0.539 12.712 1.00 20.12 H new ATOM 0 HE21 GLN A 81 -8.382 -0.718 11.049 1.00 20.23 H new ATOM 0 HE22 GLN A 81 -10.026 -0.461 11.645 1.00 20.23 H new ATOM 1120 N LEU A 82 -4.028 0.091 12.161 1.00 43.21 N ATOM 1121 CA LEU A 82 -3.214 -0.949 11.541 1.00 14.40 C ATOM 1122 C LEU A 82 -1.770 -0.795 12.006 1.00 51.41 C ATOM 1123 O LEU A 82 -1.131 -1.801 12.307 1.00 15.11 O ATOM 1124 CB LEU A 82 -3.329 -0.903 10.005 1.00 24.14 C ATOM 1125 CG LEU A 82 -4.414 -1.813 9.388 1.00 72.11 C ATOM 1126 CD1 LEU A 82 -3.953 -3.273 9.365 1.00 61.51 C ATOM 1127 CD2 LEU A 82 -5.788 -1.753 10.074 1.00 2.31 C ATOM 0 H LEU A 82 -4.480 0.722 11.500 1.00 43.21 H new ATOM 0 HA LEU A 82 -3.579 -1.928 11.851 1.00 14.40 H new ATOM 0 HB2 LEU A 82 -3.529 0.125 9.704 1.00 24.14 H new ATOM 0 HB3 LEU A 82 -2.364 -1.178 9.578 1.00 24.14 H new ATOM 0 HG LEU A 82 -4.547 -1.419 8.381 1.00 72.11 H new ATOM 0 HD11 LEU A 82 -4.734 -3.894 8.926 1.00 61.51 H new ATOM 0 HD12 LEU A 82 -3.044 -3.358 8.770 1.00 61.51 H new ATOM 0 HD13 LEU A 82 -3.753 -3.607 10.383 1.00 61.51 H new ATOM 0 HD21 LEU A 82 -6.478 -2.427 9.566 1.00 2.31 H new ATOM 0 HD22 LEU A 82 -5.688 -2.054 11.117 1.00 2.31 H new ATOM 0 HD23 LEU A 82 -6.174 -0.735 10.026 1.00 2.31 H new ATOM 1138 N LEU A 83 -1.288 0.447 12.161 1.00 75.22 N ATOM 1139 CA LEU A 83 0.110 0.740 12.456 1.00 62.44 C ATOM 1140 C LEU A 83 0.613 -0.010 13.687 1.00 22.40 C ATOM 1141 O LEU A 83 1.780 -0.389 13.751 1.00 71.51 O ATOM 1142 CB LEU A 83 0.286 2.251 12.684 1.00 22.42 C ATOM 1143 CG LEU A 83 1.755 2.707 12.643 1.00 43.15 C ATOM 1144 CD1 LEU A 83 2.339 2.566 11.234 1.00 71.35 C ATOM 1145 CD2 LEU A 83 1.830 4.168 13.087 1.00 0.40 C ATOM 0 H LEU A 83 -1.870 1.281 12.083 1.00 75.22 H new ATOM 0 HA LEU A 83 0.696 0.409 11.599 1.00 62.44 H new ATOM 0 HB2 LEU A 83 -0.277 2.794 11.924 1.00 22.42 H new ATOM 0 HB3 LEU A 83 -0.143 2.518 13.650 1.00 22.42 H new ATOM 0 HG LEU A 83 2.338 2.076 13.314 1.00 43.15 H new ATOM 0 HD11 LEU A 83 3.378 2.896 11.236 1.00 71.35 H new ATOM 0 HD12 LEU A 83 2.290 1.523 10.923 1.00 71.35 H new ATOM 0 HD13 LEU A 83 1.765 3.179 10.539 1.00 71.35 H new ATOM 0 HD21 LEU A 83 2.867 4.503 13.062 1.00 0.40 H new ATOM 0 HD22 LEU A 83 1.233 4.784 12.414 1.00 0.40 H new ATOM 0 HD23 LEU A 83 1.443 4.260 14.102 1.00 0.40 H new ATOM 1156 N GLN A 84 -0.272 -0.199 14.664 1.00 60.22 N ATOM 1157 CA GLN A 84 -0.006 -0.900 15.906 1.00 75.21 C ATOM 1158 C GLN A 84 0.265 -2.375 15.641 1.00 0.34 C ATOM 1159 O GLN A 84 1.281 -2.914 16.081 1.00 24.32 O ATOM 1160 CB GLN A 84 -1.226 -0.698 16.823 1.00 31.50 C ATOM 1161 CG GLN A 84 -1.155 0.676 17.489 1.00 1.12 C ATOM 1162 CD GLN A 84 -2.435 1.064 18.226 1.00 43.31 C ATOM 1163 OE1 GLN A 84 -3.529 0.532 18.026 1.00 62.35 O ATOM 1164 NE2 GLN A 84 -2.340 2.092 19.047 1.00 32.35 N ATOM 0 H GLN A 84 -1.229 0.148 14.604 1.00 60.22 H new ATOM 0 HA GLN A 84 0.886 -0.504 16.392 1.00 75.21 H new ATOM 0 HB2 GLN A 84 -2.145 -0.784 16.244 1.00 31.50 H new ATOM 0 HB3 GLN A 84 -1.254 -1.479 17.583 1.00 31.50 H new ATOM 0 HG2 GLN A 84 -0.323 0.687 18.193 1.00 1.12 H new ATOM 0 HG3 GLN A 84 -0.940 1.428 16.730 1.00 1.12 H new ATOM 0 HE21 GLN A 84 -1.434 2.531 19.212 1.00 32.35 H new ATOM 0 HE22 GLN A 84 -3.172 2.448 19.517 1.00 32.35 H new ATOM 1171 N ILE A 85 -0.651 -3.009 14.914 1.00 55.05 N ATOM 1172 CA ILE A 85 -0.628 -4.425 14.591 1.00 73.15 C ATOM 1173 C ILE A 85 0.629 -4.728 13.768 1.00 41.01 C ATOM 1174 O ILE A 85 1.301 -5.733 13.999 1.00 21.42 O ATOM 1175 CB ILE A 85 -1.925 -4.814 13.854 1.00 20.42 C ATOM 1176 CG1 ILE A 85 -3.172 -4.392 14.673 1.00 73.43 C ATOM 1177 CG2 ILE A 85 -1.932 -6.343 13.642 1.00 44.35 C ATOM 1178 CD1 ILE A 85 -4.478 -4.507 13.891 1.00 51.31 C ATOM 0 H ILE A 85 -1.460 -2.528 14.520 1.00 55.05 H new ATOM 0 HA ILE A 85 -0.586 -5.026 15.499 1.00 73.15 H new ATOM 0 HB ILE A 85 -1.961 -4.299 12.894 1.00 20.42 H new ATOM 0 HG12 ILE A 85 -3.237 -5.012 15.567 1.00 73.43 H new ATOM 0 HG13 ILE A 85 -3.047 -3.362 15.007 1.00 73.43 H new ATOM 0 HG21 ILE A 85 -2.844 -6.634 13.121 1.00 44.35 H new ATOM 0 HG22 ILE A 85 -1.066 -6.632 13.046 1.00 44.35 H new ATOM 0 HG23 ILE A 85 -1.890 -6.845 14.609 1.00 44.35 H new ATOM 0 HD11 ILE A 85 -5.309 -4.196 14.524 1.00 51.31 H new ATOM 0 HD12 ILE A 85 -4.433 -3.866 13.011 1.00 51.31 H new ATOM 0 HD13 ILE A 85 -4.626 -5.541 13.580 1.00 51.31 H new ATOM 1189 N LEU A 86 0.975 -3.840 12.827 1.00 4.22 N ATOM 1190 CA LEU A 86 2.074 -4.074 11.892 1.00 3.32 C ATOM 1191 C LEU A 86 3.411 -4.226 12.616 1.00 12.04 C ATOM 1192 O LEU A 86 4.291 -4.920 12.107 1.00 52.23 O ATOM 1193 CB LEU A 86 2.184 -2.936 10.863 1.00 55.04 C ATOM 1194 CG LEU A 86 1.463 -3.203 9.536 1.00 22.42 C ATOM 1195 CD1 LEU A 86 -0.060 -3.207 9.678 1.00 63.42 C ATOM 1196 CD2 LEU A 86 1.839 -2.125 8.518 1.00 34.44 C ATOM 0 H LEU A 86 0.502 -2.946 12.696 1.00 4.22 H new ATOM 0 HA LEU A 86 1.847 -5.006 11.374 1.00 3.32 H new ATOM 0 HB2 LEU A 86 1.780 -2.025 11.304 1.00 55.04 H new ATOM 0 HB3 LEU A 86 3.238 -2.750 10.658 1.00 55.04 H new ATOM 0 HG LEU A 86 1.779 -4.193 9.206 1.00 22.42 H new ATOM 0 HD11 LEU A 86 -0.515 -3.401 8.707 1.00 63.42 H new ATOM 0 HD12 LEU A 86 -0.358 -3.985 10.380 1.00 63.42 H new ATOM 0 HD13 LEU A 86 -0.393 -2.237 10.048 1.00 63.42 H new ATOM 0 HD21 LEU A 86 1.325 -2.318 7.577 1.00 34.44 H new ATOM 0 HD22 LEU A 86 1.544 -1.147 8.898 1.00 34.44 H new ATOM 