USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 938 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 89 THR OG1 : rot -84:sc= 1.19 USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= 1 F(o=-0.059,f=2.2) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.522 USER MOD Set 2.2: A 100 THR OG1 : rot -91:sc= 0.582 USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 50 LYS NZ :NH3+ -173:sc= -0.544 (180deg=-0.606) USER MOD Set 4.2: A 53 ASN : amide:sc= 0 K(o=-0.54,f=-1.7) USER MOD Set 5.1: A 21 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.954) USER MOD Set 5.2: A 103 THR OG1 : rot -98:sc= -1.4! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0976 (180deg=-0.0604) USER MOD Single : A 3 HIS : no HD1:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 6 HIS : no HE2:sc= 0.301 K(o=0.3,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 8 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 9 SER OG : rot 162:sc= 0.752 USER MOD Single : A 10 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.63) USER MOD Single : A 12 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.014) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 1.25 (180deg=0.872) USER MOD Single : A 17 MET CE :methyl 169:sc= 0 (180deg=-0.134) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 24 SER OG : rot 24:sc= 0.0849 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -170:sc= -0.387 USER MOD Single : A 38 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.6) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.091 K(o=-0.091,f=-2!) USER MOD Single : A 55 MET CE :methyl -152:sc= -1.66 (180deg=-2.66) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.0498 K(o=-0.05,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 64 SER OG : rot 122:sc= -0.9 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0124 F(o=-0.91,f=-0.012) USER MOD Single : A 70 THR OG1 : rot -30:sc= 0.844 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0722 F(o=-1.1,f=-0.072) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.228) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -20:sc= 0.366 USER MOD Single : A 94 ASN : amide:sc= 0.289 K(o=0.29,f=-7.2!) USER MOD Single : A 99 THR OG1 : rot 160:sc= -0.305 USER MOD Single : A 101 CYS SG : rot -75:sc= -6.08! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.649 K(o=-0.65,f=-6.3!) USER MOD Single : A 113 GLN : amide:sc=-0.000448 K(o=-0.00045,f=-0.55) USER MOD Single : A 114 THR OG1 : rot 45:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.847 -27.266 -6.604 1.00 31.44 N ATOM 2 CA MET A 1 45.486 -26.690 -6.409 1.00 44.44 C ATOM 3 C MET A 1 44.420 -27.792 -6.330 1.00 73.22 C ATOM 4 O MET A 1 44.738 -28.981 -6.369 1.00 25.40 O ATOM 5 CB MET A 1 45.144 -25.721 -7.550 1.00 74.22 C ATOM 6 CG MET A 1 46.006 -24.469 -7.576 1.00 62.41 C ATOM 7 SD MET A 1 45.560 -23.356 -8.923 1.00 30.32 S ATOM 8 CE MET A 1 46.710 -22.009 -8.649 1.00 33.23 C ATOM 0 H1 MET A 1 47.472 -26.947 -5.837 1.00 31.44 H new ATOM 0 H2 MET A 1 46.789 -28.304 -6.595 1.00 31.44 H new ATOM 0 H3 MET A 1 47.231 -26.949 -7.517 1.00 31.44 H new ATOM 0 HA MET A 1 45.491 -26.146 -5.464 1.00 44.44 H new ATOM 0 HB2 MET A 1 45.251 -26.243 -8.501 1.00 74.22 H new ATOM 0 HB3 MET A 1 44.098 -25.428 -7.463 1.00 74.22 H new ATOM 0 HG2 MET A 1 45.907 -23.943 -6.626 1.00 62.41 H new ATOM 0 HG3 MET A 1 47.053 -24.754 -7.675 1.00 62.41 H new ATOM 0 HE1 MET A 1 46.556 -21.240 -9.406 1.00 33.23 H new ATOM 0 HE2 MET A 1 46.543 -21.583 -7.660 1.00 33.23 H new ATOM 0 HE3 MET A 1 47.731 -22.384 -8.715 1.00 33.23 H new ATOM 20 N GLY A 2 43.155 -27.391 -6.210 1.00 33.11 N ATOM 21 CA GLY A 2 42.057 -28.352 -6.155 1.00 44.14 C ATOM 22 C GLY A 2 40.691 -27.698 -6.332 1.00 64.30 C ATOM 23 O GLY A 2 40.462 -26.972 -7.298 1.00 31.43 O ATOM 0 H GLY A 2 42.867 -26.414 -6.149 1.00 33.11 H new ATOM 0 HA2 GLY A 2 42.199 -29.103 -6.932 1.00 44.14 H new ATOM 0 HA3 GLY A 2 42.084 -28.874 -5.198 1.00 44.14 H new ATOM 27 N HIS A 3 39.779 -27.957 -5.399 1.00 40.55 N ATOM 28 CA HIS A 3 38.440 -27.359 -5.445 1.00 22.12 C ATOM 29 C HIS A 3 38.396 -26.060 -4.629 1.00 44.21 C ATOM 30 O HIS A 3 38.826 -26.029 -3.473 1.00 14.13 O ATOM 31 CB HIS A 3 37.396 -28.348 -4.912 1.00 15.25 C ATOM 32 CG HIS A 3 37.304 -29.615 -5.710 1.00 3.20 C ATOM 33 ND1 HIS A 3 36.251 -29.905 -6.551 1.00 75.04 N ATOM 34 CD2 HIS A 3 38.136 -30.678 -5.780 1.00 20.14 C ATOM 35 CE1 HIS A 3 36.439 -31.086 -7.102 1.00 0.24 C ATOM 36 NE2 HIS A 3 37.575 -31.578 -6.652 1.00 23.23 N ATOM 0 H HIS A 3 39.938 -28.574 -4.603 1.00 40.55 H new ATOM 0 HA HIS A 3 38.208 -27.124 -6.484 1.00 22.12 H new ATOM 0 HB2 HIS A 3 37.638 -28.596 -3.879 1.00 15.25 H new ATOM 0 HB3 HIS A 3 36.420 -27.863 -4.903 1.00 15.25 H new ATOM 0 HD2 HIS A 3 39.069 -30.797 -5.249 1.00 20.14 H new ATOM 0 HE1 HIS A 3 35.775 -31.569 -7.803 1.00 0.24 H new ATOM 0 HE2 HIS A 3 37.973 -32.481 -6.910 1.00 23.23 H new ATOM 45 N HIS A 4 37.872 -24.990 -5.228 1.00 11.34 N ATOM 46 CA HIS A 4 37.794 -23.691 -4.555 1.00 22.23 C ATOM 47 C HIS A 4 36.986 -23.793 -3.249 1.00 74.11 C ATOM 48 O HIS A 4 35.770 -24.007 -3.268 1.00 22.21 O ATOM 49 CB HIS A 4 37.170 -22.642 -5.484 1.00 21.54 C ATOM 50 CG HIS A 4 37.249 -21.241 -4.953 1.00 60.15 C ATOM 51 ND1 HIS A 4 38.246 -20.362 -5.311 1.00 13.52 N ATOM 52 CD2 HIS A 4 36.448 -20.565 -4.093 1.00 24.21 C ATOM 53 CE1 HIS A 4 38.058 -19.214 -4.696 1.00 73.25 C ATOM 54 NE2 HIS A 4 36.978 -19.309 -3.956 1.00 52.54 N ATOM 0 H HIS A 4 37.496 -24.996 -6.176 1.00 11.34 H new ATOM 0 HA HIS A 4 38.808 -23.380 -4.305 1.00 22.23 H new ATOM 0 HB2 HIS A 4 37.671 -22.683 -6.451 1.00 21.54 H new ATOM 0 HB3 HIS A 4 36.124 -22.898 -5.655 1.00 21.54 H new ATOM 0 HD2 HIS A 4 35.561 -20.944 -3.608 1.00 24.21 H new ATOM 0 HE1 HIS A 4 38.687 -18.340 -4.785 1.00 73.25 H new ATOM 0 HE2 HIS A 4 36.594 -18.566 -3.372 1.00 52.54 H new ATOM 63 N HIS A 5 37.676 -23.636 -2.123 1.00 44.22 N ATOM 64 CA HIS A 5 37.065 -23.782 -0.798 1.00 73.13 C ATOM 65 C HIS A 5 36.070 -22.652 -0.489 1.00 74.41 C ATOM 66 O HIS A 5 36.165 -21.553 -1.035 1.00 45.54 O ATOM 67 CB HIS A 5 38.161 -23.834 0.273 1.00 44.43 C ATOM 68 CG HIS A 5 39.066 -25.020 0.136 1.00 12.52 C ATOM 69 ND1 HIS A 5 40.177 -25.037 -0.684 1.00 61.52 N ATOM 70 CD2 HIS A 5 39.020 -26.239 0.721 1.00 4.21 C ATOM 71 CE1 HIS A 5 40.767 -26.210 -0.599 1.00 20.31 C ATOM 72 NE2 HIS A 5 40.090 -26.956 0.247 1.00 60.00 N ATOM 0 H HIS A 5 38.669 -23.405 -2.099 1.00 44.22 H new ATOM 0 HA HIS A 5 36.501 -24.715 -0.793 1.00 73.13 H new ATOM 0 HB2 HIS A 5 38.757 -22.923 0.218 1.00 44.43 H new ATOM 0 HB3 HIS A 5 37.696 -23.852 1.259 1.00 44.43 H new ATOM 0 HD2 HIS A 5 38.280 -26.583 1.428 1.00 4.21 H new ATOM 0 HE1 HIS A 5 41.656 -26.510 -1.133 1.00 20.31 H new ATOM 0 HE2 HIS A 5 40.323 -27.914 0.509 1.00 60.00 H new ATOM 81 N HIS A 6 35.110 -22.944 0.388 1.00 3.21 N ATOM 82 CA HIS A 6 34.056 -21.987 0.753 1.00 20.32 C ATOM 83 C HIS A 6 33.272 -22.463 1.991 1.00 4.41 C ATOM 84 O HIS A 6 33.150 -23.665 2.235 1.00 53.23 O ATOM 85 CB HIS A 6 33.102 -21.788 -0.435 1.00 55.23 C ATOM 86 CG HIS A 6 32.572 -23.075 -0.999 1.00 63.04 C ATOM 87 ND1 HIS A 6 33.097 -23.686 -2.119 1.00 24.23 N ATOM 88 CD2 HIS A 6 31.569 -23.878 -0.580 1.00 15.40 C ATOM 89 CE1 HIS A 6 32.441 -24.800 -2.360 1.00 32.14 C ATOM 90 NE2 HIS A 6 31.509 -24.946 -1.442 1.00 60.03 N ATOM 0 H HIS A 6 35.037 -23.843 0.865 1.00 3.21 H new ATOM 0 HA HIS A 6 34.528 -21.037 1.002 1.00 20.32 H new ATOM 0 HB2 HIS A 6 32.264 -21.167 -0.118 1.00 55.23 H new ATOM 0 HB3 HIS A 6 33.623 -21.243 -1.222 1.00 55.23 H new ATOM 0 HD1 HIS A 6 33.874 -23.329 -2.675 1.00 24.23 H new ATOM 0 HD2 HIS A 6 30.932 -23.711 0.276 1.00 15.40 H new ATOM 0 HE1 HIS A 6 32.635 -25.481 -3.175 1.00 32.14 H new ATOM 99 N HIS A 7 32.745 -21.523 2.772 1.00 61.23 N ATOM 100 CA HIS A 7 31.934 -21.860 3.954 1.00 44.03 C ATOM 101 C HIS A 7 30.475 -21.393 3.806 1.00 12.13 C ATOM 102 O HIS A 7 30.170 -20.491 3.026 1.00 33.22 O ATOM 103 CB HIS A 7 32.544 -21.244 5.221 1.00 43.41 C ATOM 104 CG HIS A 7 33.854 -21.848 5.627 1.00 23.41 C ATOM 105 ND1 HIS A 7 35.020 -21.121 5.731 1.00 71.43 N ATOM 106 CD2 HIS A 7 34.175 -23.115 5.983 1.00 43.10 C ATOM 107 CE1 HIS A 7 35.997 -21.910 6.126 1.00 5.44 C ATOM 108 NE2 HIS A 7 35.512 -23.122 6.287 1.00 44.22 N ATOM 0 H HIS A 7 32.861 -20.522 2.614 1.00 61.23 H new ATOM 0 HA HIS A 7 31.934 -22.947 4.040 1.00 44.03 H new ATOM 0 HB2 HIS A 7 32.683 -20.175 5.061 1.00 43.41 H new ATOM 0 HB3 HIS A 7 31.836 -21.354 6.042 1.00 43.41 H new ATOM 0 HD2 HIS A 7 33.504 -23.960 6.020 1.00 43.10 H new ATOM 0 HE1 HIS A 7 37.022 -21.613 6.290 1.00 5.44 H new ATOM 0 HE2 HIS A 7 36.045 -23.937 6.590 1.00 44.22 H new ATOM 117 N HIS A 8 29.582 -22.020 4.566 1.00 25.43 N ATOM 118 CA HIS A 8 28.160 -21.650 4.576 1.00 41.04 C ATOM 119 C HIS A 8 27.829 -20.780 5.804 1.00 0.42 C ATOM 120 O HIS A 8 28.722 -20.174 6.403 1.00 14.53 O ATOM 121 CB HIS A 8 27.292 -22.916 4.565 1.00 73.25 C ATOM 122 CG HIS A 8 27.302 -23.647 3.256 1.00 32.33 C ATOM 123 ND1 HIS A 8 26.152 -24.046 2.611 1.00 43.31 N ATOM 124 CD2 HIS A 8 28.327 -24.058 2.472 1.00 15.41 C ATOM 125 CE1 HIS A 8 26.464 -24.666 1.494 1.00 50.42 C ATOM 126 NE2 HIS A 8 27.774 -24.686 1.385 1.00 55.14 N ATOM 0 H HIS A 8 29.815 -22.793 5.189 1.00 25.43 H new ATOM 0 HA HIS A 8 27.946 -21.065 3.682 1.00 41.04 H new ATOM 0 HB2 HIS A 8 27.639 -23.589 5.349 1.00 73.25 H new ATOM 0 HB3 HIS A 8 26.266 -22.643 4.810 1.00 73.25 H new ATOM 0 HD2 HIS A 8 29.380 -23.918 2.666 1.00 15.41 H new ATOM 0 HE1 HIS A 8 25.764 -25.087 0.787 1.00 50.42 H new ATOM 0 HE2 HIS A 8 28.296 -25.102 0.614 1.00 55.14 H new ATOM 135 N SER A 9 26.550 -20.705 6.167 1.00 23.15 