0 HD23 LEU A 86 2.916 -2.141 8.353 1.00 34.44 H new ATOM 1207 N GLN A 87 3.584 -3.583 13.773 1.00 34.44 N ATOM 1208 CA GLN A 87 4.855 -3.603 14.492 1.00 52.45 C ATOM 1209 C GLN A 87 5.073 -4.964 15.163 1.00 42.31 C ATOM 1210 O GLN A 87 6.209 -5.325 15.454 1.00 61.31 O ATOM 1211 CB GLN A 87 4.917 -2.456 15.514 1.00 1.13 C ATOM 1212 CG GLN A 87 4.558 -1.088 14.897 1.00 35.30 C ATOM 1213 CD GLN A 87 5.631 -0.003 14.886 1.00 0.21 C ATOM 1214 OE1 GLN A 87 6.824 -0.222 15.076 1.00 42.22 O ATOM 1215 NE2 GLN A 87 5.204 1.223 14.623 1.00 51.14 N ATOM 0 H GLN A 87 2.853 -3.039 14.232 1.00 34.44 H new ATOM 0 HA GLN A 87 5.663 -3.453 13.776 1.00 52.45 H new ATOM 0 HB2 GLN A 87 4.234 -2.670 16.336 1.00 1.13 H new ATOM 0 HB3 GLN A 87 5.920 -2.407 15.938 1.00 1.13 H new ATOM 0 HG2 GLN A 87 4.245 -1.258 13.867 1.00 35.30 H new ATOM 0 HG3 GLN A 87 3.693 -0.697 15.433 1.00 35.30 H new ATOM 0 HE21 GLN A 87 4.211 1.395 14.467 1.00 51.14 H new ATOM 0 HE22 GLN A 87 5.868 1.996 14.577 1.00 51.14 H new ATOM 1222 N ALA A 88 4.002 -5.732 15.400 1.00 60.45 N ATOM 1223 CA ALA A 88 4.081 -7.029 16.051 1.00 60.35 C ATOM 1224 C ALA A 88 4.467 -8.146 15.076 1.00 13.00 C ATOM 1225 O ALA A 88 4.792 -9.240 15.538 1.00 61.22 O ATOM 1226 CB ALA A 88 2.733 -7.344 16.709 1.00 12.23 C ATOM 0 H ALA A 88 3.053 -5.461 15.140 1.00 60.45 H new ATOM 0 HA ALA A 88 4.866 -6.980 16.805 1.00 60.35 H new ATOM 0 HB1 ALA A 88 2.786 -8.316 17.199 1.00 12.23 H new ATOM 0 HB2 ALA A 88 2.501 -6.577 17.448 1.00 12.23 H new ATOM 0 HB3 ALA A 88 1.952 -7.363 15.948 1.00 12.23 H new ATOM 1232 N LEU A 89 4.455 -7.917 13.758 1.00 35.40 N ATOM 1233 CA LEU A 89 4.543 -8.967 12.738 1.00 54.02 C ATOM 1234 C LEU A 89 5.596 -8.648 11.677 1.00 64.11 C ATOM 1235 O LEU A 89 6.302 -7.640 11.771 1.00 64.43 O ATOM 1236 CB LEU A 89 3.137 -9.260 12.166 1.00 4.40 C ATOM 1237 CG LEU A 89 2.459 -8.139 11.343 1.00 71.51 C ATOM 1238 CD1 LEU A 89 2.786 -8.188 9.846 1.00 31.33 C ATOM 1239 CD2 LEU A 89 0.936 -8.234 11.502 1.00 21.14 C ATOM 0 H LEU A 89 4.382 -6.979 13.364 1.00 35.40 H new ATOM 0 HA LEU A 89 4.895 -9.889 13.200 1.00 54.02 H new ATOM 0 HB2 LEU A 89 3.207 -10.146 11.535 1.00 4.40 H new ATOM 0 HB3 LEU A 89 2.480 -9.512 12.998 1.00 4.40 H new ATOM 0 HG LEU A 89 2.850 -7.200 11.734 1.00 71.51 H new ATOM 0 HD11 LEU A 89 2.275 -7.372 9.335 1.00 31.33 H new ATOM 0 HD12 LEU A 89 3.862 -8.087 9.705 1.00 31.33 H new ATOM 0 HD13 LEU A 89 2.453 -9.140 9.432 1.00 31.33 H new ATOM 0 HD21 LEU A 89 0.460 -7.444 10.922 1.00 21.14 H new ATOM 0 HD22 LEU A 89 0.593 -9.205 11.144 1.00 21.14 H new ATOM 0 HD23 LEU A 89 0.672 -8.121 12.554 1.00 21.14 H new ATOM 1250 N HIS A 90 5.724 -9.539 10.694 1.00 42.43 N ATOM 1251 CA HIS A 90 6.532 -9.394 9.490 1.00 41.41 C ATOM 1252 C HIS A 90 5.817 -10.109 8.336 1.00 73.33 C ATOM 1253 O HIS A 90 4.985 -10.976 8.599 1.00 74.43 O ATOM 1254 CB HIS A 90 7.941 -9.972 9.712 1.00 1.21 C ATOM 1255 CG HIS A 90 8.039 -11.231 10.551 1.00 1.42 C ATOM 1256 ND1 HIS A 90 9.000 -11.450 11.509 1.00 14.12 N ATOM 1257 CD2 HIS A 90 7.246 -12.351 10.510 1.00 73.42 C ATOM 1258 CE1 HIS A 90 8.805 -12.670 12.031 1.00 2.43 C ATOM 1259 NE2 HIS A 90 7.723 -13.249 11.475 1.00 14.02 N ATOM 0 H HIS A 90 5.236 -10.434 10.722 1.00 42.43 H new ATOM 0 HA HIS A 90 6.650 -8.338 9.245 1.00 41.41 H new ATOM 0 HB2 HIS A 90 8.381 -10.179 8.736 1.00 1.21 H new ATOM 0 HB3 HIS A 90 8.554 -9.202 10.181 1.00 1.21 H new ATOM 0 HD2 HIS A 90 6.405 -12.512 9.852 1.00 73.42 H new ATOM 0 HE1 HIS A 90 9.427 -13.123 12.789 1.00 2.43 H new ATOM 0 HE2 HIS A 90 7.329 -14.160 11.710 1.00 14.02 H new ATOM 1266 N PRO A 91 6.109 -9.771 7.068 1.00 55.33 N ATOM 1267 CA PRO A 91 5.489 -10.429 5.927 1.00 34.54 C ATOM 1268 C PRO A 91 6.147 -11.775 5.577 1.00 63.32 C ATOM 1269 O PRO A 91 7.349 -11.945 5.783 1.00 43.43 O ATOM 1270 CB PRO A 91 5.638 -9.431 4.777 1.00 61.44 C ATOM 1271 CG PRO A 91 6.920 -8.685 5.122 1.00 41.14 C ATOM 1272 CD PRO A 91 6.895 -8.622 6.645 1.00 21.44 C ATOM 0 HA PRO A 91 4.450 -10.680 6.140 1.00 34.54 H new ATOM 0 HB2 PRO A 91 5.714 -9.936 3.814 1.00 61.44 H new ATOM 0 HB3 PRO A 91 4.784 -8.756 4.717 1.00 61.44 H new ATOM 0 HG2 PRO A 91 7.802 -9.211 4.756 1.00 41.14 H new ATOM 0 HG3 PRO A 91 6.937 -7.689 4.679 1.00 41.14 H new ATOM 0 HD2 PRO A 91 7.904 -8.663 7.056 1.00 21.44 H new ATOM 0 HD3 PRO A 91 6.447 -7.691 6.992 1.00 21.44 H new ATOM 1277 N PRO A 92 5.406 -12.688 4.925 1.00 43.15 N ATOM 1278 CA PRO A 92 5.861 -14.021 4.517 1.00 54.22 C ATOM 1279 C PRO A 92 6.777 -14.025 3.275 1.00 12.40 C ATOM 1280 O PRO A 92 7.068 -15.089 2.727 1.00 62.44 O ATOM 1281 CB PRO A 92 4.571 -14.806 4.277 1.00 0.01 C ATOM 1282 CG PRO A 92 3.613 -13.745 3.750 1.00 24.44 C ATOM 1283 CD PRO A 92 3.999 -12.527 4.578 1.00 51.15 C ATOM 0 HA PRO A 92 6.492 -14.464 5.287 1.00 54.22 H new ATOM 0 HB2 PRO A 92 4.717 -15.611 3.556 1.00 0.01 H new ATOM 0 HB3 PRO A 92 4.201 -15.263 5.195 1.00 0.01 H new ATOM 0 HG2 PRO A 92 3.745 -13.571 2.682 1.00 24.44 H new ATOM 0 HG3 PRO A 92 2.571 -14.026 3.900 1.00 24.44 H new ATOM 0 HD2 PRO A 92 3.842 -11.609 4.012 1.00 51.15 H new ATOM 0 HD3 PRO A 92 3.384 -12.458 5.475 1.00 51.15 H new ATOM 1288 N LEU A 93 7.161 -12.851 2.767 1.00 24.31 N ATOM 1289 CA LEU A 93 8.062 -12.662 1.637 1.00 41.15 C ATOM 1290 C LEU A 93 9.275 -11.911 2.146 1.00 61.55 C ATOM 1291 O LEU A 93 9.163 -10.705 2.417 1.00 