N ATOM 136 CA SER A 9 26.125 -19.926 7.342 1.00 41.20 C ATOM 137 C SER A 9 24.791 -20.431 7.909 1.00 75.44 C ATOM 138 O SER A 9 24.124 -21.273 7.305 1.00 5.43 O ATOM 139 CB SER A 9 25.988 -18.441 6.979 1.00 52.22 C ATOM 140 OG SER A 9 24.989 -18.244 5.989 1.00 0.23 O ATOM 0 H SER A 9 25.789 -21.169 5.671 1.00 23.15 H new ATOM 0 HA SER A 9 26.893 -20.052 8.105 1.00 41.20 H new ATOM 0 HB2 SER A 9 25.737 -17.867 7.871 1.00 52.22 H new ATOM 0 HB3 SER A 9 26.944 -18.063 6.615 1.00 52.22 H new ATOM 0 HG SER A 9 24.716 -17.303 5.983 1.00 0.23 H new ATOM 146 N HIS A 10 24.409 -19.906 9.072 1.00 1.55 N ATOM 147 CA HIS A 10 23.126 -20.241 9.701 1.00 70.43 C ATOM 148 C HIS A 10 22.364 -18.953 10.072 1.00 71.34 C ATOM 149 O HIS A 10 22.157 -18.642 11.247 1.00 3.30 O ATOM 150 CB HIS A 10 23.358 -21.122 10.939 1.00 45.34 C ATOM 151 CG HIS A 10 22.099 -21.614 11.586 1.00 73.43 C ATOM 152 ND1 HIS A 10 21.551 -21.027 12.704 1.00 74.32 N ATOM 153 CD2 HIS A 10 21.283 -22.650 11.274 1.00 54.32 C ATOM 154 CE1 HIS A 10 20.463 -21.680 13.055 1.00 3.31 C ATOM 155 NE2 HIS A 10 20.276 -22.668 12.207 1.00 70.42 N ATOM 0 H HIS A 10 24.972 -19.242 9.603 1.00 1.55 H new ATOM 0 HA HIS A 10 22.517 -20.803 8.993 1.00 70.43 H new ATOM 0 HB2 HIS A 10 23.965 -21.980 10.652 1.00 45.34 H new ATOM 0 HB3 HIS A 10 23.933 -20.556 11.672 1.00 45.34 H new ATOM 0 HD2 HIS A 10 21.402 -23.333 10.446 1.00 54.32 H new ATOM 0 HE1 HIS A 10 19.830 -21.444 13.898 1.00 3.31 H new ATOM 0 HE2 HIS A 10 19.508 -23.338 12.238 1.00 70.42 H new ATOM 164 N GLU A 11 21.967 -18.202 9.046 1.00 41.24 N ATOM 165 CA GLU A 11 21.279 -16.915 9.225 1.00 51.41 C ATOM 166 C GLU A 11 19.753 -17.078 9.143 1.00 0.40 C ATOM 167 O GLU A 11 19.254 -18.107 8.681 1.00 51.44 O ATOM 168 CB GLU A 11 21.754 -15.925 8.153 1.00 31.12 C ATOM 169 CG GLU A 11 23.259 -15.690 8.165 1.00 64.22 C ATOM 170 CD GLU A 11 23.736 -14.860 6.984 1.00 34.03 C ATOM 171 OE1 GLU A 11 23.664 -13.617 7.051 1.00 60.15 O ATOM 172 OE2 GLU A 11 24.197 -15.451 5.983 1.00 43.21 O ATOM 0 H GLU A 11 22.110 -18.463 8.070 1.00 41.24 H new ATOM 0 HA GLU A 11 21.523 -16.533 10.216 1.00 51.41 H new ATOM 0 HB2 GLU A 11 21.460 -16.297 7.171 1.00 31.12 H new ATOM 0 HB3 GLU A 11 21.245 -14.972 8.299 1.00 31.12 H new ATOM 0 HG2 GLU A 11 23.536 -15.187 9.092 1.00 64.22 H new ATOM 0 HG3 GLU A 11 23.772 -16.652 8.158 1.00 64.22 H new ATOM 179 N HIS A 12 19.011 -16.060 9.584 1.00 45.12 N ATOM 180 CA HIS A 12 17.543 -16.114 9.553 1.00 44.14 C ATOM 181 C HIS A 12 16.999 -15.539 8.237 1.00 51.03 C ATOM 182 O HIS A 12 17.080 -14.335 7.997 1.00 64.51 O ATOM 183 CB HIS A 12 16.952 -15.320 10.733 1.00 64.21 C ATOM 184 CG HIS A 12 17.432 -15.759 12.083 1.00 51.41 C ATOM 185 ND1 HIS A 12 17.061 -15.123 13.246 1.00 3.31 N ATOM 186 CD2 HIS A 12 18.254 -16.765 12.456 1.00 42.11 C ATOM 187 CE1 HIS A 12 17.630 -15.714 14.273 1.00 34.54 C ATOM 188 NE2 HIS A 12 18.357 -16.715 13.823 1.00 4.42 N ATOM 0 H HIS A 12 19.395 -15.195 9.964 1.00 45.12 H new ATOM 0 HA HIS A 12 17.248 -17.160 9.632 1.00 44.14 H new ATOM 0 HB2 HIS A 12 17.193 -14.265 10.601 1.00 64.21 H new ATOM 0 HB3 HIS A 12 15.866 -15.404 10.703 1.00 64.21 H new ATOM 0 HD2 HIS A 12 18.738 -17.474 11.801 1.00 42.11 H new ATOM 0 HE1 HIS A 12 17.520 -15.427 15.308 1.00 34.54 H new ATOM 0 HE2 HIS A 12 18.908 -17.351 14.399 1.00 4.42 H new ATOM 197 N LYS A 13 16.466 -16.404 7.377 1.00 61.23 N ATOM 198 CA LYS A 13 15.794 -15.966 6.147 1.00 32.12 C ATOM 199 C LYS A 13 14.334 -16.436 6.093 1.00 11.15 C ATOM 200 O LYS A 13 14.037 -17.605 6.344 1.00 25.13 O ATOM 201 CB LYS A 13 16.573 -16.431 4.908 1.00 1.13 C ATOM 202 CG LYS A 13 17.914 -15.722 4.761 1.00 35.22 C ATOM 203 CD LYS A 13 18.638 -16.105 3.478 1.00 23.01 C ATOM 204 CE LYS A 13 19.950 -15.342 3.340 1.00 24.41 C ATOM 205 NZ LYS A 13 20.687 -15.705 2.099 1.00 33.51 N ATOM 0 H LYS A 13 16.485 -17.416 7.506 1.00 61.23 H new ATOM 0 HA LYS A 13 15.778 -14.876 6.152 1.00 32.12 H new ATOM 0 HB2 LYS A 13 16.739 -17.506 4.970 1.00 1.13 H new ATOM 0 HB3 LYS A 13 15.972 -16.252 4.017 1.00 1.13 H new ATOM 0 HG2 LYS A 13 17.755 -14.644 4.777 1.00 35.22 H new ATOM 0 HG3 LYS A 13 18.545 -15.964 5.616 1.00 35.22 H new ATOM 0 HD2 LYS A 13 18.835 -17.177 3.474 1.00 23.01 H new ATOM 0 HD3 LYS A 13 18.000 -15.895 2.620 1.00 23.01 H new ATOM 0 HE2 LYS A 13 19.747 -14.271 3.339 1.00 24.41 H new ATOM 0 HE3 LYS A 13 20.579 -15.546 4.206 1.00 24.41 H new ATOM 0 HZ1 LYS A 13 21.673 -15.382 2.174 1.00 33.51 H new ATOM 0 HZ2 LYS A 13 20.669 -16.737 1.974 1.00 33.51 H new ATOM 0 HZ3 LYS A 13 20.235 -15.250 1.281 1.00 33.51 H new ATOM 219 N ARG A 14 13.428 -15.515 5.768 1.00 32.24 N ATOM 220 CA ARG A 14 11.994 -15.819 5.637 1.00 51.01 C ATOM 221 C ARG A 14 11.417 -15.197 4.353 1.00 12.31 C ATOM 222 O ARG A 14 11.670 -14.027 4.049 1.00 42.30 O ATOM 223 CB ARG A 14 11.210 -15.296 6.861 1.00 72.44 C ATOM 224 CG ARG A 14 10.783 -16.368 7.864 1.00 24.31 C ATOM 225 CD ARG A 14 11.970 -17.076 8.507 1.00 71.50 C ATOM 226 NE ARG A 14 11.544 -18.061 9.497 1.00 55.24 N ATOM 227 CZ ARG A 14 12.305 -19.014 9.964 1.00 62.24 C ATOM 228 NH1 ARG A 14 13.519 -19.171 9.543 1.00 63.30 N ATOM 229 NH2 ARG A 14 11.838 -19.830 10.847 1.00 43.10 N ATOM 0 H ARG A 14 13.661 -14.538 5.588 1.00 32.24 H new ATOM 0 HA ARG A 14 11.889 -16.903 5.583 1.00 51.01 H new ATOM 0 HB2 ARG A 14 11.825 -14.560 7.379 1.00 72.44 H new ATOM 0 HB3 ARG A 14 10.320 -14.776 6.508 1.00 72.44 H new ATOM 0 HG2 ARG A 14 10.173 -15.910 8.642 1.00 24.31 H new ATOM 0 HG3 ARG A 14 10.156 -17.103 7.359 1.00 24.31 H new ATOM 0 HD2 ARG A 14 12.561 -17.569 7.735 1.00 71.50 H new ATOM 0 HD3 ARG A 14 12.618 -16.340 8.983 1.00 71.50 H new ATOM 0 HE ARG A 14 10.588 -18.001 9.847 1.00 55.24 H new ATOM 0 HH11 ARG A 14 13.898 -18.544 8.833 1.00 63.30 H new ATOM 0 HH12 ARG A 14 14.097 -19.922 9.921 1.00 63.30 H new ATOM 0 HH21 ARG A 14 10.878 -19.729 11.177 1.00 43.10 H new ATOM 0 HH22 ARG A 14 12.428 -20.576 11.215 1.00 43.10 H new ATOM 243 N ALA A 15 10.648 -15.984 3.605 1.00 30.31 N ATOM 244 CA ALA A 15 9.955 -15.479 2.416 1.00 31.32 C ATOM 245 C ALA A 15 8.711 -14.663 2.817 1.00 74.40 C ATOM 246 O ALA A 15 7.937 -15.093 3.675 1.00 44.20 O ATOM 247 CB ALA A 15 9.566 -16.633 1.497 1.00 51.14 C ATOM 0 H ALA A 15 10.487 -16.973 3.798 1.00 30.31 H new ATOM 0 HA ALA A 15 10.635 -14.820 1.875 1.00 31.32 H new ATOM 0 HB1 ALA A 15 9.052 -16.242 0.619 1.00 51.14 H new ATOM 0 HB2 ALA A 15 10.463 -17.168 1.185 1.00 51.14 H new ATOM 0 HB3 ALA A 15 8.904 -17.316 2.030 1.00 51.14 H new ATOM 253 N PRO A 16 8.498 -13.482 2.196 1.00 21.43 N ATOM 254 CA PRO A 16 7.402 -12.567 2.572 1.00 73.51 C ATOM 255 C PRO A 16 6.011 -13.219 2.511 1.00 11.33 C ATOM 256 O PRO A 16 5.632 -13.823 1.507 1.00 12.24 O ATOM 257 CB PRO A 16 7.512 -11.420 1.549 1.00 32.51 C ATOM 258 CG PRO A 16 8.348 -11.964 0.439 1.00 73.33 C ATOM 259 CD PRO A 16 9.289 -12.951 1.075 1.00 20.23 C ATOM 0 HA PRO A 16 7.500 -12.243 3.608 1.00 73.51 H new ATOM 0 HB2 PRO A 16 6.528 -11.118 1.189 1.00 32.51 H new ATOM 0 HB3 PRO A 16 7.974 -10.539 1.994 1.00 32.51 H new ATOM 0 HG2 PRO A 16 7.728 -12.447 -0.316 1.00 73.33 H new ATOM 0 HG3 PRO A 16 8.898 -11.167 -0.062 1.00 73.33 H new ATOM 0 HD2 PRO A 16 9.582 -13.737 0.379 1.00 20.23 H new ATOM 0 HD3 PRO A 16 10.206 -12.472 1.418 1.00 20.23 H new ATOM 267 N MET A 17 5.257 -13.082 3.600 1.00 2.34 N ATOM 268 CA MET A 17 3.911 -13.660 3.704 1.00 45.24 C ATOM 269 C MET A 17 2.879 -12.615 4.164 1.00 50.31 C ATOM 270 O MET A 17 3.059 -11.966 5.199 1.00 13.41 O ATOM 271 CB MET A 17 3.936 -14.846 4.684 1.00 22.21 C ATOM 272 CG MET A 17 2.557 -15.387 5.044 1.00 31.53 C ATOM 273 SD MET A 17 1.604 -15.881 3.596 1.00 63.54 S ATOM 274 CE MET A 17 0.058 -16.352 4.371 1.00 74.13 C ATOM 0 H MET A 17 5.555 -12.572 4.431 1.00 2.34 H new ATOM 0 HA MET A 17 3.611 -14.005 2.715 1.00 45.24 H new ATOM 0 HB2 MET A 17 4.527 -15.651 4.248 1.00 22.21 H new ATOM 0 HB3 MET A 17 4.443 -14.537 5.598 1.00 22.21 H new ATOM 0 HG2 MET A 17 2.669 -16.243 5.709 1.00 31.53 H new ATOM 0 HG3 MET A 17 2.005 -14.626 5.595 1.00 31.53 H new ATOM 0 HE1 MET A 17 -0.704 -16.496 3.605 1.00 74.13 H new ATOM 0 HE2 MET A 17 0.197 -17.281 4.924 1.00 74.13 H new ATOM 0 HE3 MET A 17 -0.260 -15.566 5.056 1.00 74.13 H new ATOM 284 N PHE A 18 1.802 -12.457 3.389 1.00 52.03 N ATOM 285 CA PHE A 18 0.693 -11.574 3.772 1.00 14.10 C ATOM 286 C PHE A 18 -0.194 -12.227 4.842 1.00 41.12 C ATOM 287 O PHE A 18 -0.964 -13.144 4.552 1.00 2.51 O ATOM 288 CB PHE A 18 -0.177 -11.209 2.554 1.00 63.15 C ATOM 289 CG PHE A 18 0.372 -10.094 1.697 1.00 41.22 C ATOM 290 CD1 PHE A 18 0.172 -8.768 2.052 1.00 1.54 C ATOM 291 CD2 PHE A 18 1.069 -10.369 0.530 1.00 21.45 C ATOM 292 CE1 PHE A 18 0.655 -7.742 1.263 1.00 35.12 C ATOM 293 CE2 PHE A 18 1.556 -9.346 -0.261 1.00 64.11 C ATOM 294 CZ PHE A 18 1.350 -8.032 0.105 1.00 34.23 C ATOM 0 H PHE A 18 1.673 -12.928 2.493 1.00 52.03 H new ATOM 0 HA PHE A 18 1.138 -10.666 4.180 1.00 14.10 H new ATOM 0 HB2 PHE A 18 -0.301 -12.097 1.935 1.00 63.15 H new ATOM 0 HB3 PHE A 18 -1.169 -10.924 2.905 1.00 63.15 H new ATOM 0 HD1 PHE A 18 -0.369 -8.535 2.957 1.00 1.54 H new ATOM 0 HD2 PHE A 18 1.233 -11.395 0.236 1.00 21.45 H new ATOM 0 HE1 PHE A 18 0.489 -6.714 1.551 1.00 35.12 H new ATOM 0 HE2 PHE A 18 2.098 -9.575 -1.166 1.00 64.11 H new ATOM 0 HZ PHE A 18 1.731 -7.232 -0.512 1.00 34.23 H new ATOM 304 N ILE A 19 -0.078 -11.756 6.079 1.00 31.04 N ATOM 305 CA ILE A 19 -0.961 -12.210 7.159 1.00 34.11 C ATOM 306 C ILE A 19 -2.330 -11.517 7.049 1.00 3.21 C ATOM 307 O ILE A 19 -3.373 -12.114 7.320 1.00 52.55 O ATOM 308 CB ILE A 19 -0.346 -11.929 8.556 1.00 4.02 C ATOM 309 CG1 ILE A 19 1.123 -12.381 8.599 1.00 22.14 C ATOM 310 CG2 