15.23 O ATOM 1292 CB LEU A 93 7.415 -11.820 0.542 1.00 23.40 C ATOM 1293 CG LEU A 93 6.733 -12.631 -0.566 1.00 14.22 C ATOM 1294 CD1 LEU A 93 5.230 -12.787 -0.342 1.00 0.43 C ATOM 1295 CD2 LEU A 93 7.080 -11.980 -1.895 1.00 31.53 C ATOM 0 H LEU A 93 6.834 -11.966 3.154 1.00 24.31 H new ATOM 0 HA LEU A 93 8.318 -13.636 1.220 1.00 41.15 H new ATOM 0 HB2 LEU A 93 6.677 -11.160 0.998 1.00 23.40 H new ATOM 0 HB3 LEU A 93 8.178 -11.184 0.092 1.00 23.40 H new ATOM 0 HG LEU A 93 7.105 -13.655 -0.560 1.00 14.22 H new ATOM 0 HD11 LEU A 93 4.799 -13.369 -1.156 1.00 0.43 H new ATOM 0 HD12 LEU A 93 5.054 -13.300 0.603 1.00 0.43 H new ATOM 0 HD13 LEU A 93 4.762 -11.803 -0.313 1.00 0.43 H new ATOM 0 HD21 LEU A 93 6.609 -12.535 -2.706 1.00 31.53 H new ATOM 0 HD22 LEU A 93 6.719 -10.951 -1.901 1.00 31.53 H new ATOM 0 HD23 LEU A 93 8.161 -11.986 -2.032 1.00 31.53 H new ATOM 1306 N THR A 94 10.418 -12.578 2.188 1.00 21.31 N ATOM 1307 CA THR A 94 11.722 -11.960 2.327 1.00 0.33 C ATOM 1308 C THR A 94 12.599 -12.367 1.152 1.00 62.45 C ATOM 1309 O THR A 94 12.778 -13.552 0.873 1.00 51.34 O ATOM 1310 CB THR A 94 12.324 -12.329 3.692 1.00 15.40 C ATOM 1311 OG1 THR A 94 11.709 -11.590 4.733 1.00 23.21 O ATOM 1312 CG2 THR A 94 13.829 -12.182 3.798 1.00 21.10 C ATOM 0 H THR A 94 10.462 -13.595 2.124 1.00 21.31 H new ATOM 0 HA THR A 94 11.642 -10.873 2.304 1.00 0.33 H new ATOM 0 HB THR A 94 12.117 -13.394 3.796 1.00 15.40 H new ATOM 0 HG1 THR A 94 12.193 -10.748 4.866 1.00 23.21 H new ATOM 0 HG21 THR A 94 14.153 -12.467 4.799 1.00 21.10 H new ATOM 0 HG22 THR A 94 14.310 -12.828 3.064 1.00 21.10 H new ATOM 0 HG23 THR A 94 14.108 -11.146 3.608 1.00 21.10 H new ATOM 1320 N ILE A 95 13.160 -11.363 0.490 1.00 24.34 N ATOM 1321 CA ILE A 95 14.341 -11.490 -0.347 1.00 1.32 C ATOM 1322 C ILE A 95 15.540 -11.174 0.556 1.00 2.41 C ATOM 1323 O ILE A 95 15.409 -10.345 1.460 1.00 71.23 O ATOM 1324 CB ILE A 95 14.200 -10.522 -1.552 1.00 63.15 C ATOM 1325 CG1 ILE A 95 15.260 -10.766 -2.645 1.00 40.32 C ATOM 1326 CG2 ILE A 95 14.234 -9.035 -1.150 1.00 32.33 C ATOM 1327 CD1 ILE A 95 14.946 -12.013 -3.471 1.00 71.41 C ATOM 0 H ILE A 95 12.794 -10.412 0.523 1.00 24.34 H new ATOM 0 HA ILE A 95 14.473 -12.486 -0.769 1.00 1.32 H new ATOM 0 HB ILE A 95 13.214 -10.748 -1.957 1.00 63.15 H new ATOM 0 HG12 ILE A 95 15.311 -9.898 -3.302 1.00 40.32 H new ATOM 0 HG13 ILE A 95 16.241 -10.874 -2.182 1.00 40.32 H new ATOM 0 HG21 ILE A 95 14.131 -8.415 -2.040 1.00 32.33 H new ATOM 0 HG22 ILE A 95 13.413 -8.825 -0.464 1.00 32.33 H new ATOM 0 HG23 ILE A 95 15.182 -8.812 -0.661 1.00 32.33 H new ATOM 0 HD11 ILE A 95 15.716 -12.150 -4.230 1.00 71.41 H new ATOM 0 HD12 ILE A 95 14.921 -12.885 -2.818 1.00 71.41 H new ATOM 0 HD13 ILE A 95 13.977 -11.894 -3.955 1.00 71.41 H new ATOM 1338 N ASP A 96 16.706 -11.767 0.298 1.00 43.12 N ATOM 1339 CA ASP A 96 18.008 -11.302 0.805 1.00 21.42 C ATOM 1340 C ASP A 96 18.126 -11.368 2.340 1.00 42.22 C ATOM 1341 O ASP A 96 18.984 -10.724 2.934 1.00 2.13 O ATOM 1342 CB ASP A 96 18.273 -9.888 0.250 1.00 34.51 C ATOM 1343 CG ASP A 96 19.742 -9.541 -0.005 1.00 73.21 C ATOM 1344 OD1 ASP A 96 20.530 -9.343 0.934 1.00 41.25 O ATOM 1345 OD2 ASP A 96 20.068 -9.305 -1.197 1.00 21.51 O ATOM 0 H ASP A 96 16.779 -12.603 -0.282 1.00 43.12 H new ATOM 0 HA ASP A 96 18.782 -11.982 0.450 1.00 21.42 H new ATOM 0 HB2 ASP A 96 17.724 -9.776 -0.685 1.00 34.51 H new ATOM 0 HB3 ASP A 96 17.863 -9.160 0.950 1.00 34.51 H new ATOM 1349 N GLY A 97 17.237 -12.095 3.025 1.00 15.13 N ATOM 1350 CA GLY A 97 17.173 -12.097 4.488 1.00 44.33 C ATOM 1351 C GLY A 97 16.671 -10.765 5.067 1.00 24.54 C ATOM 1352 O GLY A 97 16.757 -10.546 6.275 1.00 41.15 O ATOM 0 H GLY A 97 16.544 -12.697 2.581 1.00 15.13 H new ATOM 0 HA2 GLY A 97 16.515 -12.901 4.817 1.00 44.33 H new ATOM 0 HA3 GLY A 97 18.163 -12.312 4.890 1.00 44.33 H new ATOM 1356 N LYS A 98 16.138 -9.866 4.236 1.00 63.55 N ATOM 1357 CA LYS A 98 15.673 -8.542 4.647 1.00 35.43 C ATOM 1358 C LYS A 98 14.300 -8.649 5.267 1.00 73.15 C ATOM 1359 O LYS A 98 13.566 -9.610 5.032 1.00 3.10 O ATOM 1360 CB LYS A 98 15.598 -7.600 3.435 1.00 2.41 C ATOM 1361 CG LYS A 98 16.986 -7.304 2.873 1.00 53.31 C ATOM 1362 CD LYS A 98 17.673 -6.117 3.555 1.00 2.21 C ATOM 1363 CE LYS A 98 17.346 -4.819 2.822 1.00 33.44 C ATOM 1364 NZ LYS A 98 18.555 -4.032 2.507 1.00 4.23 N ATOM 0 H LYS A 98 16.016 -10.043 3.239 1.00 63.55 H new ATOM 0 HA LYS A 98 16.379 -8.141 5.374 1.00 35.43 H new ATOM 0 HB2 LYS A 98 14.978 -8.051 2.660 1.00 2.41 H new ATOM 0 HB3 LYS A 98 15.115 -6.667 3.727 1.00 2.41 H new ATOM 0 HG2 LYS A 98 17.612 -8.190 2.983 1.00 53.31 H new ATOM 0 HG3 LYS A 98 16.903 -7.103 1.805 1.00 53.31 H new ATOM 0 HD2 LYS A 98 17.347 -6.048 4.593 1.00 2.21 H new ATOM 0 HD3 LYS A 98 18.752 -6.272 3.569 1.00 2.21 H new ATOM 0 HE2 LYS A 98 16.815 -5.050 1.899 1.00 33.44 H new ATOM 0 HE3 LYS A 98 16.674 -4.218 3.434 1.00 33.44 H new ATOM 0 HZ1 LYS A 98 18.347 -3.019 2.612 1.00 4.23 H new ATOM 0 HZ2 LYS A 98 19.321 -4.297 3.158 1.00 4.23 H new ATOM 0 HZ3 LYS A 98 18.850 -4.225 1.528 1.00 4.23 H new ATOM 1374 N THR A 99 13.858 -7.582 5.903 1.00 0.22 N ATOM 1375 CA THR A 99 12.495 -7.527 6.401 1.00 15.20 C ATOM 1376 C THR A 99 12.004 -6.093 6.259 1.00 75.35 C ATOM 1377 O THR A 99 12.776 -5.145 6.413 1.00 14.11 O ATOM 1378 CB THR A 99 12.391 -8.114 7.829 1.00 73.24 C ATOM 1379 OG1 THR A 99 13.664 -8.285 8.430 1.00 1.21 O ATOM 1380 CG2 THR A 99 11.703 -9.482 7.816 1.00 20.40 C ATOM 0 H THR A 99 14.416 -6.748 6.087 1.00 0.22 H new ATOM 0 HA THR A 99 11.832 -8.161 5.813 1.00 15.20 H new ATOM 0 HB THR A 99 11.807 -7.395 8.404 1.00 73.24 H new ATOM 0 HG1 THR A 99 13.554 -8.656 9.330 1.00 1.21 H new ATOM 0 HG21 THR A 99 11.644 -9.869 8.833 1.00 20.40 H new ATOM 0 HG22 THR A 99 10.697 -9.380 7.408 1.00 20.40 H new ATOM 0 HG23 THR A 99 12.277 -10.172 7.197 1.00 20.40 H new ATOM 1388 N ILE A 100 10.738 -5.928 5.885 1.00 75.15 N ATOM 1389 CA ILE A 100 10.152 -4.617 5.631 1.00 22.44 C ATOM 1390 C ILE A 100 9.997 -3.893 6.986 1.00 23.50 C ATOM 1391 O ILE A 100 9.930 -4.535 8.040 1.00 33.32 O ATOM 1392 CB ILE A 100 8.828 -4.801 4.837 1.00 22.14 C ATOM 1393 CG1 ILE A 100 8.924 -5.804 3.656 1.00 62.32 C ATOM 1394 CG2 ILE A 100 8.288 -3.469 4.300 1.00 73.42 C ATOM 1395 CD1 ILE A 100 9.947 -5.453 2.569 1.00 15.00 C ATOM 0 H ILE A 100 10.089 -6.703 5.749 1.00 75.15 H new ATOM 0 HA ILE A 100 10.785 -3.985 5.008 1.00 22.44 H new ATOM 0 HB ILE A 100 8.140 -5.218 5.572 1.00 22.14 H new ATOM 0 HG12 ILE A 100 9.170 -6.787 4.057 1.00 62.32 H new ATOM 0 HG13 ILE A 100 7.941 -5.886 3.192 1.00 62.32 H new ATOM 0 HG21 ILE A 100 7.362 -3.646 3.752 1.00 73.42 H new ATOM 0 HG22 ILE A 100 8.093 -2.793 5.133 1.00 73.42 H new ATOM 0 HG23 ILE A 100 9.024 -3.020 3.633 1.00 73.42 H new ATOM 0 HD11 ILE A 100 9.931 -6.219 1.794 1.00 15.00 H new ATOM 0 HD12 ILE A 100 9.695 -4.487 2.130 1.00 15.00 H new ATOM 0 HD13 ILE A 100 10.943 -5.403 3.009 1.00 15.00 H new ATOM 1406 N ASN A 101 9.955 -2.558 6.979 1.00 73.23 N ATOM 1407 CA ASN A 101 9.682 -1.720 8.152 1.00 12.14 C ATOM 1408 C ASN A 101 8.294 -1.095 8.042 1.00 32.42 C ATOM 1409 O ASN A 101 7.641 -1.210 6.991 1.00 4.13 O ATOM 1410 CB ASN A 101 10.779 -0.640 8.348 1.00 11.42 C ATOM 1411 CG ASN A 101 11.596 -0.796 9.631 1.00 51.01 C ATOM 1412 OD1 ASN A 101 11.413 -1.735 10.398 1.00 60.24 O ATOM 1413 ND2 ASN A 101 12.553 0.074 9.875 1.00 42.32 N ATOM 0 H ASN A 101 10.115 -2.013 6.132 1.00 73.23 H new ATOM 0 HA ASN A 101 9.702 -2.355 9.038 1.00 12.14 H new ATOM 0 HB2 ASN A 101 11.456 -0.668 7.495 1.00 11.42 H new ATOM 0 HB3 ASN A 101 10.308 0.343 8.349 1.00 11.42 H new ATOM 0 HD21 ASN A 101 13.141 -0.033 10.701 1.00 42.32 H new ATOM 0 HD22 ASN A 101 12.706 0.856 9.238 1.00 42.32 H new ATOM 1419 N VAL A 102 7.832 -0.438 9.090 1.00 21.11 N ATOM 1420 CA VAL A 102 6.476 0.066 9.264 1.00 73.32 C ATOM 1421 C VAL A 102 6.559 1.523 9.694 1.00 12.40 C ATOM 1422 O VAL A 102 7.114 1.819 10.759 1.00 40.15 O ATOM 1423 CB VAL A 102 5.692 -0.862 10.229 1.00 15.43 C ATOM 1424 CG1 VAL A 102 6.447 -1.279 11.500 1.00 24.20 C ATOM 1425 CG2 VAL A 102 4.382 -0.202 10.685 1.00 75.44 C ATOM 0 H VAL A 102 8.426 -0.228 9.892 1.00 21.11 H new ATOM 0 HA VAL A 102 5.908 0.050 8.334 1.00 73.32 H new ATOM 0 HB VAL A 102 5.521 -1.759 9.633 1.00 15.43 H new ATOM 0 HG11 VAL A 102 5.812 -1.926 12.105 1.00 24.20 H new ATOM 0 HG12 VAL A 102 7.354 -1.817 11.224 1.00 24.20 H new ATOM 0 HG13 VAL A 102 6.712 -0.391 12.074 1.00 24.20 H new ATOM 0 HG21 VAL A 102 3.852 -0.874 11.360 1.00 75.44 H new ATOM 0 HG22 VAL A 102 4.606 0.731 11.202 1.00 75.44 H new ATOM 0 HG23 VAL A 102 3.758 0.006 9.816 1.00 75.44 H new ATOM 1435 N GLU A 103 6.028 2.452 8.900 1.00 44.43 N ATOM 1436 CA GLU A 103 5.928 3.846 9.302 1.00 3.43 C ATOM 1437 C GLU A 103 4.667 4.479 8.703 1.00 75.14 C ATOM 1438 O GLU A 103 4.028 3.903 7.820 1.00 53.11 O ATOM 1439 CB GLU A 103 7.199 4.595 8.869 1.00 75.43 C ATOM 1440 CG GLU A 103 7.580 5.644 9.914 1.00 72.33 C ATOM 1441 CD GLU A 103 8.446 5.039 11.023 1.00 22.52 C ATOM 1442 OE1 GLU A 103 9.649 4.818 10.762 1.00 52.32 O ATOM 1443 OE2 GLU A 103 7.956 4.859 12.162 1.00 72.53 O ATOM 0 H GLU A 103 5.659 2.258 7.969 1.00 44.43 H new ATOM 0 HA GLU A 103 5.845 3.913 10.387 1.00 3.43 H new ATOM 0 HB2 GLU A 103 8.019 3.888 8.738 1.00 75.43 H new ATOM 0 HB3 GLU A 103 7.035 5.076 7.905 1.00 75.43 H new ATOM 0 HG2 GLU A 103 8.120 6.460 9.433 1.00 72.33 H new ATOM 0 HG3 GLU A 103 6.677 6.072 10.348 1.00 72.33 H new ATOM 1448 N PHE A 104 4.298 5.677 9.158 1.00 14.31 N ATOM 1449 CA PHE A 104 3.026 6.312 8.843 1.00 24.31 C ATOM 1450 C PHE A 104 3.292 7.730 8.372 1.00 60.44 C ATOM 1451 O PHE A 104 3.474 8.632 9.190 1.00 22.10 O ATOM 1452 CB PHE A 104 2.128 6.245 10.081 1.00 4.40 C ATOM 1453 CG PHE A 104 0.707 6.771 9.984 1.00 11.34 C ATOM 1454 CD1 PHE A 104 0.006 6.790 8.765 1.00 40.33 C ATOM 1455 CD2 PHE A 104 0.035 7.144 11.165 1.00 60.23 C ATOM 1456 CE1 PHE A 104 -1.343 7.170 8.734 1.00 54.43 C ATOM 1457 CE2 PHE A 104 -1.338 7.439 11.148 1.00 64.51 C ATOM 1458 CZ PHE A 104 -2.029 7.454 9.927 1.00 32.30 C ATOM 0 H PHE A 104 4.890 6.241 9.768 1.00 14.31 H new ATOM 0 HA PHE A 104 2.504 5.799 8.036 1.00 24.31 H new ATOM 0 HB2 PHE A 104 2.073 5.202 10.393 1.00 4.40 H new ATOM 0 HB3 PHE A 104 2.628 6.791 10.881 1.00 4.40 H new ATOM 0 HD1 PHE A 104 0.508 6.511 7.850 1.00 40.33 H new ATOM 0 HD2 PHE A 104 0.582 7.204 12.094 1.00 60.23 H new ATOM 0 HE1 PHE A 104 -1.858 7.245 7.788 1.00 54.43 H new ATOM 0 HE2 PHE A 104 -1.859 7.653 12.070 1.00 64.51 H new ATOM 0 HZ PHE A 104 -3.084 7.683 9.904 1.00 32.30 H new ATOM 1467 N ALA A 105 3.335 7.913 7.051 1.00 15.02 N ATOM 1468 CA ALA A 105 3.406 9.212 6.407 1.00 14.02 C ATOM 1469 C ALA