ILE A 19 -1.152 -12.637 9.646 1.00 44.24 C ATOM 311 CD1 ILE A 19 1.820 -12.072 9.911 1.00 2.23 C ATOM 0 H ILE A 19 0.614 -11.063 6.363 1.00 31.04 H new ATOM 0 HA ILE A 19 -1.085 -13.288 7.053 1.00 34.11 H new ATOM 0 HB ILE A 19 -0.383 -10.855 8.739 1.00 4.02 H new ATOM 0 HG12 ILE A 19 1.169 -13.455 8.418 1.00 22.14 H new ATOM 0 HG13 ILE A 19 1.666 -11.898 7.787 1.00 22.14 H new ATOM 0 HG21 ILE A 19 -0.708 -12.430 10.620 1.00 44.24 H new ATOM 0 HG22 ILE A 19 -2.180 -12.275 9.632 1.00 44.24 H new ATOM 0 HG23 ILE A 19 -1.144 -13.712 9.465 1.00 44.24 H new ATOM 0 HD11 ILE A 19 2.852 -12.420 9.866 1.00 2.23 H new ATOM 0 HD12 ILE A 19 1.807 -10.996 10.085 1.00 2.23 H new ATOM 0 HD13 ILE A 19 1.302 -12.578 10.726 1.00 2.23 H new ATOM 323 N TYR A 20 -2.303 -10.245 6.648 1.00 64.42 N ATOM 324 CA TYR A 20 -3.524 -9.464 6.393 1.00 2.30 C ATOM 325 C TYR A 20 -3.357 -8.618 5.125 1.00 3.32 C ATOM 326 O TYR A 20 -2.301 -8.024 4.913 1.00 15.13 O ATOM 327 CB TYR A 20 -3.833 -8.515 7.561 1.00 11.43 C ATOM 328 CG TYR A 20 -4.001 -9.185 8.911 1.00 24.51 C ATOM 329 CD1 TYR A 20 -5.206 -9.772 9.280 1.00 53.15 C ATOM 330 CD2 TYR A 20 -2.955 -9.210 9.824 1.00 43.34 C ATOM 331 CE1 TYR A 20 -5.361 -10.363 10.517 1.00 23.02 C ATOM 332 CE2 TYR A 20 -3.100 -9.804 11.063 1.00 30.41 C ATOM 333 CZ TYR A 20 -4.307 -10.378 11.404 1.00 62.34 C ATOM 334 OH TYR A 20 -4.463 -10.961 12.644 1.00 53.24 O ATOM 0 H TYR A 20 -1.440 -9.725 6.490 1.00 64.42 H new ATOM 0 HA TYR A 20 -4.343 -10.173 6.275 1.00 2.30 H new ATOM 0 HB2 TYR A 20 -3.030 -7.782 7.635 1.00 11.43 H new ATOM 0 HB3 TYR A 20 -4.746 -7.966 7.330 1.00 11.43 H new ATOM 0 HD1 TYR A 20 -6.034 -9.765 8.587 1.00 53.15 H new ATOM 0 HD2 TYR A 20 -2.011 -8.757 9.561 1.00 43.34 H new ATOM 0 HE1 TYR A 20 -6.305 -10.812 10.789 1.00 23.02 H new ATOM 0 HE2 TYR A 20 -2.275 -9.819 11.759 1.00 30.41 H new ATOM 0 HH TYR A 20 -3.625 -10.888 13.147 1.00 53.24 H new ATOM 344 N LYS A 21 -4.388 -8.567 4.285 1.00 44.44 N ATOM 345 CA LYS A 21 -4.390 -7.676 3.116 1.00 23.00 C ATOM 346 C LYS A 21 -5.197 -6.392 3.401 1.00 75.24 C ATOM 347 O LYS A 21 -6.185 -6.428 4.139 1.00 12.12 O ATOM 348 CB LYS A 21 -4.980 -8.387 1.887 1.00 62.25 C ATOM 349 CG LYS A 21 -6.471 -8.702 1.999 1.00 21.43 C ATOM 350 CD LYS A 21 -7.032 -9.300 0.708 1.00 25.12 C ATOM 351 CE LYS A 21 -6.907 -8.339 -0.472 1.00 75.15 C ATOM 352 NZ LYS A 21 -7.621 -7.055 -0.237 1.00 12.51 N ATOM 0 H LYS A 21 -5.233 -9.129 4.387 1.00 44.44 H new ATOM 0 HA LYS A 21 -3.355 -7.405 2.909 1.00 23.00 H new ATOM 0 HB2 LYS A 21 -4.817 -7.763 1.008 1.00 62.25 H new ATOM 0 HB3 LYS A 21 -4.435 -9.317 1.723 1.00 62.25 H new ATOM 0 HG2 LYS A 21 -6.633 -9.399 2.821 1.00 21.43 H new ATOM 0 HG3 LYS A 21 -7.016 -7.790 2.242 1.00 21.43 H new ATOM 0 HD2 LYS A 21 -6.504 -10.226 0.479 1.00 25.12 H new ATOM 0 HD3 LYS A 21 -8.081 -9.559 0.855 1.00 25.12 H new ATOM 0 HE2 LYS A 21 -5.853 -8.136 -0.661 1.00 75.15 H new ATOM 0 HE3 LYS A 21 -7.306 -8.815 -1.368 1.00 75.15 H new ATOM 0 HZ1 LYS A 21 -7.608 -6.486 -1.107 1.00 12.51 H new ATOM 0 HZ2 LYS A 21 -8.606 -7.250 0.034 1.00 12.51 H new ATOM 0 HZ3 LYS A 21 -7.149 -6.530 0.527 1.00 12.51 H new ATOM 366 N PRO A 22 -4.786 -5.237 2.832 1.00 72.32 N ATOM 367 CA PRO A 22 -5.564 -3.989 2.946 1.00 20.35 C ATOM 368 C PRO A 22 -6.999 -4.128 2.394 1.00 44.30 C ATOM 369 O PRO A 22 -7.259 -4.929 1.488 1.00 1.10 O ATOM 370 CB PRO A 22 -4.760 -2.962 2.123 1.00 23.01 C ATOM 371 CG PRO A 22 -3.726 -3.740 1.365 1.00 25.10 C ATOM 372 CD PRO A 22 -3.532 -5.050 2.080 1.00 71.20 C ATOM 0 HA PRO A 22 -5.692 -3.698 3.989 1.00 20.35 H new ATOM 0 HB2 PRO A 22 -5.412 -2.416 1.441 1.00 23.01 H new ATOM 0 HB3 PRO A 22 -4.291 -2.225 2.774 1.00 23.01 H new ATOM 0 HG2 PRO A 22 -4.049 -3.908 0.338 1.00 25.10 H new ATOM 0 HG3 PRO A 22 -2.788 -3.187 1.317 1.00 25.10 H new ATOM 0 HD2 PRO A 22 -3.363 -5.866 1.378 1.00 71.20 H new ATOM 0 HD3 PRO A 22 -2.669 -5.017 2.745 1.00 71.20 H new ATOM 380 N GLN A 23 -7.928 -3.344 2.945 1.00 30.40 N ATOM 381 CA GLN A 23 -9.342 -3.388 2.536 1.00 74.13 C ATOM 382 C GLN A 23 -9.699 -2.212 1.607 1.00 42.23 C ATOM 383 O GLN A 23 -9.179 -1.110 1.767 1.00 31.44 O ATOM 384 CB GLN A 23 -10.246 -3.358 3.780 1.00 13.34 C ATOM 385 CG GLN A 23 -11.740 -3.402 3.467 1.00 31.11 C ATOM 386 CD GLN A 23 -12.615 -3.250 4.702 1.00 50.15 C ATOM 387 OE1 GLN A 23 -12.246 -3.651 5.802 1.00 24.40 O ATOM 388 NE2 GLN A 23 -13.780 -2.662 4.532 1.00 33.23 N ATOM 0 H GLN A 23 -7.729 -2.666 3.680 1.00 30.40 H new ATOM 0 HA GLN A 23 -9.502 -4.315 1.985 1.00 74.13 H new ATOM 0 HB2 GLN A 23 -9.995 -4.205 4.419 1.00 13.34 H new ATOM 0 HB3 GLN A 23 -10.032 -2.454 4.350 1.00 13.34 H new ATOM 0 HG2 GLN A 23 -11.980 -2.608 2.759 1.00 31.11 H new ATOM 0 HG3 GLN A 23 -11.975 -4.347 2.977 1.00 31.11 H new ATOM 0 HE21 GLN A 23 -14.058 -2.340 3.605 1.00 33.23 H new ATOM 0 HE22 GLN A 23 -14.405 -2.529 5.327 1.00 33.23 H new ATOM 397 N SER A 24 -10.590 -2.451 0.642 1.00 13.22 N ATOM 398 CA SER A 24 -11.027 -1.393 -0.285 1.00 13.24 C ATOM 399 C SER A 24 -11.792 -0.282 0.455 1.00 65.44 C ATOM 400 O SER A 24 -12.748 -0.553 1.185 1.00 33.33 O ATOM 401 CB SER A 24 -11.901 -1.973 -1.410 1.00 1.53 C ATOM 402 OG SER A 24 -13.101 -2.547 -0.907 1.00 64.52 O ATOM 0 H SER A 24 -11.023 -3.360 0.479 1.00 13.22 H new ATOM 0 HA SER A 24 -10.131 -0.958 -0.727 1.00 13.24 H new ATOM 0 HB2 SER A 24 -12.146 -1.185 -2.122 1.00 1.53 H new ATOM 0 HB3 SER A 24 -11.337 -2.730 -1.954 1.00 1.53 H new ATOM 0 HG SER A 24 -13.318 -2.144 -0.040 1.00 64.52 H new ATOM 408 N LYS A 25 -11.370 0.966 0.255 1.00 15.45 N ATOM 409 CA LYS A 25 -11.928 2.111 0.995 1.00 13.12 C ATOM 410 C LYS A 25 -12.580 3.143 0.061 1.00 53.51 C ATOM 411 O LYS A 25 -12.032 3.488 -0.983 1.00 21.14 O ATOM 412 CB LYS A 25 -10.822 2.789 1.814 1.00 1.32 C ATOM 413 CG LYS A 25 -10.211 1.899 2.894 1.00 21.23 C ATOM 414 CD LYS A 25 -11.193 1.613 4.025 1.00 63.25 C ATOM 415 CE LYS A 25 -10.574 0.719 5.090 1.00 41.50 C ATOM 416 NZ LYS A 25 -11.458 0.579 6.277 1.00 61.12 N ATOM 0 H LYS A 25 -10.642 1.216 -0.414 1.00 15.45 H new ATOM 0 HA LYS A 25 -12.704 1.725 1.657 1.00 13.12 H new ATOM 0 HB2 LYS A 25 -10.032 3.115 1.138 1.00 1.32 H new ATOM 0 HB3 LYS A 25 -11.229 3.684 2.284 1.00 1.32 H new ATOM 0 HG2 LYS A 25 -9.888 0.958 2.448 1.00 21.23 H new ATOM 0 HG3 LYS A 25 -9.322 2.381 3.300 1.00 21.23 H new ATOM 0 HD2 LYS A 25 -11.512 2.552 4.477 1.00 63.25 H new ATOM 0 HD3 LYS A 25 -12.085 1.135 3.621 1.00 63.25 H new ATOM 0 HE2 LYS A 25 -10.375 -0.266 4.667 1.00 41.50 H new ATOM 0 HE3 LYS A 25 -9.614 1.133 5.399 1.00 41.50 H new ATOM 0 HZ1 LYS A 25 -11.001 -0.037 6.979 1.00 61.12 H new ATOM 0 HZ2 LYS A 25 -11.627 1.516 6.696 1.00 61.12 H new ATOM 0 HZ3 LYS A 25 -12.365 0.160 5.987 1.00 61.12 H new ATOM 430 N LYS A 26 -13.748 3.643 0.461 1.00 43.11 N ATOM 431 CA LYS A 26 -14.481 4.658 -0.311 1.00 31.25 C ATOM 432 C LYS A 26 -14.520 6.011 0.432 1.00 24.04 C ATOM 433 O LYS A 26 -15.001 6.096 1.565 1.00 24.40 O ATOM 434 CB LYS A 26 -15.907 4.155 -0.594 1.00 11.30 C ATOM 435 CG LYS A 26 -16.674 3.744 0.659 1.00 24.30 C ATOM 436 CD LYS A 26 -18.030 3.128 0.331 1.00 50.31 C ATOM 437 CE LYS A 26 -18.762 2.699 1.597 1.00 20.15 C ATOM 438 NZ LYS A 26 -20.056 2.035 1.294 1.00 13.12 N ATOM 0 H LYS A 26 -14.215 3.361 1.323 1.00 43.11 H new ATOM 0 HA LYS A 26 -13.960 4.820 -1.255 1.00 31.25 H new ATOM 0 HB2 LYS A 26 -16.463 4.938 -1.109 1.00 11.30 H new ATOM 0 HB3 LYS A 26 -15.854 3.303 -1.272 1.00 11.30 H new ATOM 0 HG2 LYS A 26 -16.080 3.028 1.227 1.00 24.30 H new ATOM 0 HG3 LYS A 26 -16.818 4.616 1.297 1.00 24.30 H new ATOM 0 HD2 LYS A 26 -18.637 3.849 -0.216 1.00 50.31 H new ATOM 0 HD3 LYS A 26 -17.892 2.266 -0.322 1.00 50.31 H new ATOM 0 HE2 LYS A 26 -18.130 2.019 2.168 1.00 20.15 H new ATOM 0 HE3 LYS A 26 -18.941 3.571 2.226 1.00 20.15 H new ATOM 0 HZ1 LYS A 26 -20.521 1.759 2.182 1.00 13.12 H new ATOM 0 HZ2 LYS A 26 -20.670 2.692 0.771 1.00 13.12 H new ATOM 0 HZ3 LYS A 26 -19.884 1.188 0.716 1.00 13.12 H new ATOM 452 N VAL A 27 -13.997 7.064 -0.206 1.00 21.05 N ATOM 453 CA VAL A 27 -13.952 8.413 0.392 1.00 55.14 C ATOM 454 C VAL A 27 -14.318 9.508 -0.630 1.00 51.11 C ATOM 455 O VAL A 27 -14.532 9.230 -1.812 1.00 23.11 O ATOM 456 CB VAL A 27 -12.548 8.729 0.981 1.00 44.45 C ATOM 457 CG1 VAL A 27 -12.233 7.813 2.166 1.00 33.13 C ATOM 458 CG2 VAL A 27 -11.471 8.613 -0.100 1.00 64.20 C ATOM 0 H VAL A 27 -13.595 7.012 -1.142 1.00 21.05 H new ATOM 0 HA VAL A 27 -14.691 8.413 1.194 1.00 55.14 H new ATOM 0 HB VAL A 27 -12.556 9.756 1.345 1.00 44.45 H new ATOM 0 HG11 VAL A 27 -11.246 8.054 2.560 1.00 33.13 H new ATOM 0 HG12 VAL A 27 -12.980 7.958 2.946 1.00 33.13 H new ATOM 0 HG13 VAL A 27 -12.248 6.774 1.837 1.00 33.13 H new ATOM 0 HG21 VAL A 27 -10.496 8.838 0.332 1.00 64.20 H new ATOM 0 HG22 VAL A 27 -11.465 7.599 -0.501 1.00 64.20 H new ATOM 0 HG23 VAL A 27 -11.684 9.319 -0.903 1.00 64.20 H new ATOM 468 N LEU A 28 -14.384 10.757 -0.166 1.00 31.34 N ATOM 469 CA LEU A 28 -14.702 11.900 -1.034 1.00 40.32 C ATOM 470 C LEU A 28 -13.447 12.741 -1.349 1.00 1.23 C ATOM 471 O LEU A 28 -12.401 12.587 -0.714 1.00 54.11 O ATOM 472 CB LEU A 28 -15.760 12.792 -0.363 1.00 34.22 C ATOM 473 CG LEU A 28 -17.117 12.127 -0.071 1.00 51.42 C ATOM 474 CD1 LEU A 28 -18.044 13.094 0.664 1.00 62.31 C ATOM 475 CD2 LEU A 28 -17.766 11.639 -1.361 1.00 51.30 C ATOM 0 H LEU A 28 -14.221 11.007 0.809 1.00 31.34 H new ATOM 0 HA LEU A 28 -15.091 11.504 -1.972 1.00 40.32 H new ATOM 0 HB2 LEU A 28 -15.350 13.163 0.576 1.00 34.22 H new ATOM 0 HB3 LEU A 28 -15.933 13.659 -1.001 1.00 34.22 H new ATOM 0 HG LEU A 28 -16.942 11.264 0.572 1.00 51.42 H new ATOM 0 HD11 LEU A 28 -18.998 12.605 0.861 1.00 62.31 H new ATOM 0 HD12 