A 105 2.082 9.951 6.641 1.00 60.43 C ATOM 1470 O ALA A 105 1.199 9.987 5.779 1.00 23.14 O ATOM 1471 CB ALA A 105 3.751 9.050 4.919 1.00 21.44 C ATOM 0 H ALA A 105 3.321 7.138 6.389 1.00 15.02 H new ATOM 0 HA ALA A 105 4.205 9.815 6.840 1.00 14.02 H new ATOM 0 HB1 ALA A 105 3.801 10.032 4.448 1.00 21.44 H new ATOM 0 HB2 ALA A 105 4.715 8.551 4.821 1.00 21.44 H new ATOM 0 HB3 ALA A 105 2.982 8.452 4.430 1.00 21.44 H new ATOM 1477 N LYS A 106 1.930 10.536 7.826 1.00 52.12 N ATOM 1478 CA LYS A 106 0.797 11.337 8.238 1.00 61.44 C ATOM 1479 C LYS A 106 1.298 12.730 8.601 1.00 52.52 C ATOM 1480 O LYS A 106 2.299 12.853 9.313 1.00 43.12 O ATOM 1481 CB LYS A 106 0.080 10.604 9.372 1.00 34.32 C ATOM 1482 CG LYS A 106 -0.715 11.568 10.259 1.00 22.14 C ATOM 1483 CD LYS A 106 -1.737 10.851 11.123 1.00 54.04 C ATOM 1484 CE LYS A 106 -1.258 10.602 12.561 1.00 12.41 C ATOM 1485 NZ LYS A 106 0.094 10.008 12.643 1.00 61.44 N ATOM 0 H LYS A 106 2.635 10.455 8.558 1.00 52.12 H new ATOM 0 HA LYS A 106 0.063 11.473 7.444 1.00 61.44 H new ATOM 0 HB2 LYS A 106 -0.593 9.856 8.953 1.00 34.32 H new ATOM 0 HB3 LYS A 106 0.811 10.070 9.979 1.00 34.32 H new ATOM 0 HG2 LYS A 106 -0.027 12.121 10.898 1.00 22.14 H new ATOM 0 HG3 LYS A 106 -1.224 12.300 9.631 1.00 22.14 H new ATOM 0 HD2 LYS A 106 -2.654 11.440 11.151 1.00 54.04 H new ATOM 0 HD3 LYS A 106 -1.985 9.896 10.661 1.00 54.04 H new ATOM 0 HE2 LYS A 106 -1.264 11.546 13.105 1.00 12.41 H new ATOM 0 HE3 LYS A 106 -1.966 9.942 13.061 1.00 12.41 H new ATOM 0 HZ1 LYS A 106 0.338 9.836 13.639 1.00 61.44 H new ATOM 0 HZ2 LYS A 106 0.110 9.108 12.123 1.00 61.44 H new ATOM 0 HZ3 LYS A 106 0.786 10.662 12.225 1.00 61.44 H new ATOM 1495 N GLY A 107 0.580 13.756 8.146 1.00 42.31 N ATOM 1496 CA GLY A 107 0.830 15.151 8.466 1.00 51.21 C ATOM 1497 C GLY A 107 0.068 15.572 9.720 1.00 55.54 C ATOM 1498 O GLY A 107 -0.693 14.794 10.304 1.00 73.23 O ATOM 0 H GLY A 107 -0.218 13.629 7.523 1.00 42.31 H new ATOM 0 HA2 GLY A 107 1.898 15.307 8.616 1.00 51.21 H new ATOM 0 HA3 GLY A 107 0.531 15.779 7.627 1.00 51.21 H new ATOM 1502 N SER A 108 0.250 16.832 10.102 1.00 33.12 N ATOM 1503 CA SER A 108 -0.208 17.441 11.344 1.00 1.40 C ATOM 1504 C SER A 108 -1.036 18.701 11.057 1.00 1.54 C ATOM 1505 O SER A 108 -0.486 19.697 10.588 1.00 75.03 O ATOM 1506 CB SER A 108 1.015 17.815 12.195 1.00 14.41 C ATOM 1507 OG SER A 108 1.645 16.702 12.808 1.00 14.40 O ATOM 0 H SER A 108 0.753 17.496 9.514 1.00 33.12 H new ATOM 0 HA SER A 108 -0.837 16.729 11.879 1.00 1.40 H new ATOM 0 HB2 SER A 108 1.740 18.331 11.566 1.00 14.41 H new ATOM 0 HB3 SER A 108 0.707 18.518 12.969 1.00 14.41 H new ATOM 0 HG SER A 108 2.414 17.009 13.332 1.00 14.40 H new ATOM 1512 N LYS A 109 -2.324 18.699 11.415 1.00 21.44 N ATOM 1513 CA LYS A 109 -3.192 19.888 11.438 1.00 21.32 C ATOM 1514 C LYS A 109 -3.600 20.214 12.870 1.00 24.12 C ATOM 1515 O LYS A 109 -3.527 19.331 13.731 1.00 13.24 O ATOM 1516 CB LYS A 109 -4.427 19.678 10.548 1.00 54.23 C ATOM 1517 CG LYS A 109 -5.198 18.376 10.840 1.00 35.43 C ATOM 1518 CD LYS A 109 -6.361 18.205 9.861 1.00 40.42 C ATOM 1519 CE LYS A 109 -6.980 16.796 9.893 1.00 55.11 C ATOM 1520 NZ LYS A 109 -7.642 16.466 11.174 1.00 74.45 N ATOM 0 H LYS A 109 -2.808 17.849 11.705 1.00 21.44 H new ATOM 0 HA LYS A 109 -2.634 20.735 11.038 1.00 21.32 H new ATOM 0 HB2 LYS A 109 -5.102 20.524 10.676 1.00 54.23 H new ATOM 0 HB3 LYS A 109 -4.113 19.676 9.504 1.00 54.23 H new ATOM 0 HG2 LYS A 109 -4.523 17.523 10.764 1.00 35.43 H new ATOM 0 HG3 LYS A 109 -5.576 18.393 11.862 1.00 35.43 H new ATOM 0 HD2 LYS A 109 -7.133 18.939 10.092 1.00 40.42 H new ATOM 0 HD3 LYS A 109 -6.011 18.418 8.851 1.00 40.42 H new ATOM 0 HE2 LYS A 109 -7.707 16.710 9.086 1.00 55.11 H new ATOM 0 HE3 LYS A 109 -6.199 16.061 9.698 1.00 55.11 H new ATOM 0 HZ1 LYS A 109 -8.035 15.505 11.124 1.00 74.45 H new ATOM 0 HZ2 LYS A 109 -6.948 16.516 11.947 1.00 74.45 H new ATOM 0 HZ3 LYS A 109 -8.409 17.145 11.353 1.00 74.45 H new ATOM 1530 N ARG A 110 -4.060 21.435 13.157 1.00 62.11 N ATOM 1531 CA ARG A 110 -4.473 21.828 14.518 1.00 4.33 C ATOM 1532 C ARG A 110 -5.532 22.931 14.571 1.00 62.02 C ATOM 1533 O ARG A 110 -5.975 23.303 15.658 1.00 64.21 O ATOM 1534 CB ARG A 110 -3.225 22.237 15.321 1.00 63.24 C ATOM 1535 CG ARG A 110 -2.488 23.458 14.738 1.00 55.32 C ATOM 1536 CD ARG A 110 -2.375 24.594 15.753 1.00 40.11 C ATOM 1537 NE ARG A 110 -1.724 25.766 15.153 1.00 14.10 N ATOM 1538 CZ ARG A 110 -0.421 26.068 15.195 1.00 15.53 C ATOM 1539 NH1 ARG A 110 0.464 25.231 15.736 1.00 75.31 N ATOM 1540 NH2 ARG A 110 -0.027 27.234 14.696 1.00 75.35 N ATOM 0 H ARG A 110 -4.158 22.177 12.464 1.00 62.11 H new ATOM 0 HA ARG A 110 -4.955 20.957 14.961 1.00 4.33 H new ATOM 0 HB2 ARG A 110 -3.520 22.457 16.347 1.00 63.24 H new ATOM 0 HB3 ARG A 110 -2.537 21.393 15.361 1.00 63.24 H new ATOM 0 HG2 ARG A 110 -1.491 23.160 14.415 1.00 55.32 H new ATOM 0 HG3 ARG A 110 -3.017 23.813 13.853 1.00 55.32 H new ATOM 0 HD2 ARG A 110 -3.367 24.867 16.112 1.00 40.11 H new ATOM 0 HD3 ARG A 110 -1.804 24.259 16.619 1.00 40.11 H new ATOM 0 HE ARG A 110 -2.328 26.418 14.652 1.00 14.10 H new ATOM 0 HH11 ARG A 110 0.152 24.342 16.127 1.00 75.31 H new ATOM 0 HH12 ARG A 110 1.453 25.479 15.759 1.00 75.31 H new ATOM 0 HH21 ARG A 110 -0.712 27.874 14.294 1.00 75.35 H new ATOM 0 HH22 ARG A 110 0.960 27.489 14.715 1.00 75.35 H new ATOM 1551 N ASP A 111 -5.913 23.489 13.430 1.00 0.10 N ATOM 1552 CA ASP A 111 -6.881 24.569 13.269 1.00 74.25 C ATOM 1553 C ASP A 111 -8.311 24.112 13.605 1.00 20.20 C ATOM 1554 O ASP A 111 -9.064 23.692 12.726 1.00 21.32 O ATOM 1555 CB ASP A 111 -6.752 25.167 11.850 1.00 2.54 C ATOM 1556 CG ASP A 111 -6.476 24.118 10.768 1.00 15.12 C ATOM 1557 OD1 ASP A 111 -7.418 23.537 10.184 1.00 11.44 O ATOM 1558 OD2 ASP A 111 -5.276 23.816 10.578 1.00 73.32 O ATOM 0 H ASP A 111 -5.531 23.181 12.536 1.00 0.10 H new ATOM 0 HA ASP A 111 -6.659 25.360 13.986 1.00 74.25 H new ATOM 0 HB2 ASP A 111 -7.671 25.699 11.603 1.00 2.54 H new ATOM 0 HB3 ASP A 111 -5.947 25.902 11.846 1.00 2.54 H new ATOM 1562 N MET A 112 -8.702 24.243 14.876 1.00 52.32 N ATOM 1563 CA MET A 112 -10.053 24.045 15.421 1.00 61.13 C ATOM 1564 C MET A 112 -10.429 25.273 16.269 1.00 2.34 C ATOM 1565 O MET A 112 -9.527 26.026 16.647 1.00 14.20 O ATOM 1566 CB MET A 112 -10.079 22.763 16.278 1.00 23.00 C ATOM 1567 CG MET A 112 -10.883 21.636 15.628 1.00 34.30 C ATOM 1568 SD MET A 112 -10.206 20.916 14.107 1.00 35.03 S ATOM 1569 CE MET A 112 -11.555 21.298 12.951 1.00 21.14 C ATOM 0 H MET A 112 -8.038 24.509 15.604 1.00 52.32 H new ATOM 0 HA MET A 112 -10.776 23.934 14.613 1.00 61.13 H new ATOM 0 HB2 MET A 112 -9.057 22.424 16.448 1.00 23.00 H new ATOM 0 HB3 MET A 112 -10.506 22.992 17.255 1.00 23.00 H new ATOM 0 HG2 MET A 112 -10.999 20.836 16.360 1.00 34.30 H new ATOM 0 HG3 MET A 112 -11.881 22.014 15.409 1.00 34.30 H new ATOM 0 HE1 MET A 112 -11.302 20.922 11.960 1.00 21.14 H new ATOM 0 HE2 MET A 112 -12.474 20.824 13.295 1.00 21.14 H new ATOM 0 HE3 MET A 112 -11.699 22.377 12.904 1.00 21.14 H new ATOM 1577 N ALA A 113 -11.724 25.508 16.529 1.00 32.02 N ATOM 1578 CA ALA A 113 -12.301 26.522 17.419 1.00 14.44 C ATOM 1579 C ALA A 113 -13.831 26.502 17.308 1.00 43.44 C ATOM 1580 O ALA A 113 -14.358 26.167 16.246 1.00 61.32 O ATOM 1581 CB ALA A 113 -11.882 27.938 17.011 1.00 0.21 C ATOM 0 H ALA A 113 -12.452 24.948 16.086 1.00 32.02 H new ATOM 0 HA ALA A 113 -11.950 26.288 18.424 1.00 14.44 H new ATOM 0 HB1 ALA A 113 -12.329 28.661 17.694 1.00 0.21 H new ATOM 0 HB2 ALA A 113 -10.796 28.023 17.053 1.00 0.21 H new ATOM 0 HB3 ALA A 113 -12.222 28.140 15.995 1.00 0.21 H new ATOM 1587 N SER A 114 -14.526 27.026 18.320 1.00 54.43 N ATOM 1588 CA SER A 114 -15.904 27.511 18.259 1.00 74.03 C ATOM 1589 C SER A 114 -16.179 28.349 19.514 1.00 42.12 C ATOM 1590 O SER A 114 -15.412 28.268 20.480 1.00 75.43 O ATOM 1591 CB SER A 114 -16.875 26.334 18.154 1.00 4.44 C ATOM 1592 OG SER A 114 -18.186 26.810 17.930 1.00 75.14 O ATOM 0 H SER A 114 -14.121 27.128 19.251 1.00 54.43 H new ATOM 0 HA SER A 114 -16.047 28.131 17.374 1.00 74.03 H new ATOM 0 HB2 SER A 114 -16.574 25.675 17.340 1.00 4.44 H new ATOM 0 HB3 SER A 114 -16.845 25.744 19.070 1.00 4.44 H new ATOM 0 HG SER A 114 -18.802 26.051 17.862 1.00 75.14 H new ATOM 1597 N ASN A 115 -17.246 29.155 19.493 1.00 21.14 N ATOM 1598 CA ASN A 115 -17.750 29.956 20.605 1.00 12.44 C ATOM 1599 C ASN A 115 -19.169 30.450 20.301 1.00 33.43 C ATOM 1600 O ASN A 115 -19.542 30.572 19.133 1.00 15.20 O ATOM 1601 CB ASN A 115 -16.839 31.158 20.889 1.00 45.32 C ATOM 1602 CG ASN A 115 -16.864 32.265 19.836 1.00 65.24 C ATOM 1603 OD1 ASN A 115 -16.949 32.030 18.628 1.00 15.52 O ATOM 1604 ND2 ASN A 115 -16.746 33.506 20.273 1.00 43.44 N ATOM 0 H ASN A 115 -17.810 29.270 18.651 1.00 21.14 H new ATOM 0 HA ASN A 115 -17.765 29.320 21.490 1.00 12.44 H new ATOM 0 HB2 ASN A 115 -17.123 31.588 21.850 1.00 45.32 H new ATOM 0 HB3 ASN A 115 -15.815 30.800 20.990 1.00 45.32 H new ATOM 0 HD21 ASN A 115 -16.725 34.280 19.610 1.00 43.44 H new ATOM 0 HD22 ASN A 115 -16.676 33.690 21.274 1.00 43.44 H new ATOM 1610 N GLU A 116 -19.957 30.733 21.346 1.00 31.43 N ATOM 1611 CA GLU A 116 -21.350 31.200 21.324 1.00 24.22 C ATOM 1612 C GLU A 116 -21.823 31.347 22.785 1.00 65.24 C ATOM 1613 O GLU A 116 -21.019 31.150 23.705 1.00 23.04 O ATOM 1614 CB GLU A 116 -22.245 30.213 20.534 1.00 35.40 C ATOM 1615 CG GLU A 116 -23.054 30.910 19.430 1.00 35.04 C ATOM 1616 CD GLU A 116 -24.432 31.379 19.910 1.00 44.55 C ATOM 1617 OE1 GLU A 116 -24.500 32.298 20.759 1.00 25.12 O ATOM 1618 OE2 GLU A 116 -25.426 30.791 19.418 1.00 42.55 O ATOM 0 H GLU A 116 -19.612 30.634 22.301 1.00 31.43 H new ATOM 0 HA GLU A 116 -21.421 32.163 20.818 1.00 24.22 H new ATOM 0 HB2 GLU A 116 -21.621 29.438 20.089 1.00 35.40 H new ATOM 0 HB3 GLU A 116 -22.928 29.716 21.222 1.00 35.40 H new ATOM 0 HG2 GLU A 116 -22.492 31.768 19.060 1.00 35.04 H new ATOM 0 HG3 GLU A 116 -23.180 30.226 18.591 1.00 35.04 H new ATOM 1623 N GLY A 117 -23.094 31.683 23.021 1.00 74.13 N ATOM 1624 CA GLY A 117 -23.769 31.519 24.304 1.00 14.35 C ATOM 1625 C GLY A 117 -24.653 32.700 24.718 1.00 1.34 C ATOM 1626 O GLY A 117 -24.783 32.938 25.920 1.00 70.34 O ATOM 0 H GLY A 117 -23.695 32.087 22.303 1.00 74.13 H new ATOM 0 HA2 GLY A 117 -24.383 30.620 24.264 1.00 14.35 H new ATOM 0 HA3 GLY A 117 -23.017 31.357 25.077 1.00 14.35 H new ATOM 1630 N SER A 118 -25.225 33.475 23.790 1.00 33.14 N ATOM 1631 CA SER A 118 -26.082 34.606 24.157 1.00 1.45 C ATOM 1632 C SER A 118 -27.372 34.115 24.838 1.00 34.33 C ATOM 1633 O SER A 118 -28.095 33.299 24.271 1.00 45.31 O ATOM 1634 CB SER A 118 -26.391 35.450 22.918 1.00 34.32 C ATOM 1635 OG