LEU A 28 -17.586 13.390 1.608 1.00 62.31 H new ATOM 0 HD13 LEU A 28 -18.210 13.978 0.048 1.00 62.31 H new ATOM 0 HD21 LEU A 28 -18.724 11.172 -1.132 1.00 51.30 H new ATOM 0 HD22 LEU A 28 -17.925 12.484 -2.031 1.00 51.30 H new ATOM 0 HD23 LEU A 28 -17.114 10.911 -1.844 1.00 51.30 H new ATOM 487 N GLU A 29 -13.567 13.635 -2.334 1.00 32.33 N ATOM 488 CA GLU A 29 -12.468 14.545 -2.705 1.00 74.22 C ATOM 489 C GLU A 29 -12.085 15.479 -1.545 1.00 0.43 C ATOM 490 O GLU A 29 -12.843 16.379 -1.191 1.00 53.11 O ATOM 491 CB GLU A 29 -12.864 15.398 -3.916 1.00 11.02 C ATOM 492 CG GLU A 29 -13.154 14.608 -5.181 1.00 43.11 C ATOM 493 CD GLU A 29 -13.474 15.519 -6.354 1.00 72.51 C ATOM 494 OE1 GLU A 29 -14.572 16.118 -6.363 1.00 64.40 O ATOM 495 OE2 GLU A 29 -12.627 15.647 -7.267 1.00 4.04 O ATOM 0 H GLU A 29 -14.413 13.752 -2.892 1.00 32.33 H new ATOM 0 HA GLU A 29 -11.608 13.922 -2.951 1.00 74.22 H new ATOM 0 HB2 GLU A 29 -13.747 15.983 -3.658 1.00 11.02 H new ATOM 0 HB3 GLU A 29 -12.062 16.107 -4.122 1.00 11.02 H new ATOM 0 HG2 GLU A 29 -12.293 13.987 -5.427 1.00 43.11 H new ATOM 0 HG3 GLU A 29 -13.993 13.934 -5.005 1.00 43.11 H new ATOM 502 N GLY A 30 -10.905 15.275 -0.971 1.00 72.32 N ATOM 503 CA GLY A 30 -10.450 16.109 0.139 1.00 13.53 C ATOM 504 C GLY A 30 -10.384 15.353 1.460 1.00 62.34 C ATOM 505 O GLY A 30 -9.887 15.876 2.461 1.00 23.44 O ATOM 0 H GLY A 30 -10.249 14.546 -1.252 1.00 72.32 H new ATOM 0 HA2 GLY A 30 -9.463 16.509 -0.094 1.00 13.53 H new ATOM 0 HA3 GLY A 30 -11.122 16.960 0.247 1.00 13.53 H new ATOM 509 N ASP A 31 -10.904 14.132 1.472 1.00 44.33 N ATOM 510 CA ASP A 31 -10.803 13.255 2.640 1.00 61.11 C ATOM 511 C ASP A 31 -9.484 12.463 2.617 1.00 15.12 C ATOM 512 O ASP A 31 -8.696 12.564 1.671 1.00 1.21 O ATOM 513 CB ASP A 31 -12.006 12.303 2.687 1.00 33.12 C ATOM 514 CG ASP A 31 -13.312 13.033 2.960 1.00 21.22 C ATOM 515 OD1 ASP A 31 -13.803 13.748 2.064 1.00 43.51 O ATOM 516 OD2 ASP A 31 -13.862 12.894 4.075 1.00 41.34 O ATOM 0 H ASP A 31 -11.403 13.722 0.683 1.00 44.33 H new ATOM 0 HA ASP A 31 -10.808 13.871 3.539 1.00 61.11 H new ATOM 0 HB2 ASP A 31 -12.082 11.770 1.739 1.00 33.12 H new ATOM 0 HB3 ASP A 31 -11.843 11.554 3.461 1.00 33.12 H new ATOM 521 N SER A 32 -9.242 11.679 3.664 1.00 43.22 N ATOM 522 CA SER A 32 -8.004 10.893 3.775 1.00 73.33 C ATOM 523 C SER A 32 -8.293 9.406 4.018 1.00 23.02 C ATOM 524 O SER A 32 -9.378 9.030 4.468 1.00 72.31 O ATOM 525 CB SER A 32 -7.122 11.438 4.907 1.00 51.53 C ATOM 526 OG SER A 32 -7.778 11.357 6.164 1.00 31.33 O ATOM 0 H SER A 32 -9.882 11.567 4.450 1.00 43.22 H new ATOM 0 HA SER A 32 -7.477 10.985 2.826 1.00 73.33 H new ATOM 0 HB2 SER A 32 -6.189 10.876 4.946 1.00 51.53 H new ATOM 0 HB3 SER A 32 -6.860 12.475 4.698 1.00 51.53 H new ATOM 0 HG SER A 32 -7.189 11.710 6.864 1.00 31.33 H new ATOM 532 N VAL A 33 -7.306 8.567 3.724 1.00 22.44 N ATOM 533 CA VAL A 33 -7.438 7.117 3.874 1.00 1.24 C ATOM 534 C VAL A 33 -6.124 6.488 4.377 1.00 74.55 C ATOM 535 O VAL A 33 -5.050 7.089 4.265 1.00 65.25 O ATOM 536 CB VAL A 33 -7.841 6.460 2.526 1.00 34.03 C ATOM 537 CG1 VAL A 33 -6.723 6.602 1.494 1.00 52.13 C ATOM 538 CG2 VAL A 33 -8.224 4.994 2.725 1.00 24.34 C ATOM 0 H VAL A 33 -6.395 8.868 3.377 1.00 22.44 H new ATOM 0 HA VAL A 33 -8.220 6.935 4.611 1.00 1.24 H new ATOM 0 HB VAL A 33 -8.717 6.984 2.144 1.00 34.03 H new ATOM 0 HG11 VAL A 33 -7.030 6.134 0.559 1.00 52.13 H new ATOM 0 HG12 VAL A 33 -6.519 7.659 1.321 1.00 52.13 H new ATOM 0 HG13 VAL A 33 -5.821 6.115 1.865 1.00 52.13 H new ATOM 0 HG21 VAL A 33 -8.502 4.557 1.766 1.00 24.34 H new ATOM 0 HG22 VAL A 33 -7.376 4.449 3.139 1.00 24.34 H new ATOM 0 HG23 VAL A 33 -9.068 4.928 3.412 1.00 24.34 H new ATOM 548 N LYS A 34 -6.215 5.284 4.936 1.00 13.34 N ATOM 549 CA LYS A 34 -5.037 4.553 5.404 1.00 63.15 C ATOM 550 C LYS A 34 -5.170 3.042 5.144 1.00 43.14 C ATOM 551 O LYS A 34 -6.106 2.393 5.618 1.00 0.24 O ATOM 552 CB LYS A 34 -4.802 4.828 6.895 1.00 21.32 C ATOM 553 CG LYS A 34 -6.018 4.569 7.783 1.00 62.02 C ATOM 554 CD LYS A 34 -5.738 4.942 9.236 1.00 24.32 C ATOM 555 CE LYS A 34 -5.376 6.418 9.381 1.00 63.43 C ATOM 556 NZ LYS A 34 -5.054 6.778 10.786 1.00 14.22 N ATOM 0 H LYS A 34 -7.096 4.791 5.077 1.00 13.34 H new ATOM 0 HA LYS A 34 -4.174 4.907 4.840 1.00 63.15 H new ATOM 0 HB2 LYS A 34 -3.976 4.207 7.241 1.00 21.32 H new ATOM 0 HB3 LYS A 34 -4.493 5.866 7.016 1.00 21.32 H new ATOM 0 HG2 LYS A 34 -6.868 5.145 7.416 1.00 62.02 H new ATOM 0 HG3 LYS A 34 -6.296 3.517 7.723 1.00 62.02 H new ATOM 0 HD2 LYS A 34 -6.615 4.721 9.844 1.00 24.32 H new ATOM 0 HD3 LYS A 34 -4.923 4.328 9.619 1.00 24.32 H new ATOM 0 HE2 LYS A 34 -4.522 6.646 8.744 1.00 63.43 H new ATOM 0 HE3 LYS A 34 -6.207 7.031 9.031 1.00 63.43 H new ATOM 0 HZ1 LYS A 34 -4.814 7.789 10.839 1.00 14.22 H new ATOM 0 HZ2 LYS A 34 -5.878 6.585 11.391 1.00 14.22 H new ATOM 0 HZ3 LYS A 34 -4.245 6.212 11.113 1.00 14.22 H new ATOM 570 N LEU A 35 -4.229 2.495 4.379 1.00 3.32 N ATOM 571 CA LEU A 35 -4.217 1.065 4.052 1.00 73.04 C ATOM 572 C LEU A 35 -2.996 0.383 4.684 1.00 10.21 C ATOM 573 O LEU A 35 -1.858 0.656 4.301 1.00 64.14 O ATOM 574 CB LEU A 35 -4.193 0.875 2.526 1.00 14.22 C ATOM 575 CG LEU A 35 -5.390 1.477 1.766 1.00 11.43 C ATOM 576 CD1 LEU A 35 -5.228 1.280 0.257 1.00 55.43 C ATOM 577 CD2 LEU A 35 -6.702 0.861 2.257 1.00 13.44 C ATOM 0 H LEU A 35 -3.458 3.022 3.969 1.00 3.32 H new ATOM 0 HA LEU A 35 -5.121 0.607 4.454 1.00 73.04 H new ATOM 0 HB2 LEU A 35 -3.277 1.318 2.136 1.00 14.22 H new ATOM 0 HB3 LEU A 35 -4.147 -0.193 2.311 1.00 14.22 H new ATOM 0 HG LEU A 35 -5.420 2.548 1.966 1.00 11.43 H new ATOM 0 HD11 LEU A 35 -6.084 1.713 -0.260 1.00 55.43 H new ATOM 0 HD12 LEU A 35 -4.315 1.772 -0.078 1.00 55.43 H new ATOM 0 HD13 LEU A 35 -5.169 0.215 0.033 1.00 55.43 H new ATOM 0 HD21 LEU A 35 -7.537 1.298 1.709 1.00 13.44 H new ATOM 0 HD22 LEU A 35 -6.683 -0.216 2.091 1.00 13.44 H new ATOM 0 HD23 LEU A 35 -6.822 1.062 3.322 1.00 13.44 H new ATOM 589 N GLU A 36 -3.224 -0.501 5.650 1.00 31.12 N ATOM 590 CA GLU A 36 -2.119 -1.186 6.332 1.00 74.41 C ATOM 591 C GLU A 36 -2.261 -2.714 6.273 1.00 14.02 C ATOM 592 O GLU A 36 -3.363 -3.249 6.136 1.00 64.54 O ATOM 593 CB GLU A 36 -2.008 -0.727 7.793 1.00 53.30 C ATOM 594 CG GLU A 36 -3.225 -1.052 8.648 1.00 13.34 C ATOM 595 CD GLU A 36 -2.974 -0.801 10.126 1.00 53.00 C ATOM 596 OE1 GLU A 36 -2.354 -1.662 10.784 1.00 34.22 O ATOM 597 OE2 GLU A 36 -3.377 0.265 10.641 1.00 1.21 O ATOM 0 H GLU A 36 -4.153 -0.762 5.980 1.00 31.12 H new ATOM 0 HA GLU A 36 -1.206 -0.915 5.802 1.00 74.41 H new ATOM 0 HB2 GLU A 36 -1.130 -1.191 8.241 1.00 53.30 H new ATOM 0 HB3 GLU A 36 -1.843 0.350 7.811 1.00 53.30 H new ATOM 0 HG2 GLU A 36 -4.070 -0.448 8.317 1.00 13.34 H new ATOM 0 HG3 GLU A 36 -3.502 -2.096 8.501 1.00 13.34 H new ATOM 604 N CYS A 37 -1.129 -3.404 6.388 1.00 32.13 N ATOM 605 CA CYS A 37 -1.089 -4.868 6.320 1.00 41.14 C ATOM 606 C CYS A 37 0.117 -5.433 7.080 1.00 41.31 C ATOM 607 O CYS A 37 1.080 -4.720 7.362 1.00 23.41 O ATOM 608 CB CYS A 37 -1.037 -5.330 4.859 1.00 72.44 C ATOM 609 SG CYS A 37 0.331 -4.633 3.900 1.00 64.45 S ATOM 0 H CYS A 37 -0.217 -2.970 6.530 1.00 32.13 H new ATOM 0 HA CYS A 37 -1.997 -5.244 6.791 1.00 41.14 H new ATOM 0 HB2 CYS A 37 -0.962 -6.417 4.837 1.00 72.44 H new ATOM 0 HB3 CYS A 37 -1.976 -5.065 4.374 1.00 72.44 H new ATOM 0 HG CYS A 37 0.167 -4.915 2.642 1.00 64.45 H new ATOM 615 N GLN A 38 0.059 -6.724 7.404 1.00 11.24 N ATOM 616 CA GLN A 38 1.159 -7.405 8.102 1.00 2.35 C ATOM 617 C GLN A 38 1.871 -8.385 7.163 1.00 45.21 C ATOM 618 O GLN A 38 1.300 -9.403 6.768 1.00 53.55 O ATOM 619 CB GLN A 38 0.639 -8.164 9.335 1.00 43.03 C ATOM 620 CG GLN A 38 -0.063 -7.283 10.361 1.00 54.23 C ATOM 621 CD GLN A 38 0.838 -6.222 10.977 1.00 0.41 C ATOM 622 OE1 GLN A 38 0.382 -5.141 11.335 1.00 64.20 O ATOM 623 NE2 GLN A 38 2.118 -6.519 11.122 1.00 73.15 N ATOM 0 H GLN A 38 -0.739 -7.324 7.195 1.00 11.24 H new ATOM 0 HA GLN A 38 1.867 -6.643 8.428 1.00 2.35 H new ATOM 0 HB2 GLN A 38 -0.052 -8.940 9.005 1.00 43.03 H new ATOM 0 HB3 GLN A 38 1.477 -8.668 9.818 1.00 43.03 H new ATOM 0 HG2 GLN A 38 -0.913 -6.793 9.885 1.00 54.23 H new ATOM 0 HG3 GLN A 38 -0.462 -7.914 11.155 1.00 54.23 H new ATOM 0 HE21 GLN A 38 2.469 -7.426 10.815 1.00 73.15 H new ATOM 0 HE22 GLN A 38 2.755 -5.841 11.541 1.00 73.15 H new ATOM 632 N ILE A 39 3.110 -8.063 6.799 1.00 24.01 N ATOM 633 CA ILE A 39 3.923 -8.920 5.929 1.00 70.12 C ATOM 634 C ILE A 39 5.128 -9.487 6.697 1.00 73.30 C ATOM 635 O ILE A 39 5.992 -8.736 7.145 1.00 4.44 O ATOM 636 CB ILE A 39 4.446 -8.133 4.697 1.00 23.21 C ATOM 637 CG1 ILE A 39 3.280 -7.492 3.924 1.00 51.33 C ATOM 638 CG2 ILE A 39 5.266 -9.047 3.781 1.00 50.41 C ATOM 639 CD1 ILE A 39 3.718 -6.630 2.754 1.00 15.44 C ATOM 0 H ILE A 39 3.579 -7.207 7.095 1.00 24.01 H new ATOM 0 HA ILE A 39 3.283 -9.735 5.591 1.00 70.12 H new ATOM 0 HB ILE A 39 5.096 -7.334 5.054 1.00 23.21 H new ATOM 0 HG12 ILE A 39 2.624 -8.281 3.556 1.00 51.33 H new ATOM 0 HG13 ILE A 39 2.692 -6.883 4.611 1.00 51.33 H new ATOM 0 HG21 ILE A 39 5.623 -8.477 2.924 1.00 50.41 H new ATOM 0 HG22 ILE A 39 6.118 -9.445 4.332 1.00 50.41 H new ATOM 0 HG23 ILE A 39 4.641 -9.870 3.434 1.00 50.41 H new ATOM 0 HD11 ILE A 39 2.840 -6.214 2.260 1.00 15.44 H new ATOM 0 HD12 ILE A 39 4.349 -5.819 3.116 1.00 15.44 H new ATOM 0 HD13 ILE A 39 4.280 -7.238 2.045 1.00 15.44 H new ATOM 651 N SER A 40 5.195 -10.811 6.839 1.00 62.31 N ATOM 652 CA SER A 40 6.319 -11.439 7.554 1.00 24.22 C ATOM 653 C SER A 40 7.432 -11.845 6.580 1.00 25.20 C ATOM 654 O SER A 40 7.330 -12.856 5.885 1.00 64.43 O ATOM 655 CB SER A 40 5.839 -12.674 8.336 1.00 41.44 C ATOM 656 OG SER A 40 6.910 -13.297 9.033 1.00 