SER A 118 -26.829 36.737 23.312 1.00 44.41 O ATOM 0 H SER A 118 -25.111 33.341 22.785 1.00 33.14 H new ATOM 0 HA SER A 118 -25.553 35.233 24.875 1.00 1.45 H new ATOM 0 HB2 SER A 118 -25.502 35.534 22.293 1.00 34.32 H new ATOM 0 HB3 SER A 118 -27.159 34.963 22.317 1.00 34.32 H new ATOM 0 HG SER A 118 -27.024 37.274 22.516 1.00 44.41 H new ATOM 1640 N ARG A 119 -27.674 34.597 26.054 1.00 53.41 N ATOM 1641 CA ARG A 119 -28.858 34.344 26.862 1.00 24.01 C ATOM 1642 C ARG A 119 -28.777 35.288 28.059 1.00 34.11 C ATOM 1643 O ARG A 119 -27.824 35.231 28.846 1.00 62.24 O ATOM 1644 CB ARG A 119 -29.010 32.860 27.257 1.00 25.33 C ATOM 1645 CG ARG A 119 -28.210 32.338 28.459 1.00 25.43 C ATOM 1646 CD ARG A 119 -26.698 32.422 28.215 1.00 44.22 C ATOM 1647 NE ARG A 119 -25.902 31.955 29.360 1.00 13.45 N ATOM 1648 CZ ARG A 119 -25.517 32.705 30.400 1.00 64.21 C ATOM 1649 NH1 ARG A 119 -25.945 33.960 30.538 1.00 63.23 N ATOM 1650 NH2 ARG A 119 -24.697 32.183 31.311 1.00 73.10 N ATOM 0 H ARG A 119 -27.032 35.230 26.532 1.00 53.41 H new ATOM 0 HA ARG A 119 -29.764 34.544 26.290 1.00 24.01 H new ATOM 0 HB2 ARG A 119 -30.066 32.676 27.456 1.00 25.33 H new ATOM 0 HB3 ARG A 119 -28.739 32.257 26.391 1.00 25.33 H new ATOM 0 HG2 ARG A 119 -28.468 32.916 29.346 1.00 25.43 H new ATOM 0 HG3 ARG A 119 -28.489 31.304 28.660 1.00 25.43 H new ATOM 0 HD2 ARG A 119 -26.444 31.828 27.337 1.00 44.22 H new ATOM 0 HD3 ARG A 119 -26.429 33.454 27.990 1.00 44.22 H new ATOM 0 HE ARG A 119 -25.619 30.975 29.362 1.00 13.45 H new ATOM 0 HH11 ARG A 119 -26.576 34.363 29.845 1.00 63.23 H new ATOM 0 HH12 ARG A 119 -25.642 34.517 31.337 1.00 63.23 H new ATOM 0 HH21 ARG A 119 -24.370 31.222 31.212 1.00 73.10 H new ATOM 0 HH22 ARG A 119 -24.396 32.744 32.108 1.00 73.10 H new ATOM 1661 N ILE A 120 -29.706 36.211 28.167 1.00 52.31 N ATOM 1662 CA ILE A 120 -29.868 37.099 29.318 1.00 24.11 C ATOM 1663 C ILE A 120 -31.367 37.279 29.565 1.00 21.12 C ATOM 1664 O ILE A 120 -32.123 37.398 28.600 1.00 43.51 O ATOM 1665 CB ILE A 120 -29.177 38.479 29.114 1.00 54.14 C ATOM 1666 CG1 ILE A 120 -28.006 38.502 28.098 1.00 3.32 C ATOM 1667 CG2 ILE A 120 -28.677 38.947 30.492 1.00 31.15 C ATOM 1668 CD1 ILE A 120 -27.454 39.906 27.819 1.00 61.30 C ATOM 0 H ILE A 120 -30.398 36.377 27.436 1.00 52.31 H new ATOM 0 HA ILE A 120 -29.382 36.646 30.182 1.00 24.11 H new ATOM 0 HB ILE A 120 -29.923 39.144 28.679 1.00 54.14 H new ATOM 0 HG12 ILE A 120 -27.199 37.873 28.474 1.00 3.32 H new ATOM 0 HG13 ILE A 120 -28.343 38.061 27.160 1.00 3.32 H new ATOM 0 HG21 ILE A 120 -28.185 39.914 30.391 1.00 31.15 H new ATOM 0 HG22 ILE A 120 -29.522 39.039 31.174 1.00 31.15 H new ATOM 0 HG23 ILE A 120 -27.969 38.219 30.889 1.00 31.15 H new ATOM 0 HD11 ILE A 120 -26.638 39.840 27.099 1.00 61.30 H new ATOM 0 HD12 ILE A 120 -28.246 40.534 27.412 1.00 61.30 H new ATOM 0 HD13 ILE A 120 -27.085 40.343 28.747 1.00 61.30 H new ATOM 1679 N SER A 121 -31.784 37.350 30.832 1.00 3.54 N ATOM 1680 CA SER A 121 -33.164 37.569 31.247 1.00 70.22 C ATOM 1681 C SER A 121 -33.141 38.406 32.530 1.00 24.32 C ATOM 1682 O SER A 121 -32.600 37.944 33.534 1.00 24.15 O ATOM 1683 CB SER A 121 -33.865 36.223 31.507 1.00 1.33 C ATOM 1684 OG SER A 121 -33.698 35.315 30.432 1.00 43.31 O ATOM 0 H SER A 121 -31.145 37.253 31.621 1.00 3.54 H new ATOM 0 HA SER A 121 -33.714 38.089 30.463 1.00 70.22 H new ATOM 0 HB2 SER A 121 -33.468 35.779 32.420 1.00 1.33 H new ATOM 0 HB3 SER A 121 -34.928 36.395 31.673 1.00 1.33 H new ATOM 0 HG SER A 121 -34.157 34.474 30.640 1.00 43.31 H new ATOM 1689 N ALA A 122 -33.680 39.626 32.510 1.00 25.44 N ATOM 1690 CA ALA A 122 -33.924 40.461 33.683 1.00 21.05 C ATOM 1691 C ALA A 122 -35.013 41.480 33.326 1.00 44.10 C ATOM 1692 O ALA A 122 -35.344 41.625 32.150 1.00 42.10 O ATOM 1693 CB ALA A 122 -32.634 41.181 34.105 1.00 34.05 C ATOM 0 H ALA A 122 -33.969 40.075 31.641 1.00 25.44 H new ATOM 0 HA ALA A 122 -34.250 39.844 34.520 1.00 21.05 H new ATOM 0 HB1 ALA A 122 -32.832 41.799 34.980 1.00 34.05 H new ATOM 0 HB2 ALA A 122 -31.868 40.444 34.347 1.00 34.05 H new ATOM 0 HB3 ALA A 122 -32.285 41.811 33.287 1.00 34.05 H new ATOM 1699 N ALA A 123 -35.535 42.202 34.322 1.00 51.52 N ATOM 1700 CA ALA A 123 -36.332 43.408 34.122 1.00 23.41 C ATOM 1701 C ALA A 123 -36.163 44.301 35.354 1.00 33.31 C ATOM 1702 O ALA A 123 -35.280 45.152 35.380 1.00 10.33 O ATOM 1703 CB ALA A 123 -37.802 43.050 33.843 1.00 14.45 C ATOM 0 H ALA A 123 -35.411 41.958 35.305 1.00 51.52 H new ATOM 0 HA ALA A 123 -35.987 43.957 33.245 1.00 23.41 H new ATOM 0 HB1 ALA A 123 -38.378 43.964 33.697 1.00 14.45 H new ATOM 0 HB2 ALA A 123 -37.863 42.436 32.945 1.00 14.45 H new ATOM 0 HB3 ALA A 123 -38.209 42.496 34.689 1.00 14.45 H new ATOM 1709 N SER A 124 -36.957 44.083 36.402 1.00 70.11 N ATOM 1710 CA SER A 124 -36.873 44.711 37.717 1.00 10.23 C ATOM 1711 C SER A 124 -37.745 43.889 38.669 1.00 33.13 C ATOM 1712 O SER A 124 -38.538 43.062 38.215 1.00 50.31 O ATOM 1713 CB SER A 124 -37.382 46.159 37.644 1.00 61.03 C ATOM 1714 OG SER A 124 -36.451 46.987 36.980 1.00 62.02 O ATOM 0 H SER A 124 -37.728 43.417 36.349 1.00 70.11 H new ATOM 0 HA SER A 124 -35.841 44.738 38.068 1.00 10.23 H new ATOM 0 HB2 SER A 124 -38.338 46.187 37.121 1.00 61.03 H new ATOM 0 HB3 SER A 124 -37.559 46.538 38.651 1.00 61.03 H new ATOM 0 HG SER A 124 -35.888 46.441 36.393 1.00 