61.44 O ATOM 0 H SER A 40 4.500 -11.464 6.477 1.00 62.31 H new ATOM 0 HA SER A 40 6.719 -10.706 8.254 1.00 24.22 H new ATOM 0 HB2 SER A 40 5.065 -12.379 9.044 1.00 41.44 H new ATOM 0 HB3 SER A 40 5.386 -13.388 7.648 1.00 41.44 H new ATOM 0 HG SER A 40 6.573 -14.077 9.521 1.00 61.44 H new ATOM 662 N ALA A 41 8.479 -11.023 6.515 1.00 64.34 N ATOM 663 CA ALA A 41 9.653 -11.303 5.679 1.00 70.25 C ATOM 664 C ALA A 41 10.964 -11.048 6.441 1.00 21.30 C ATOM 665 O ALA A 41 11.041 -10.142 7.268 1.00 32.23 O ATOM 666 CB ALA A 41 9.610 -10.458 4.414 1.00 35.35 C ATOM 0 H ALA A 41 8.541 -10.148 7.036 1.00 64.34 H new ATOM 0 HA ALA A 41 9.624 -12.358 5.408 1.00 70.25 H new ATOM 0 HB1 ALA A 41 10.486 -10.674 3.802 1.00 35.35 H new ATOM 0 HB2 ALA A 41 8.707 -10.692 3.851 1.00 35.35 H new ATOM 0 HB3 ALA A 41 9.607 -9.401 4.682 1.00 35.35 H new ATOM 672 N ILE A 42 11.993 -11.842 6.150 1.00 65.04 N ATOM 673 CA ILE A 42 13.323 -11.644 6.748 1.00 40.34 C ATOM 674 C ILE A 42 14.428 -11.910 5.702 1.00 13.45 C ATOM 675 O ILE A 42 14.528 -13.020 5.176 1.00 54.42 O ATOM 676 CB ILE A 42 13.553 -12.574 7.974 1.00 2.21 C ATOM 677 CG1 ILE A 42 12.433 -12.405 9.019 1.00 55.44 C ATOM 678 CG2 ILE A 42 14.917 -12.294 8.605 1.00 71.43 C ATOM 679 CD1 ILE A 42 12.529 -13.365 10.187 1.00 20.21 C ATOM 0 H ILE A 42 11.937 -12.630 5.505 1.00 65.04 H new ATOM 0 HA ILE A 42 13.369 -10.609 7.086 1.00 40.34 H new ATOM 0 HB ILE A 42 13.533 -13.606 7.623 1.00 2.21 H new ATOM 0 HG12 ILE A 42 12.456 -11.384 9.399 1.00 55.44 H new ATOM 0 HG13 ILE A 42 11.469 -12.541 8.529 1.00 55.44 H new ATOM 0 HG21 ILE A 42 15.064 -12.952 9.461 1.00 71.43 H new ATOM 0 HG22 ILE A 42 15.702 -12.474 7.870 1.00 71.43 H new ATOM 0 HG23 ILE A 42 14.959 -11.256 8.934 1.00 71.43 H new ATOM 0 HD11 ILE A 42 11.705 -13.182 10.877 1.00 20.21 H new ATOM 0 HD12 ILE A 42 12.474 -14.390 9.821 1.00 20.21 H new ATOM 0 HD13 ILE A 42 13.476 -13.215 10.705 1.00 20.21 H new ATOM 691 N PRO A 43 15.262 -10.906 5.358 1.00 62.12 N ATOM 692 CA PRO A 43 15.181 -9.529 5.894 1.00 35.23 C ATOM 693 C PRO A 43 14.013 -8.714 5.287 1.00 23.41 C ATOM 694 O PRO A 43 13.320 -9.195 4.387 1.00 74.55 O ATOM 695 CB PRO A 43 16.546 -8.912 5.492 1.00 11.02 C ATOM 696 CG PRO A 43 17.362 -10.040 4.939 1.00 33.32 C ATOM 697 CD PRO A 43 16.375 -11.038 4.411 1.00 35.31 C ATOM 0 HA PRO A 43 14.990 -9.522 6.967 1.00 35.23 H new ATOM 0 HB2 PRO A 43 16.415 -8.125 4.750 1.00 11.02 H new ATOM 0 HB3 PRO A 43 17.038 -8.460 6.353 1.00 11.02 H new ATOM 0 HG2 PRO A 43 18.026 -9.691 4.148 1.00 33.32 H new ATOM 0 HG3 PRO A 43 17.991 -10.483 5.711 1.00 33.32 H new ATOM 0 HD2 PRO A 43 16.070 -10.808 3.390 1.00 35.31 H new ATOM 0 HD3 PRO A 43 16.784 -12.048 4.401 1.00 35.31 H new ATOM 705 N PRO A 44 13.763 -7.475 5.787 1.00 22.23 N ATOM 706 CA PRO A 44 12.717 -6.592 5.233 1.00 5.23 C ATOM 707 C PRO A 44 12.755 -6.496 3.692 1.00 11.43 C ATOM 708 O PRO A 44 13.799 -6.203 3.103 1.00 35.32 O ATOM 709 CB PRO A 44 13.044 -5.234 5.868 1.00 11.42 C ATOM 710 CG PRO A 44 13.667 -5.580 7.176 1.00 51.01 C ATOM 711 CD PRO A 44 14.452 -6.846 6.939 1.00 43.23 C ATOM 0 HA PRO A 44 11.716 -6.962 5.454 1.00 5.23 H new ATOM 0 HB2 PRO A 44 13.725 -4.656 5.243 1.00 11.42 H new ATOM 0 HB3 PRO A 44 12.146 -4.631 6.002 1.00 11.42 H new ATOM 0 HG2 PRO A 44 14.317 -4.777 7.523 1.00 51.01 H new ATOM 0 HG3 PRO A 44 12.907 -5.730 7.943 1.00 51.01 H new ATOM 0 HD2 PRO A 44 15.497 -6.633 6.713 1.00 43.23 H new ATOM 0 HD3 PRO A 44 14.441 -7.494 7.815 1.00 43.23 H new ATOM 719 N PRO A 45 11.607 -6.725 3.022 1.00 22.15 N ATOM 720 CA PRO A 45 11.530 -6.751 1.555 1.00 52.05 C ATOM 721 C PRO A 45 11.301 -5.367 0.922 1.00 55.21 C ATOM 722 O PRO A 45 10.951 -4.402 1.607 1.00 40.51 O ATOM 723 CB PRO A 45 10.316 -7.652 1.320 1.00 20.55 C ATOM 724 CG PRO A 45 9.401 -7.333 2.456 1.00 35.05 C ATOM 725 CD PRO A 45 10.287 -6.988 3.635 1.00 63.01 C ATOM 0 HA PRO A 45 12.460 -7.094 1.102 1.00 52.05 H new ATOM 0 HB2 PRO A 45 9.846 -7.445 0.359 1.00 20.55 H new ATOM 0 HB3 PRO A 45 10.596 -8.705 1.317 1.00 20.55 H new ATOM 0 HG2 PRO A 45 8.746 -6.498 2.205 1.00 35.05 H new ATOM 0 HG3 PRO A 45 8.759 -8.183 2.688 1.00 35.05 H new ATOM 0 HD2 PRO A 45 9.915 -6.116 4.173 1.00 63.01 H new ATOM 0 HD3 PRO A 45 10.335 -7.808 4.352 1.00 63.01 H new ATOM 733 N LYS A 46 11.507 -5.282 -0.392 1.00 30.20 N ATOM 734 CA LYS A 46 11.227 -4.058 -1.144 1.00 23.03 C ATOM 735 C LYS A 46 9.734 -3.986 -1.514 1.00 21.42 C ATOM 736 O LYS A 46 9.197 -4.906 -2.132 1.00 51.15 O ATOM 737 CB LYS A 46 12.092 -4.005 -2.412 1.00 53.23 C ATOM 738 CG LYS A 46 11.942 -2.718 -3.217 1.00 31.33 C ATOM 739 CD LYS A 46 12.332 -1.485 -2.405 1.00 44.20 C ATOM 740 CE LYS A 46 12.227 -0.211 -3.233 1.00 21.12 C ATOM 741 NZ LYS A 46 12.618 0.991 -2.450 1.00 74.04 N ATOM 0 H LYS A 46 11.868 -6.049 -0.960 1.00 30.20 H new ATOM 0 HA LYS A 46 11.471 -3.200 -0.517 1.00 23.03 H new ATOM 0 HB2 LYS A 46 13.138 -4.124 -2.130 1.00 53.23 H new ATOM 0 HB3 LYS A 46 11.835 -4.851 -3.049 1.00 53.23 H new ATOM 0 HG2 LYS A 46 12.564 -2.775 -4.110 1.00 31.33 H new ATOM 0 HG3 LYS A 46 10.910 -2.619 -3.553 1.00 31.33 H new ATOM 0 HD2 LYS A 46 11.686 -1.405 -1.531 1.00 44.20 H new ATOM 0 HD3 LYS A 46 13.352 -1.598 -2.038 1.00 44.20 H new ATOM 0 HE2 LYS A 46 12.866 -0.295 -4.112 1.00 21.12 H new ATOM 0 HE3 LYS A 46 11.204 -0.094 -3.592 1.00 21.12 H new ATOM 0 HZ1 LYS A 46 12.533 1.838 -3.048 1.00 74.04 H new ATOM 0 HZ2 LYS A 46 11.993 1.086 -1.625 1.00 74.04 H new ATOM 0 HZ3 LYS A 46 13.602 0.891 -2.129 1.00 74.04 H new ATOM 755 N LEU A 47 9.071 -2.900 -1.123 1.00 30.24 N ATOM 756 CA LEU A 47 7.629 -2.744 -1.351 1.00 4.11 C ATOM 757 C LEU A 47 7.334 -1.930 -2.620 1.00 72.50 C ATOM 758 O LEU A 47 7.923 -0.870 -2.848 1.00 74.14 O ATOM 759 CB LEU A 47 6.981 -2.057 -0.141 1.00 44.42 C ATOM 760 CG LEU A 47 7.210 -2.754 1.211 1.00 15.11 C ATOM 761 CD1 LEU A 47 6.598 -1.938 2.343 1.00 51.45 C ATOM 762 CD2 LEU A 47 6.637 -4.170 1.201 1.00 32.13 C ATOM 0 H LEU A 47 9.507 -2.111 -0.645 1.00 30.24 H new ATOM 0 HA LEU A 47 7.208 -3.740 -1.485 1.00 4.11 H new ATOM 0 HB2 LEU A 47 7.363 -1.038 -0.075 1.00 44.42 H new ATOM 0 HB3 LEU A 47 5.908 -1.985 -0.317 1.00 44.42 H new ATOM 0 HG LEU A 47 8.285 -2.826 1.377 1.00 15.11 H new ATOM 0 HD11 LEU A 47 6.770 -2.446 3.292 1.00 51.45 H new ATOM 0 HD12 LEU A 47 7.060 -0.951 2.371 1.00 51.45 H new ATOM 0 HD13 LEU A 47 5.526 -1.832 2.177 1.00 51.45 H new ATOM 0 HD21 LEU A 47 6.812 -4.640 2.169 1.00 32.13 H new ATOM 0 HD22 LEU A 47 5.565 -4.127 1.007 1.00 32.13 H new ATOM 0 HD23 LEU A 47 7.124 -4.754 0.420 1.00 32.13 H new ATOM 774 N PHE A 48 6.415 -2.436 -3.440 1.00 44.31 N ATOM 775 CA PHE A 48 5.968 -1.739 -4.654 1.00 12.55 C ATOM 776 C PHE A 48 4.447 -1.529 -4.638 1.00 55.23 C ATOM 777 O PHE A 48 3.683 -2.489 -4.567 1.00 61.34 O ATOM 778 CB PHE A 48 6.361 -2.539 -5.906 1.00 44.25 C ATOM 779 CG PHE A 48 7.849 -2.689 -6.099 1.00 5.32 C ATOM 780 CD1 PHE A 48 8.582 -1.701 -6.742 1.00 54.45 C ATOM 781 CD2 PHE A 48 8.513 -3.820 -5.644 1.00 41.44 C ATOM 782 CE1 PHE A 48 9.945 -1.839 -6.924 1.00 4.22 C ATOM 783 CE2 PHE A 48 9.874 -3.960 -5.824 1.00 21.14 C ATOM 784 CZ PHE A 48 10.591 -2.970 -6.464 1.00 53.31 C ATOM 0 H PHE A 48 5.959 -3.335 -3.287 1.00 44.31 H new ATOM 0 HA PHE A 48 6.457 -0.765 -4.679 1.00 12.55 H new ATOM 0 HB2 PHE A 48 5.911 -3.530 -5.847 1.00 44.25 H new ATOM 0 HB3 PHE A 48 5.939 -2.050 -6.784 1.00 44.25 H new ATOM 0 HD1 PHE A 48 8.082 -0.815 -7.104 1.00 54.45 H new ATOM 0 HD2 PHE A 48 7.958 -4.599 -5.143 1.00 41.44 H new ATOM 0 HE1 PHE A 48 10.505 -1.063 -7.425 1.00 4.22 H new ATOM 0 HE2 PHE A 48 10.378 -4.845 -5.464 1.00 21.14 H new ATOM 0 HZ PHE A 48 11.656 -3.079 -6.605 1.00 53.31 H new ATOM 794 N TRP A 49 4.018 -0.269 -4.692 1.00 11.15 N ATOM 795 CA TRP A 49 2.588 0.066 -4.787 1.00 53.12 C ATOM 796 C TRP A 49 2.262 0.665 -6.160 1.00 52.10 C ATOM 797 O TRP A 49 2.858 1.664 -6.572 1.00 10.34 O ATOM 798 CB TRP A 49 2.179 1.054 -3.683 1.00 51.14 C ATOM 799 CG TRP A 49 2.173 0.462 -2.303 1.00 2.12 C ATOM 800 CD1 TRP A 49 3.254 0.229 -1.502 1.00 53.15 C ATOM 801 CD2 TRP A 49 1.022 0.034 -1.563 1.00 54.30 C ATOM 802 NE1 TRP A 49 2.846 -0.317 -0.309 1.00 64.12 N ATOM 803 CE2 TRP A 49 1.479 -0.447 -0.322 1.00 13.25 C ATOM 804 CE3 TRP A 49 -0.351 0.010 -1.831 1.00 73.03 C ATOM 805 CZ2 TRP A 49 0.609 -0.944 0.650 1.00 64.24 C ATOM 806 CZ3 TRP A 49 -1.212 -0.482 -0.869 1.00 72.10 C ATOM 807 CH2 TRP A 49 -0.730 -0.954 0.360 1.00 74.43 C ATOM 0 H TRP A 49 4.637 0.541 -4.672 1.00 11.15 H new ATOM 0 HA TRP A 49 2.023 -0.857 -4.658 1.00 53.12 H new ATOM 0 HB2 TRP A 49 2.862 1.904 -3.699 1.00 51.14 H new ATOM 0 HB3 TRP A 49 1.184 1.440 -3.906 1.00 51.14 H new ATOM 0 HD1 TRP A 49 4.279 0.442 -1.767 1.00 53.15 H new ATOM 0 HE1 TRP A 49 3.459 -0.583 0.462 1.00 64.12 H new ATOM 0 HE3 TRP A 49 -0.732 0.370 -2.775 1.00 73.03 H new ATOM 0 HZ2 TRP A 49 0.978 -1.308 1.597 1.00 64.24 H new ATOM 0 HZ3 TRP A 49 -2.273 -0.503 -1.067 1.00 72.10 H new ATOM 0 HH2 TRP A 49 -1.428 -1.333 1.092 1.00 74.43 H new ATOM 818 N LYS A 50 1.309 0.056 -6.861 1.00 1.31 N ATOM 819 CA LYS A 50 0.916 0.508 -8.202 1.00 70.04 C ATOM 820 C LYS A 50 -0.585 0.843 -8.261 1.00 62.31 C ATOM 821 O LYS A 50 -1.433 0.023 -7.912 1.00 35.54 O ATOM 822 CB LYS A 50 1.299 -0.587 -9.213 1.00 14.24 C ATOM 823 CG LYS A 50 0.719 -0.432 -10.615 1.00 11.31 C ATOM 824 CD LYS A 50 1.274 -1.509 -11.550 1.00 53.33 C ATOM 825 CE LYS A 50 0.605 -1.494 -12.919 1.00 51.12 C ATOM 826 NZ LYS A 50 -0.808 -1.954 -12.858 1.00 73.54 N ATOM 0 H LYS A 50 0.790 -0.755 -6.525 1.00 1.31 H new ATOM 0 HA LYS A 50 1.443 1.429 -8.452 1.00 70.04 H new ATOM 0 HB2 LYS A 50 2.386 -0.618 -9.292 1.00 14.24 H new ATOM 0 HB3 LYS A 50 