62.02 H new ATOM 1719 N VAL A 125 -37.612 44.115 39.976 1.00 62.02 N ATOM 1720 CA VAL A 125 -38.378 43.447 41.016 1.00 10.53 C ATOM 1721 C VAL A 125 -38.717 44.540 42.025 1.00 14.32 C ATOM 1722 O VAL A 125 -37.818 45.063 42.679 1.00 42.34 O ATOM 1723 CB VAL A 125 -37.558 42.284 41.624 1.00 5.24 C ATOM 1724 CG1 VAL A 125 -38.341 41.578 42.743 1.00 62.10 C ATOM 1725 CG2 VAL A 125 -37.174 41.228 40.573 1.00 23.14 C ATOM 0 H VAL A 125 -36.945 44.791 40.347 1.00 62.02 H new ATOM 0 HA VAL A 125 -39.292 42.983 40.645 1.00 10.53 H new ATOM 0 HB VAL A 125 -36.651 42.737 42.024 1.00 5.24 H new ATOM 0 HG11 VAL A 125 -37.740 40.766 43.151 1.00 62.10 H new ATOM 0 HG12 VAL A 125 -38.570 42.293 43.534 1.00 62.10 H new ATOM 0 HG13 VAL A 125 -39.269 41.175 42.339 1.00 62.10 H new ATOM 0 HG21 VAL A 125 -36.600 40.433 41.049 1.00 23.14 H new ATOM 0 HG22 VAL A 125 -38.078 40.808 40.132 1.00 23.14 H new ATOM 0 HG23 VAL A 125 -36.572 41.693 39.793 1.00 23.14 H new ATOM 1735 N ALA A 126 -39.987 44.948 42.099 1.00 2.41 N ATOM 1736 CA ALA A 126 -40.457 45.990 42.998 1.00 21.44 C ATOM 1737 C ALA A 126 -41.875 45.632 43.426 1.00 11.15 C ATOM 1738 O ALA A 126 -42.759 45.477 42.584 1.00 25.12 O ATOM 1739 CB ALA A 126 -40.411 47.349 42.286 1.00 33.43 C ATOM 0 H ALA A 126 -40.728 44.551 41.521 1.00 2.41 H new ATOM 0 HA ALA A 126 -39.821 46.063 43.880 1.00 21.44 H new ATOM 0 HB1 ALA A 126 -40.764 48.127 42.963 1.00 33.43 H new ATOM 0 HB2 ALA A 126 -39.386 47.568 41.985 1.00 33.43 H new ATOM 0 HB3 ALA A 126 -41.050 47.319 41.403 1.00 33.43 H new ATOM 1745 N SER A 127 -42.099 45.469 44.728 1.00 74.03 N ATOM 1746 CA SER A 127 -43.425 45.267 45.301 1.00 52.11 C ATOM 1747 C SER A 127 -43.496 45.970 46.660 1.00 73.33 C ATOM 1748 O SER A 127 -43.809 45.357 47.676 1.00 2.24 O ATOM 1749 CB SER A 127 -43.737 43.767 45.368 1.00 32.24 C ATOM 1750 OG SER A 127 -43.660 43.189 44.076 1.00 74.23 O ATOM 0 H SER A 127 -41.353 45.474 45.423 1.00 74.03 H new ATOM 0 HA SER A 127 -44.196 45.712 44.672 1.00 52.11 H new ATOM 0 HB2 SER A 127 -43.033 43.272 46.037 1.00 32.24 H new ATOM 0 HB3 SER A 127 -44.733 43.614 45.783 1.00 32.24 H new ATOM 0 HG SER A 127 -43.860 42.231 44.134 1.00 74.23 H new ATOM 1755 N THR A 128 -43.173 47.264 46.676 1.00 71.31 N ATOM 1756 CA THR A 128 -43.378 48.132 47.831 1.00 62.32 C ATOM 1757 C THR A 128 -44.144 49.373 47.366 1.00 30.13 C ATOM 1758 O THR A 128 -44.161 49.682 46.172 1.00 23.45 O ATOM 1759 CB THR A 128 -42.033 48.467 48.505 1.00 51.13 C ATOM 1760 OG1 THR A 128 -41.026 48.766 47.557 1.00 22.22 O ATOM 1761 CG2 THR A 128 -41.527 47.301 49.361 1.00 72.43 C ATOM 0 H THR A 128 -42.757 47.742 45.877 1.00 71.31 H new ATOM 0 HA THR A 128 -43.973 47.630 48.594 1.00 62.32 H new ATOM 0 HB THR A 128 -42.226 49.340 49.129 1.00 51.13 H new ATOM 0 HG1 THR A 128 -40.190 48.975 48.023 1.00 22.22 H new ATOM 0 HG21 THR A 128 -40.577 47.573 49.821 1.00 72.43 H new ATOM 0 HG22 THR A 128 -42.256 47.078 50.140 1.00 72.43 H new ATOM 0 HG23 THR A 128 -41.387 46.422 48.732 1.00 72.43 H new ATOM 1769 N ALA A 129 -44.804 50.050 48.305 1.00 33.05 N ATOM 1770 CA ALA A 129 -45.561 51.279 48.128 1.00 63.01 C ATOM 1771 C ALA A 129 -45.648 51.950 49.504 1.00 10.41 C ATOM 1772 O ALA A 129 -45.157 51.398 50.491 1.00 22.03 O ATOM 1773 CB ALA A 129 -46.963 50.953 47.589 1.00 10.21 C ATOM 0 H ALA A 129 -44.822 49.729 49.273 1.00 33.05 H new ATOM 0 HA ALA A 129 -45.080 51.944 47.411 1.00 63.01 H new ATOM 0 HB1 ALA A 129 -47.526 51.877 47.458 1.00 10.21 H new ATOM 0 HB2 ALA A 129 -46.875 50.443 46.630 1.00 10.21 H new ATOM 0 HB3 ALA A 129 -47.484 50.308 48.296 1.00 10.21 H new ATOM 1779 N ILE A 130 -46.298 53.108 49.575 1.00 24.31 N ATOM 1780 CA ILE A 130 -46.728 53.761 50.803 1.00 21.25 C ATOM 1781 C ILE A 130 -48.081 54.414 50.492 1.00 74.04 C ATOM 1782 O ILE A 130 -48.404 54.613 49.315 1.00 52.41 O ATOM 1783 CB ILE A 130 -45.625 54.736 51.294 1.00 5.15 C ATOM 1784 CG1 ILE A 130 -45.914 55.398 52.659 1.00 32.14 C ATOM 1785 CG2 ILE A 130 -45.305 55.837 50.263 1.00 42.50 C ATOM 1786 CD1 ILE A 130 -46.117 54.394 53.801 1.00 70.20 C ATOM 0 H ILE A 130 -46.549 53.638 48.741 1.00 24.31 H new ATOM 0 HA ILE A 130 -46.870 53.071 51.635 1.00 21.25 H new ATOM 0 HB ILE A 130 -44.757 54.089 51.421 1.00 5.15 H new ATOM 0 HG12 ILE A 130 -45.087 56.062 52.913 1.00 32.14 H new ATOM 0 HG13 ILE A 130 -46.805 56.019 52.570 1.00 32.14 H new ATOM 0 HG21 ILE A 130 -44.527 56.490 50.658 1.00 42.50 H new ATOM 0 HG22 ILE A 130 -44.958 55.379 49.337 1.00 42.50 H new ATOM 0 HG23 ILE A 130 -46.203 56.421 50.064 1.00 42.50 H new ATOM 0 HD11 ILE A 130 -46.315 54.932 54.728 1.00 70.20 H new ATOM 0 HD12 ILE A 130 -46.962 53.746 53.570 1.00 70.20 H new ATOM 0 HD13 ILE A 130 -45.218 53.789 53.918 1.00 70.20 H new ATOM 1797 N ALA A 131 -48.861 54.722 51.522 1.00 23.14 N ATOM 1798 CA ALA A 131 -50.070 55.522 51.515 1.00 23.35 C ATOM 1799 C ALA A 131 -50.117 56.220 52.872 1.00 64.11 C ATOM 1800 O ALA A 131 -49.419 55.720 53.788 1.00 72.04 O ATOM 1801 CB ALA A 131 -51.304 54.636 51.314 1.00 24.24 C ATOM 0 H ALA A 131 -48.641 54.388 52.460 1.00 23.14 H new ATOM 0 HA ALA A 131 -50.068 56.243 50.698 1.00 23.35 H new ATOM 0 HB1 ALA A 131 -52.201 55.256 51.312 1.00 24.24 H new ATOM 0 HB2 ALA A 131 -51.224 54.111 50.362 1.00 24.24 H new ATOM 0 HB3 ALA A 131 -51.367 53.910 52.125 1.00 24.24 H new TER 1807 ALA A 131