0.981 -1.550 -8.814 1.00 14.24 H new ATOM 0 HG2 LYS A 50 -0.368 -0.503 -10.575 1.00 11.31 H new ATOM 0 HG3 LYS A 50 0.960 0.556 -11.007 1.00 11.31 H new ATOM 0 HD2 LYS A 50 2.347 -1.362 -11.672 1.00 53.33 H new ATOM 0 HD3 LYS A 50 1.136 -2.489 -11.093 1.00 53.33 H new ATOM 0 HE2 LYS A 50 0.639 -0.484 -13.327 1.00 51.12 H new ATOM 0 HE3 LYS A 50 1.164 -2.133 -13.602 1.00 51.12 H new ATOM 0 HZ1 LYS A 50 -1.187 -2.041 -13.823 1.00 73.54 H new ATOM 0 HZ2 LYS A 50 -0.852 -2.879 -12.384 1.00 73.54 H new ATOM 0 HZ3 LYS A 50 -1.375 -1.264 -12.324 1.00 73.54 H new ATOM 840 N ARG A 51 -0.899 2.052 -8.727 1.00 75.12 N ATOM 841 CA ARG A 51 -2.277 2.562 -8.760 1.00 44.02 C ATOM 842 C ARG A 51 -2.806 2.684 -10.193 1.00 65.25 C ATOM 843 O ARG A 51 -2.329 3.521 -10.951 1.00 44.31 O ATOM 844 CB ARG A 51 -2.327 3.957 -8.124 1.00 40.14 C ATOM 845 CG ARG A 51 -3.716 4.597 -8.144 1.00 5.43 C ATOM 846 CD ARG A 51 -3.657 6.100 -7.894 1.00 32.40 C ATOM 847 NE ARG A 51 -3.156 6.826 -9.061 1.00 43.10 N ATOM 848 CZ ARG A 51 -2.932 8.114 -9.089 1.00 73.44 C ATOM 849 NH1 ARG A 51 -3.047 8.827 -8.014 1.00 60.32 N ATOM 850 NH2 ARG A 51 -2.577 8.677 -10.195 1.00 33.11 N ATOM 0 H ARG A 51 -0.209 2.708 -9.093 1.00 75.12 H new ATOM 0 HA ARG A 51 -2.895 1.853 -8.210 1.00 44.02 H new ATOM 0 HB2 ARG A 51 -1.984 3.888 -7.092 1.00 40.14 H new ATOM 0 HB3 ARG A 51 -1.629 4.610 -8.648 1.00 40.14 H new ATOM 0 HG2 ARG A 51 -4.188 4.408 -9.108 1.00 5.43 H new ATOM 0 HG3 ARG A 51 -4.342 4.128 -7.385 1.00 5.43 H new ATOM 0 HD2 ARG A 51 -4.652 6.465 -7.638 1.00 32.40 H new ATOM 0 HD3 ARG A 51 -3.014 6.301 -7.037 1.00 32.40 H new ATOM 0 HE ARG A 51 -2.969 6.292 -9.910 1.00 43.10 H new ATOM 0 HH11 ARG A 51 -3.315 8.385 -7.135 1.00 60.32 H new ATOM 0 HH12 ARG A 51 -2.870 9.831 -8.047 1.00 60.32 H new ATOM 0 HH21 ARG A 51 -2.473 8.118 -11.041 1.00 33.11 H new ATOM 0 HH22 ARG A 51 -2.401 9.681 -10.222 1.00 33.11 H new ATOM 864 N ASN A 52 -3.813 1.881 -10.539 1.00 72.41 N ATOM 865 CA ASN A 52 -4.497 1.987 -11.842 1.00 71.02 C ATOM 866 C ASN A 52 -3.491 2.118 -13.008 1.00 51.51 C ATOM 867 O ASN A 52 -3.545 3.069 -13.788 1.00 32.21 O ATOM 868 CB ASN A 52 -5.465 3.186 -11.823 1.00 70.22 C ATOM 869 CG ASN A 52 -6.494 3.142 -12.943 1.00 14.32 C ATOM 870 OD1 ASN A 52 -6.279 2.541 -13.991 1.00 35.00 O ATOM 871 ND2 ASN A 52 -7.624 3.783 -12.732 1.00 33.52 N ATOM 0 H ASN A 52 -4.179 1.144 -9.936 1.00 72.41 H new ATOM 0 HA ASN A 52 -5.061 1.069 -12.006 1.00 71.02 H new ATOM 0 HB2 ASN A 52 -5.982 3.212 -10.864 1.00 70.22 H new ATOM 0 HB3 ASN A 52 -4.891 4.109 -11.901 1.00 70.22 H new ATOM 0 HD21 ASN A 52 -8.349 3.789 -13.450 1.00 33.52 H new ATOM 0 HD22 ASN A 52 -7.775 4.274 -11.851 1.00 33.52 H new ATOM 878 N ASN A 53 -2.558 1.165 -13.091 1.00 42.13 N ATOM 879 CA ASN A 53 -1.530 1.128 -14.153 1.00 32.42 C ATOM 880 C ASN A 53 -0.420 2.190 -13.967 1.00 4.24 C ATOM 881 O ASN A 53 0.510 2.268 -14.774 1.00 4.13 O ATOM 882 CB ASN A 53 -2.168 1.264 -15.544 1.00 73.10 C ATOM 883 CG ASN A 53 -3.140 0.135 -15.849 1.00 62.41 C ATOM 884 OD1 ASN A 53 -2.988 -0.983 -15.365 1.00 51.53 O ATOM 885 ND2 ASN A 53 -4.145 0.414 -16.654 1.00 12.41 N ATOM 0 H ASN A 53 -2.488 0.394 -12.427 1.00 42.13 H new ATOM 0 HA ASN A 53 -1.050 0.153 -14.071 1.00 32.42 H new ATOM 0 HB2 ASN A 53 -2.691 2.218 -15.609 1.00 73.10 H new ATOM 0 HB3 ASN A 53 -1.384 1.279 -16.301 1.00 73.10 H new ATOM 0 HD21 ASN A 53 -4.824 -0.309 -16.891 1.00 12.41 H new ATOM 0 HD22 ASN A 53 -4.244 1.353 -17.040 1.00 12.41 H new ATOM 892 N GLU A 54 -0.502 2.988 -12.904 1.00 24.34 N ATOM 893 CA GLU A 54 0.530 3.995 -12.597 1.00 51.22 C ATOM 894 C GLU A 54 1.343 3.622 -11.345 1.00 62.02 C ATOM 895 O GLU A 54 0.895 2.844 -10.505 1.00 24.42 O ATOM 896 CB GLU A 54 -0.108 5.372 -12.366 1.00 23.20 C ATOM 897 CG GLU A 54 -0.890 5.921 -13.552 1.00 1.44 C ATOM 898 CD GLU A 54 -1.424 7.322 -13.287 1.00 10.40 C ATOM 899 OE1 GLU A 54 -2.508 7.451 -12.681 1.00 21.21 O ATOM 900 OE2 GLU A 54 -0.746 8.304 -13.664 1.00 12.22 O ATOM 0 H GLU A 54 -1.272 2.962 -12.235 1.00 24.34 H new ATOM 0 HA GLU A 54 1.198 4.027 -13.457 1.00 51.22 H new ATOM 0 HB2 GLU A 54 -0.776 5.308 -11.507 1.00 23.20 H new ATOM 0 HB3 GLU A 54 0.678 6.082 -12.107 1.00 23.20 H new ATOM 0 HG2 GLU A 54 -0.247 5.939 -14.432 1.00 1.44 H new ATOM 0 HG3 GLU A 54 -1.721 5.253 -13.778 1.00 1.44 H new ATOM 907 N MET A 55 2.541 4.185 -11.235 1.00 74.15 N ATOM 908 CA MET A 55 3.350 4.070 -10.015 1.00 14.45 C ATOM 909 C MET A 55 2.881 5.089 -8.955 1.00 23.21 C ATOM 910 O MET A 55 2.609 6.246 -9.276 1.00 2.35 O ATOM 911 CB MET A 55 4.833 4.314 -10.348 1.00 3.43 C ATOM 912 CG MET A 55 5.781 4.202 -9.154 1.00 74.01 C ATOM 913 SD MET A 55 6.562 2.576 -9.011 1.00 40.34 S ATOM 914 CE MET A 55 5.150 1.494 -8.765 1.00 21.12 C ATOM 0 H MET A 55 2.980 4.730 -11.977 1.00 74.15 H new ATOM 0 HA MET A 55 3.228 3.065 -9.611 1.00 14.45 H new ATOM 0 HB2 MET A 55 5.143 3.598 -11.110 1.00 3.43 H new ATOM 0 HB3 MET A 55 4.935 5.308 -10.784 1.00 3.43 H new ATOM 0 HG2 MET A 55 6.556 4.963 -9.242 1.00 74.01 H new ATOM 0 HG3 MET A 55 5.228 4.414 -8.239 1.00 74.01 H new ATOM 0 HE1 MET A 55 5.457 0.619 -8.192 1.00 21.12 H new ATOM 0 HE2 MET A 55 4.372 2.029 -8.221 1.00 21.12 H new ATOM 0 HE3 MET A 55 4.763 1.176 -9.733 1.00 21.12 H new ATOM 924 N VAL A 56 2.783 4.659 -7.697 1.00 22.14 N ATOM 925 CA VAL A 56 2.391 5.563 -6.605 1.00 31.24 C ATOM 926 C VAL A 56 3.580 6.419 -6.132 1.00 55.42 C ATOM 927 O VAL A 56 4.647 5.895 -5.794 1.00 31.05 O ATOM 928 CB VAL A 56 1.809 4.777 -5.401 1.00 64.51 C ATOM 929 CG1 VAL A 56 1.387 5.727 -4.280 1.00 33.14 C ATOM 930 CG2 VAL A 56 0.633 3.908 -5.848 1.00 12.12 C ATOM 0 H VAL A 56 2.967 3.699 -7.406 1.00 22.14 H new ATOM 0 HA VAL A 56 1.618 6.221 -7.002 1.00 31.24 H new ATOM 0 HB VAL A 56 2.590 4.125 -5.010 1.00 64.51 H new ATOM 0 HG11 VAL A 56 0.982 5.151 -3.448 1.00 33.14 H new ATOM 0 HG12 VAL A 56 2.252 6.296 -3.940 1.00 33.14 H new ATOM 0 HG13 VAL A 56 0.625 6.412 -4.651 1.00 33.14 H new ATOM 0 HG21 VAL A 56 0.237 3.363 -4.991 1.00 12.12 H new ATOM 0 HG22 VAL A 56 -0.148 4.541 -6.268 1.00 12.12 H new ATOM 0 HG23 VAL A 56 0.971 3.199 -6.604 1.00 12.12 H new ATOM 940 N GLN A 57 3.389 7.739 -6.111 1.00 54.51 N ATOM 941 CA GLN A 57 4.450 8.675 -5.724 1.00 70.54 C ATOM 942 C GLN A 57 4.462 8.910 -4.207 1.00 54.03 C ATOM 943 O GLN A 57 3.533 9.494 -3.660 1.00 72.44 O ATOM 944 CB GLN A 57 4.252 10.023 -6.435 1.00 50.31 C ATOM 945 CG GLN A 57 4.206 9.927 -7.956 1.00 60.44 C ATOM 946 CD GLN A 57 3.934 11.265 -8.628 1.00 74.15 C ATOM 947 OE1 GLN A 57 3.150 12.117 -7.993 1.00 53.24 O flip ATOM 948 NE2 GLN A 57 4.411 11.527 -9.727 1.00 23.44 N flip ATOM 0 H GLN A 57 2.507 8.187 -6.358 1.00 54.51 H new ATOM 0 HA GLN A 57 5.402 8.233 -6.019 1.00 70.54 H new ATOM 0 HB2 GLN A 57 3.324 10.474 -6.082 1.00 50.31 H new ATOM 0 HB3 GLN A 57 5.062 10.694 -6.149 1.00 50.31 H new ATOM 0 HG2 GLN A 57 5.155 9.531 -8.318 1.00 60.44 H new ATOM 0 HG3 GLN A 57 3.432 9.217 -8.247 1.00 60.44 H new ATOM 0 HE21 GLN A 57 5.014 10.851 -10.196 1.00 23.44 H new ATOM 0 HE22 GLN A 57 4.205 12.421 -10.172 1.00 23.44 H new ATOM 957 N PHE A 58 5.529 8.490 -3.539 1.00 41.22 N ATOM 958 CA PHE A 58 5.663 8.708 -2.091 1.00 74.35 C ATOM 959 C PHE A 58 6.465 9.987 -1.799 1.00 4.13 C ATOM 960 O PHE A 58 6.679 10.353 -0.644 1.00 62.15 O ATOM 961 CB PHE A 58 6.341 7.498 -1.436 1.00 24.12 C ATOM 962 CG PHE A 58 5.694 6.183 -1.794 1.00 42.10 C ATOM 963 CD1 PHE A 58 4.372 5.928 -1.454 1.00 10.15 C ATOM 964 CD2 PHE A 58 6.406 5.202 -2.470 1.00 51.40 C ATOM 965 CE1 PHE A 58 3.777 4.723 -1.784 1.00 14.22 C ATOM 966 CE2 PHE A 58 5.816 3.997 -2.801 1.00 20.01 C ATOM 967 CZ PHE A 58 4.501 3.759 -2.459 1.00 52.31 C ATOM 0 H PHE A 58 6.314 7.999 -3.967 1.00 41.22 H new ATOM 0 HA PHE A 58 4.665 8.828 -1.670 1.00 74.35 H new ATOM 0 HB2 PHE A 58 7.389 7.472 -1.735 1.00 24.12 H new ATOM 0 HB3 PHE A 58 6.321 7.622 -0.353 1.00 24.12 H new ATOM 0 HD1 PHE A 58 3.802 6.678 -0.926 1.00 10.15 H new ATOM 0 HD2 PHE A 58 7.436 5.383 -2.741 1.00 51.40 H new ATOM 0 HE1 PHE A 58 2.748 4.536 -1.514 1.00 14.22 H new ATOM 0 HE2 PHE A 58 6.383 3.243 -3.326 1.00 20.01 H new ATOM 0 HZ PHE A 58 4.037 2.819 -2.719 1.00 52.31 H new ATOM 977 N ASN A 59 6.892 10.663 -2.864 1.00 61.11 N ATOM 978 CA ASN A 59 7.711 11.878 -2.757 1.00 51.30 C ATOM 979 C ASN A 59 6.854 13.155 -2.654 1.00 0.00 C ATOM 980 O ASN A 59 7.378 14.270 -2.681 1.00 13.03 O ATOM 981 CB ASN A 59 8.642 11.963 -3.970 1.00 75.12 C ATOM 982 CG ASN A 59 7.876 11.924 -5.281 1.00 14.42 C ATOM 983 OD1 ASN A 59 7.559 10.858 -5.795 1.00 21.20 O ATOM 984 ND2 ASN A 59 7.580 13.083 -5.838 1.00 10.33 N ATOM 0 H ASN A 59 6.683 10.389 -3.824 1.00 61.11 H new ATOM 0 HA ASN A 59 8.293 11.812 -1.838 1.00 51.30 H new ATOM 0 HB2 ASN A 59 9.223 12.884 -3.917 1.00 75.12 H new ATOM 0 HB3 ASN A 59 9.352 11.136 -3.940 1.00 75.12 H new ATOM 0 HD21 ASN A 59 7.073 13.109 -6.723 1.00 10.33 H new ATOM 0 HD22 ASN A 59 7.858 13.953 -5.384 1.00 10.33 H new ATOM 991 N THR A 60 5.540 12.985 -2.544 1.00 63.24 N ATOM 992 CA THR A 60 4.615 14.119 -2.389 1.00 1.32 C ATOM 993 C THR A 60 4.064 14.199 -0.959 1.00 51.13 C ATOM 994 O THR A 60 4.032 13.201 -0.241 1.00 44.14 O ATOM 995 CB THR A 60 3.439 14.040 -3.392 1.00 53.03 C ATOM 996 OG1 THR A 60 2.439 15.017 -3.066 1.00 20.43 O ATOM 997 CG2 THR A 60 2.811 12.655 -3.405 1.00 51.02 C ATOM 0 H THR A 60 5.084 12.073 -2.559 1.00 63.24 H new ATOM 0 HA THR A 60 5.190 15.021 -2.598 1.00 1.32 H new ATOM 0 HB THR A 60 3.840 14.245 -4.385 1.00 53.03 H new ATOM 0 HG1 THR A 60 1.702 14.958 -3.709 1.00 20.43 H new ATOM 0 HG21 THR A 60 1.989 12.635 -4.120 1.00 51.02 H new ATOM 0 HG22 THR A 60 3.561 11.918 -3.694 1.00 51.02 H new ATOM 0 HG23 THR A 60 2.433 12.418 -2.411 1.00 51.02 H new ATOM 1005 N ASP A 61 3.615 15.381 -0.553 1.00 33.31 N ATOM 1006 CA ASP A 61 3.183 15.612 0.829 1.00 1.10 C ATOM 1007 C ASP A 61 1.871 14.881 1.161 1.00 71.24 C ATOM 1008 O ASP A 61 1.662 14.455 2.300 1.00 20.21 O ATOM 1009 CB ASP A 61 3.022 17.117 1.081 1.00 41.34 C ATOM 1010 CG ASP A 61 2.655 17.431 2.523 1.00 34.51 C ATOM 1011 OD1 ASP A 61 3.492 17.184 3.416 1.00 62.45 O ATOM 1012 OD2 ASP A 61 1.534 17.929 2.773 1.00 32.31 O ATOM 0 H ASP A 61 3.539 16.198 -1.159 1.00 33.31 H new ATOM 0 HA ASP A 61 3.955 15.207 1.484 1.00 1.10 H new ATOM 0 HB2 ASP A 61 3.952 17.626 0.827 1.00 41.34 H new ATOM 0 HB3 ASP A 61 2.251 17.512 0.419 1.00 41.34 H new ATOM 1017 N ARG A 62 1.000 14.719 0.169 1.00 31.52 N ATOM 1018 CA ARG A 62 -0.318 14.111 0.401 1.00 1.34 C ATOM 1019 C ARG A 62 -0.282 12.575 0.296 1.00 21.41 C ATOM 1020 O ARG A 62 -1.237 11.903 0.678 1.00 21.21 O ATOM 1021 CB ARG A 62 -1.354 14.693 -0.571 1.00 72.11 C ATOM 1022 CG ARG A 62 -1.430 16.217 -0.528 1.00 71.13 C ATOM 1023 CD ARG A 62 -2.656 16.758 -1.260 1.00 54.44 C ATOM 1024 NE ARG A 62 -2.799 16.200 -2.604 1.00 64.14 N ATOM 1025 CZ ARG A 62 -2.637 16.876 -3.708 1.00 43.32 C ATOM 1026 NH1 ARG A 62 -2.244 18.113 -3.683 1.00 72.05 N ATOM 1027 NH2 ARG A 62 -2.860 16.302 -4.844 1.00 14.21 N ATOM 0 H ARG A 62 1.175 14.996 -0.797 1.00 31.52 H new ATOM 0 HA ARG A 62 -0.610 14.354 1.423 1.00 1.34 H new ATOM 0 HB2 ARG A 62 -1.109 14.376 -1.585 1.00 72.11 H new ATOM 0 HB3 ARG A 62 -2.335 14.280 -0.336 1.00 72.11 H new ATOM 0 HG2 ARG A 62 -1.454 16.548 0.510 1.00 71.13 H new ATOM 0 HG3 ARG A 62 -0.529 16.636 -0.975 1.00 71.13 H new ATOM 0 HD2 ARG A 62 -3.550 16.532 -0.680 1.00 54.44 H new ATOM 0 HD3 ARG A 62 -2.585 17.844 -1.327 1.00 54.44 H new ATOM 0 HE ARG A 62 -3.043 15.213 -2.684 1.00 64.14 H new ATOM 0 HH11 ARG A 62 -2.057 18.571 -2.791 1.00 72.05 H new ATOM 0 HH12 ARG A 62 -2.122 18.627 -4.555 1.00 72.05 H new ATOM 0 HH21 ARG A 62 -3.160 15.328 -4.873 1.00 14.21 H new ATOM 0 HH22 ARG A 62 -2.736 16.823 -5.712 1.00 14.21 H new ATOM 1041 N ILE A 63 0.818 12.024 -0.220 1.00 44.33 N ATOM 1042 CA ILE A 63 0.983 10.564 -0.318 1.00 4.11 C ATOM 1043 C ILE A 63 2.238 10.114 0.446 1.00 24.41 C ATOM 1044 O ILE A 63 3.339 10.594 0.179 1.00 22.11 O ATOM 1045 CB ILE A 63 1.104 10.097 -1.792 1.00 11.34 C ATOM 1046 CG1 ILE A 63 -0.044 10.665 -2.651 1.00 63.10 C ATOM 1047 CG2 ILE A 63 1.131 8.568 -1.867 1.00 24.01 C ATOM 1048 CD1 ILE A 63 -1.420 10.172 -2.260 1.00 64.44 C ATOM 0 H ILE A 63 1.608 12.561 -0.577 1.00 44.33 H new ATOM 0 HA ILE A 63 0.094 10.112 0.121 1.00 4.11 H new ATOM 0 HB ILE A 63 2.042 10.481 -2.193 1.00 11.34 H new ATOM 0 HG12 ILE A 63 -0.028 11.753 -2.583 1.00 63.10 H new ATOM 0 HG13 ILE A 63 0.138 10.408 -3.695 1.00 63.10 H new ATOM 0 HG21 ILE A 63 1.216 8.256 -2.908 1.00 24.01 H new ATOM 0 HG22 ILE A 63 1.985 8.191 -1.304 1.00 24.01 H new ATOM 0 HG23 ILE A 63 0.211 8.167 -1.442 1.00 24.01 H new ATOM 0 HD11 ILE A 63 -2.167 10.621 -2.915 1.00 64.44 H new ATOM 0 HD12 ILE A 63 -1.459 9.087 -2.356 1.00 64.44 H new ATOM 0 HD13 ILE A 63 -1.627 10.453 -1.227 1.00 64.44 H new ATOM 1060 N SER A 64 2.079 9.178 1.378 1.00 30.00 N ATOM 1061 CA SER A 64 3.203 8.721 2.210 1.00 13.22 C ATOM 1062 C SER A 64 3.094 7.231 2.555 1.00 14.21 C ATOM 1063 O SER A 64 1.997 6.695 2.702 1.00 32.10 O ATOM 1064 CB SER A 64 3.275 9.543 3.505 1.00 71.43 C ATOM 1065 OG SER A 64 2.077 9.424 4.260 1.00 53.33 O ATOM 0 H SER A 64 1.190 8.720 1.580 1.00 30.00 H new ATOM 0 HA SER A 64 4.114 8.866 1.629 1.00 13.22 H new ATOM 0 HB2 SER A 64 4.120 9.207 4.105 1.00 71.43 H new ATOM 0 HB3 SER A 64 3.453 10.591 3.264 1.00 71.43 H new ATOM 0 HG SER A 64 2.285 9.074 5.151 1.00 53.33 H new ATOM 1071 N LEU A 65 4.242 6.573 2.696 1.00 21.43 N ATOM 1072 CA LEU A 65 4.295 5.140 3.023 1.00 61.52 C ATOM 1073 C LEU A 65 5.417 4.841 4.029 1.00 73.41 C ATOM 1074 O LEU A 65 6.528 5.359 3.901 1.00 22.53 O ATOM 1075 CB LEU A 65 4.533 4.320 1.746 1.00 53.13 C ATOM 1076 CG LEU A 65 4.681 2.798 1.948 1.00 34.01 C ATOM 1077 CD1 LEU A 65 3.356 2.171 2.372 1.00 24.24 C ATOM 1078 CD2 LEU A 65 5.209 2.131 0.681 1.00 33.44 C ATOM 0 H LEU A 65 5.158 7.009 2.589 1.00 21.43 H new ATOM 0 HA LEU A 65 3.341 4.864 3.471 1.00 61.52 H new ATOM 0 HB2 LEU A 65 3.704 4.498 1.062 1.00 53.13 H new ATOM 0 HB3 LEU A 65 5.434 4.693 1.259 1.00 53.13 H new ATOM 0 HG LEU A 65 5.404 2.636 2.747 1.00 34.01 H new ATOM 0 HD11 LEU A 65 3.488 1.098 2.508 1.00 24.24 H new ATOM 0 HD12 LEU A 65 3.026 2.617 3.310 1.00 24.24 H new ATOM 0 HD13 LEU A 65 2.606 2.350 1.602 1.00 24.24 H new ATOM 0 HD21 LEU A 65 5.305 1.058 0.848 1.00 33.44 H new ATOM 0 HD22 LEU A 65 4.515 2.310 -0.141 1.00 33.44 H new ATOM 0 HD23 LEU A 65 6.184 2.548 0.430 1.00 33.44 H new ATOM 1090 N TYR A 66 5.132 4.005 5.025 1.00 23.03 N ATOM 1091 CA TYR A 66 6.166 3.557 5.963 1.00 15.15 C ATOM 1092 C TYR A 66 5.970 2.083 6.348 1.00 25.13 C ATOM 1093 O TYR A 66 4.847 1.570 6.358 1.00 72.33 O ATOM 1094 CB TYR A 66 6.200 4.452 7.216 1.00 63.25 C ATOM 1095 CG TYR A 66 5.003 4.322 8.148 1.00 62.42 C ATOM 1096 CD1 TYR A 66 3.848 5.072 7.946 1.00 52.22 C ATOM 1097 CD2 TYR A 66 5.045 3.467 9.247 1.00 71.14 C ATOM 1098 CE1 TYR A 66 2.772 4.968 8.809 1.00 22.00 C ATOM 1099 CE2 TYR A 66 3.976 3.364 10.114 1.00 42.41 C ATOM 1100 CZ TYR A 66 2.841 4.114 9.892 1.00 70.23 C ATOM 1101 OH TYR A 66 1.775 4.017 10.762 1.00 32.53 O ATOM 0 H TYR A 66 4.203 3.625 5.205 1.00 23.03 H new ATOM 0 HA TYR A 66 7.129 3.644 5.459 1.00 15.15 H new ATOM 0 HB2 TYR A 66 7.104 4.223 7.780 1.00 63.25 H new ATOM 0 HB3 TYR A 66 6.278 5.491 6.897 1.00 63.25 H new ATOM 0 HD1 TYR A 66 3.791 5.745 7.103 1.00 52.22 H new ATOM 0 HD2 TYR A 66 5.930 2.874 9.424 1.00 71.14 H new ATOM 0 HE1 TYR A 66 1.881 5.553 8.636 1.00 22.00 H new ATOM 0 HE2 TYR A 66 4.029 2.698 10.963 1.00 42.41 H new ATOM 0 HH TYR A 66 1.987 3.371 11.468 1.00 32.53 H new ATOM 1111 N GLN A 67 7.071 1.402 6.649 1.00 50.33 N ATOM 1112 CA GLN A 67 7.034 -0.016 7.023 1.00 55.33 C ATOM 1113 C GLN A 67 7.816 -0.257 8.326 1.00 62.15 C ATOM 1114 O GLN A 67 8.972 0.151 8.455 1.00 45.50 O ATOM 1115 CB GLN A 67 7.600 -0.872 5.875 1.00 52.31 C ATOM 1116 CG GLN A 67 9.076 -0.611 5.569 1.00 12.52 C ATOM 1117 CD GLN A 67 9.541 -1.246 4.267 1.00 73.42 C ATOM 1118 OE1 GLN A 67 9.524 -0.617 3.216 1.00 32.51 O ATOM 1119 NE2 GLN A 67 9.941 -2.502 4.320 1.00 53.43 N ATOM 0 H GLN A 67 8.007 1.808 6.642 1.00 50.33 H new ATOM 0 HA GLN A 67 5.999 -0.308 7.200 1.00 55.33 H new ATOM 0 HB2 GLN A 67 7.473 -1.925 6.125 1.00 52.31 H new ATOM 0 HB3 GLN A 67 7.015 -0.685 4.974 1.00 52.31 H new ATOM 0 HG2 GLN A 67 9.246 0.465 5.522 1.00 12.52 H new ATOM 0 HG3 GLN A 67 9.683 -0.994 6.389 1.00 12.52 H new ATOM 0 HE21 GLN A 67 9.944 -2.999 5.211 1.00 53.43 H new ATOM 0 HE22 GLN A 67 10.248 -2.976 3.470 1.00 53.43 H new ATOM 1128 N ASP A 68 7.177 -0.903 9.294 1.00 22.41 N ATOM 1129 CA ASP A 68 7.796 -1.154 10.597 1.00 50.45 C ATOM 1130 C ASP A 68 8.625 -2.453 10.580 1.00 14.41 C ATOM 1131 O ASP A 68 8.402 -3.332 9.745 1.00 63.51 O ATOM 1132 CB ASP A 68 6.706 -1.226 11.673 1.00 11.05 C ATOM 1133 CG ASP A 68 7.272 -1.189 13.081 1.00 32.24 C ATOM 1134 OD1 ASP A 68 7.665 -2.253 13.602 1.00 74.11 O ATOM 1135 OD2 ASP A 68 7.324 -0.094 13.676 1.00 43.02 O ATOM 0 H ASP A 68 6.228 -1.265 9.204 1.00 22.41 H new ATOM 0 HA ASP A 68 8.476 -0.333 10.824 1.00 50.45 H new ATOM 0 HB2 ASP A 68 6.015 -0.393 11.541 1.00 11.05 H new ATOM 0 HB3 ASP A 68 6.130 -2.142 11.541 1.00 11.05 H new ATOM 1140 N ASN A 69 9.565 -2.574 11.520 1.00 63.44 N ATOM 1141 CA ASN A 69 10.438 -3.753 11.608 1.00 61.33 C ATOM 1142 C ASN A 69 9.626 -5.046 11.812 1.00 54.21 C ATOM 1143 O ASN A 69 10.056 -6.128 11.419 1.00 61.44 O ATOM 1144 CB ASN A 69 11.446 -3.583 12.754 1.00 75.52 C ATOM 1145 CG ASN A 69 12.523 -4.660 12.761 1.00 74.02 C ATOM 1146 OD1 ASN A 69 12.974 -5.068 11.591 1.00 52.14 O flip ATOM 1147 ND2 ASN A 69 12.976 -5.100 13.815 1.00 55.20 N flip ATOM 0 H ASN A 69 9.744 -1.869 12.235 1.00 63.44 H new ATOM 0 HA ASN A 69 10.974 -3.838 10.663 1.00 61.33 H new ATOM 0 HB2 ASN A 69 11.919 -2.604 12.673 1.00 75.52 H new ATOM 0 HB3 ASN A 69 10.914 -3.602 13.705 1.00 75.52 H new ATOM 0 HD21 ASN A 69 12.609 -4.767 14.706 1.00 55.20 H new ATOM 0 HD22 ASN A 69 13.719 -5.798 13.799 1.00 55.20 H new ATOM 1154 N THR A 70 8.446 -4.924 12.425 1.00 34.05 N ATOM 1155 CA THR A 70 7.559 -6.080 12.652 1.00 52.20 C ATOM 1156 C THR A 70 6.839 -6.516 11.365 1.00 41.43 C ATOM 1157 O THR A 70 6.017 -7.434 11.384 1.00 43.44 O ATOM 1158 CB THR A 70 6.491 -5.778 13.733 1.00 30.24 C ATOM 1159 OG1 THR A 70 5.711 -6.954 14.017 1.00 14.11 O ATOM 1160 CG2 THR A 70 5.558 -4.655 13.288 1.00 4.13 C ATOM 0 H THR A 70 8.078 -4.039 12.775 1.00 34.05 H new ATOM 0 HA THR A 70 8.206 -6.889 12.993 1.00 52.20 H new ATOM 0 HB THR A 70 7.018 -5.464 14.634 1.00 30.24 H new ATOM 0 HG1 THR A 70 5.664 -7.517 13.216 1.00 14.11 H new ATOM 0 HG21 THR A 70 4.819 -4.466 14.067 1.00 4.13 H new ATOM 0 HG22 THR A 70 6.138 -3.749 13.110 1.00 4.13 H new ATOM 0 HG23 THR A 70 5.050 -4.947 12.369 1.00 4.13 H new ATOM 1168 N GLY A 71 7.142 -5.851 10.254 1.00 24.53 N ATOM 1169 CA GLY A 71 6.505 -6.177 8.984 1.00 73.11 C ATOM 1170 C GLY A 71 5.174 -5.461 8.774 1.00 52.22 C ATOM 1171 O GLY A 71 4.420 -5.794 7.861 1.00 24.14 O ATOM 0 H GLY A 71 7.819 -5.089 10.208 1.00 24.53 H new ATOM 0 HA2 GLY A 71 7.181 -5.918 8.169 1.00 73.11 H new ATOM 0 HA3 GLY A 71 6.342 -7.254 8.933 1.00 73.11 H new ATOM 1175 N ARG A 72 4.880 -4.471 9.616 1.00 65.32 N ATOM 1176 CA ARG A 72 3.637 -3.703 9.484 1.00 40.44 C ATOM 1177 C ARG A 72 3.801 -2.570 8.464 1.00 25.23 C ATOM 1178 O ARG A 72 4.514 -1.596 8.709 1.00 54.40 O ATOM 1179 CB ARG A 72 3.205 -3.123 10.840 1.00 43.21 C ATOM 1180 CG ARG A 72 1.867 -2.379 10.790 1.00 74.13 C ATOM 1181 CD ARG A 72 1.470 -1.825 12.156 1.00 10.42 C ATOM 1182 NE ARG A 72 0.141 -1.206 12.131 1.00 54.54 N ATOM 1183 CZ ARG A 72 -0.263 -0.284 12.964 1.00 44.44 C ATOM 1184 NH1 ARG A 72 0.519 0.169 13.892 1.00 63.13 N ATOM 1185 NH2 ARG A 72 -1.462 0.187 12.863 1.00 4.43 N ATOM 0 H ARG A 72 5.477 -4.182 10.391 1.00 65.32 H new ATOM 0 HA ARG A 72 2.863 -4.385 9.131 1.00 40.44 H new ATOM 0 HB2 ARG A 72 3.134 -3.933 11.566 1.00 43.21 H new ATOM 0 HB3 ARG A 72 3.977 -2.441 11.197 1.00 43.21 H new ATOM 0 HG2 ARG A 72 1.933 -1.561 10.072 1.00 74.13 H new ATOM 0 HG3 ARG A 72 1.090 -3.054 10.433 1.00 74.13 H new ATOM 0 HD2 ARG A 72 1.482 -2.630 12.891 1.00 10.42 H new ATOM 0 HD3 ARG A 72 2.207 -1.089 12.477 1.00 10.42 H new ATOM 0 HE ARG A 72 -0.514 -1.517 11.413 1.00 54.54 H new ATOM 0 HH11 ARG A 72 1.468 -0.194 13.982 1.00 63.13 H new ATOM 0 HH12 ARG A 72 0.186 0.889 14.533 1.00 63.13 H new ATOM 0 HH21 ARG A 72 -2.087 -0.161 12.136 1.00 4.43 H new ATOM 0 HH22 ARG A 72 -1.783 0.907 13.510 1.00 4.43 H new ATOM 1199 N VAL A 73 3.139 -2.707 7.324 1.00 41.40 N ATOM 1200 CA VAL A 73 3.184 -1.688 6.270 1.00 51.24 C ATOM 1201 C VAL A 73 1.949 -0.780 6.345 1.00 30.31 C ATOM 1202 O VAL A 73 0.839 -1.262 6.554 1.00 74.33 O ATOM 1203 CB VAL A 73 3.252 -2.340 4.865 1.00 24.42 C ATOM 1204 CG1 VAL A 73 3.417 -1.280 3.774 1.00 41.33 C ATOM 1205 CG2 VAL A 73 4.381 -3.370 4.803 1.00 64.22 C ATOM 0 H VAL A 73 2.560 -3.516 7.099 1.00 41.40 H new ATOM 0 HA VAL A 73 4.084 -1.093 6.428 1.00 51.24 H new ATOM 0 HB VAL A 73 2.309 -2.857 4.686 1.00 24.42 H new ATOM 0 HG11 VAL A 73 3.462 -1.765 2.799 1.00 41.33 H new ATOM 0 HG12 VAL A 73 2.569 -0.596 3.800 1.00 41.33 H new ATOM 0 HG13 VAL A 73 4.338 -0.723 3.945 1.00 41.33 H new ATOM 0 HG21 VAL A 73 4.412 -3.816 3.809 1.00 64.22 H new ATOM 0 HG22 VAL A 73 5.332 -2.880 5.011 1.00 64.22 H new ATOM 0 HG23 VAL A 73 4.204 -4.149 5.545 1.00 64.22 H new ATOM 1215 N THR A 74 2.143 0.532 6.200 1.00 15.00 N ATOM 1216 CA THR A 74 1.018 1.486 6.253 1.00 12.23 C ATOM 1217 C THR A 74 1.123 2.580 5.174 1.00 23.55 C ATOM 1218 O THR A 74 2.081 3.354 5.146 1.00 23.25 O ATOM 1219 CB THR A 74 0.907 2.161 7.644 1.00 73.54 C ATOM 1220 OG1 THR A 74 0.729 1.165 8.662 1.00 4.01 O ATOM 1221 CG2 THR A 74 -0.265 3.139 7.689 1.00 12.45 C ATOM 0 H THR A 74 3.055 0.961 6.046 1.00 15.00 H new ATOM 0 HA THR A 74 0.121 0.896 6.063 1.00 12.23 H new ATOM 0 HB THR A 74 1.830 2.712 7.823 1.00 73.54 H new ATOM 0 HG1 THR A 74 0.662 1.600 9.537 1.00 4.01 H new ATOM 0 HG21 THR A 74 -0.319 3.597 8.676 1.00 12.45 H new ATOM 0 HG22 THR A 74 -0.121 3.914 6.936 1.00 12.45 H new ATOM 0 HG23 THR A 74 -1.193 2.604 7.486 1.00 12.45 H new ATOM 1229 N LEU A 75 0.125 2.634 4.293 1.00 74.22 N ATOM 1230 CA LEU A 75 0.035 3.675 3.261 1.00 24.35 C ATOM 1231 C LEU A 75 -0.954 4.779 3.684 1.00 74.40 C ATOM 1232 O LEU A 75 -2.145 4.520 3.871 1.00 10.14 O ATOM 1233 CB LEU A 75 -0.408 3.056 1.924 1.00 64.30 C ATOM 1234 CG LEU A 75 -0.563 4.043 0.751 1.00 71.42 C ATOM 1235 CD1 LEU A 75 0.774 4.685 0.390 1.00 25.20 C ATOM 1236 CD2 LEU A 75 -1.176 3.346 -0.463 1.00 45.40 C ATOM 0 H LEU A 75 -0.642 1.962 4.271 1.00 74.22 H new ATOM 0 HA LEU A 75 1.021 4.123 3.138 1.00 24.35 H new ATOM 0 HB2 LEU A 75 0.317 2.293 1.640 1.00 64.30 H new ATOM 0 HB3 LEU A 75 -1.361 2.549 2.077 1.00 64.30 H new ATOM 0 HG LEU A 75 -1.239 4.837 1.068 1.00 71.42 H new ATOM 0 HD11 LEU A 75 0.633 5.376 -0.441 1.00 25.20 H new ATOM 0 HD12 LEU A 75 1.162 5.228 1.252 1.00 25.20 H new ATOM 0 HD13 LEU A 75 1.483 3.910 0.100 1.00 25.20 H new ATOM 0 HD21 LEU A 75 -1.277 4.060 -1.280 1.00 45.40 H new ATOM 0 HD22 LEU A 75 -0.530 2.525 -0.776 1.00 45.40 H new ATOM 0 HD23 LEU A 75 -2.159 2.954 -0.200 1.00 45.40 H new ATOM 1248 N LEU A 76 -0.452 6.002 3.841 1.00 53.42 N ATOM 1249 CA LEU A 76 -1.285 7.141 4.250 1.00 53.22 C ATOM 1250 C LEU A 76 -1.513 8.119 3.086 1.00 32.33 C ATOM 1251 O LEU A 76 -0.565 8.708 2.559 1.00 61.12 O ATOM 1252 CB LEU A 76 -0.629 7.883 5.425 1.00 71.32 C ATOM 1253 CG LEU A 76 -0.385 7.040 6.686 1.00 71.14 C ATOM 1254 CD1 LEU A 76 0.369 7.846 7.739 1.00 2.22 C ATOM 1255 CD2 LEU A 76 -1.703 6.519 7.254 1.00 63.22 C ATOM 0 H LEU A 76 0.530 6.234 3.692 1.00 53.42 H new ATOM 0 HA LEU A 76 -2.253 6.747 4.560 1.00 53.22 H new ATOM 0 HB2 LEU A 76 0.326 8.287 5.089 1.00 71.32 H new ATOM 0 HB3 LEU A 76 -1.258 8.732 5.693 1.00 71.32 H new ATOM 0 HG LEU A 76 0.229 6.184 6.405 1.00 71.14 H new ATOM 0 HD11 LEU A 76 0.530 7.229 8.623 1.00 2.22 H new ATOM 0 HD12 LEU A 76 1.331 8.161 7.336 1.00 2.22 H new ATOM 0 HD13 LEU A 76 -0.215 8.725 8.012 1.00 2.22 H new ATOM 0 HD21 LEU A 76 -1.505 5.925 8.146 1.00 63.22 H new ATOM 0 HD22 LEU A 76 -2.345 7.361 7.513 1.00 63.22 H new ATOM 0 HD23 LEU A 76 -2.201 5.899 6.508 1.00 63.22 H new ATOM 1267 N ILE A 77 -2.776 8.290 2.702 1.00 51.55 N ATOM 1268 CA ILE A 77 -3.155 9.215 1.625 1.00 74.35 C ATOM 1269 C ILE A 77 -4.088 10.321 2.153 1.00 54.42 C ATOM 1270 O ILE A 77 -5.185 10.042 2.633 1.00 25.52 O ATOM 1271 CB ILE A 77 -3.859 8.455 0.468 1.00 51.12 C ATOM 1272 CG1 ILE A 77 -2.901 7.428 -0.168 1.00 10.21 C ATOM 1273 CG2 ILE A 77 -4.391 9.430 -0.584 1.00 3.33 C ATOM 1274 CD1 ILE A 77 -3.527 6.607 -1.280 1.00 41.24 C ATOM 0 H ILE A 77 -3.564 7.797 3.122 1.00 51.55 H new ATOM 0 HA ILE A 77 -2.241 9.673 1.247 1.00 74.35 H new ATOM 0 HB ILE A 77 -4.710 7.916 0.884 1.00 51.12 H new ATOM 0 HG12 ILE A 77 -2.032 7.953 -0.563 1.00 10.21 H new ATOM 0 HG13 ILE A 77 -2.540 6.754 0.609 1.00 10.21 H new ATOM 0 HG21 ILE A 77 -4.879 8.872 -1.383 1.00 3.33 H new ATOM 0 HG22 ILE A 77 -5.110 10.107 -0.122 1.00 3.33 H new ATOM 0 HG23 ILE A 77 -3.563 10.007 -0.997 1.00 3.33 H new ATOM 0 HD11 ILE A 77 -2.790 5.908 -1.676 1.00 41.24 H new ATOM 0 HD12 ILE A 77 -4.379 6.052 -0.887 1.00 41.24 H new ATOM 0 HD13 ILE A 77 -3.863 7.270 -2.077 1.00 41.24 H new ATOM 1286 N LYS A 78 -3.648 11.575 2.058 1.00 4.13 N ATOM 1287 CA LYS A 78 -4.419 12.716 2.570 1.00 72.21 C ATOM 1288 C LYS A 78 -4.923 13.613 1.429 1.00 2.11 C ATOM 1289 O LYS A 78 -4.262 13.746 0.400 1.00 10.21 O ATOM 1290 CB LYS A 78 -3.549 13.551 3.520 1.00 32.11 C ATOM 1291 CG LYS A 78 -2.926 12.755 4.665 1.00 71.05 C ATOM 1292 CD LYS A 78 -2.092 13.651 5.577 1.00 1.23 C ATOM 1293 CE LYS A 78 -1.353 12.852 6.643 1.00 73.34 C ATOM 1294 NZ LYS A 78 -0.550 13.730 7.535 1.00 73.53 N ATOM 0 H LYS A 78 -2.758 11.831 1.630 1.00 4.13 H new ATOM 0 HA LYS A 78 -5.282 12.319 3.104 1.00 72.21 H new ATOM 0 HB2 LYS A 78 -2.752 14.022 2.945 1.00 32.11 H new ATOM 0 HB3 LYS A 78 -4.156 14.353 3.939 1.00 32.11 H new ATOM 0 HG2 LYS A 78 -3.713 12.274 5.246 1.00 71.05 H new ATOM 0 HG3 LYS A 78 -2.299 11.961 4.259 1.00 71.05 H new ATOM 0 HD2 LYS A 78 -1.372 14.208 4.978 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -2.741 14.383 6.058 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -2.072 12.289 7.238 1.00 73.34 H new ATOM 0 HE3 LYS A 78 -0.698 12.125 6.163 1.00 73.34 H new ATOM 0 HZ1 LYS A 78 -0.062 13.149 8.247 1.00 73.53 H new ATOM 0 HZ2 LYS A 78 0.153 14.249 6.971 1.00 73.53 H new ATOM 0 HZ3 LYS A 78 -1.178 14.407 8.013 1.00 73.53 H new ATOM 1308 N ASP A 79 -6.093 14.229 1.627 1.00 64.34 N ATOM 1309 CA ASP A 79 -6.640 15.205 0.673 1.00 4.03 C ATOM 1310 C ASP A 79 -6.746 14.607 -0.750 1.00 4.32 C ATOM 1311 O ASP A 79 -6.480 15.278 -1.753 1.00 14.45 O ATOM 1312 CB ASP A 79 -5.755 16.462 0.685 1.00 42.23 C ATOM 1313 CG ASP A 79 -6.464 17.698 0.160 1.00 11.40 C ATOM 1314 OD1 ASP A 79 -7.350 18.224 0.869 1.00 4.52 O ATOM 1315 OD2 ASP A 79 -6.115 18.177 -0.937 1.00 54.22 O ATOM 0 H ASP A 79 -6.684 14.069 2.443 1.00 64.34 H new ATOM 0 HA ASP A 79 -7.652 15.473 0.976 1.00 4.03 H new ATOM 0 HB2 ASP A 79 -5.417 16.650 1.704 1.00 42.23 H new ATOM 0 HB3 ASP A 79 -4.865 16.278 0.083 1.00 42.23 H new ATOM 1320 N VAL A 80 -7.163 13.345 -0.823 1.00 0.13 N ATOM 1321 CA VAL A 80 -7.231 12.611 -2.096 1.00 52.01 C ATOM 1322 C VAL A 80 -8.400 13.099 -2.977 1.00 32.14 C ATOM 1323 O VAL A 80 -9.469 13.438 -2.472 1.00 54.12 O ATOM 1324 CB VAL A 80 -7.373 11.084 -1.838 1.00 14.30 C ATOM 1325 CG1 VAL A 80 -8.763 10.734 -1.315 1.00 14.43 C ATOM 1326 CG2 VAL A 80 -7.059 10.281 -3.092 1.00 75.31 C ATOM 0 H VAL A 80 -7.462 12.802 -0.013 1.00 0.13 H new ATOM 0 HA VAL A 80 -6.300 12.804 -2.630 1.00 52.01 H new ATOM 0 HB VAL A 80 -6.646 10.817 -1.071 1.00 14.30 H new ATOM 0 HG11 VAL A 80 -8.828 9.659 -1.145 1.00 14.43 H new ATOM 0 HG12 VAL A 80 -8.942 11.261 -0.378 1.00 14.43 H new ATOM 0 HG13 VAL A 80 -9.513 11.032 -2.048 1.00 14.43 H new ATOM 0 HG21 VAL A 80 -7.167 9.217 -2.880 1.00 75.31 H new ATOM 0 HG22 VAL A 80 -7.748 10.564 -3.887 1.00 75.31 H new ATOM 0 HG23 VAL A 80 -6.036 10.486 -3.409 1.00 75.31 H new ATOM 1336 N ASN A 81 -8.192 13.140 -4.294 1.00 62.52 N ATOM 1337 CA ASN A 81 -9.254 13.547 -5.231 1.00 43.02 C ATOM 1338 C ASN A 81 -9.529 12.452 -6.284 1.00 75.21 C ATOM 1339 O ASN A 81 -8.849 11.427 -6.315 1.00 70.14 O ATOM 1340 CB ASN A 81 -8.897 14.886 -5.895 1.00 64.14 C ATOM 1341 CG ASN A 81 -7.580 14.849 -6.648 1.00 3.41 C ATOM 1342 OD1 ASN A 81 -7.643 14.643 -7.946 1.00 14.03 O flip ATOM 1343 ND2 ASN A 81 -6.515 15.042 -6.074 1.00 11.32 N flip ATOM 0 H ASN A 81 -7.306 12.899 -4.739 1.00 62.52 H new ATOM 0 HA ASN A 81 -10.174 13.682 -4.663 1.00 43.02 H new ATOM 0 HB2 ASN A 81 -9.694 15.166 -6.584 1.00 64.14 H new ATOM 0 HB3 ASN A 81 -8.849 15.662 -5.131 1.00 64.14 H new ATOM 0 HD21 ASN A 81 -6.500 15.199 -5.066 1.00 11.32 H new ATOM 0 HD22 ASN A 81 -5.643 15.046 -6.604 1.00 11.32 H new ATOM 1350 N LYS A 82 -10.532 12.678 -7.140 1.00 44.34 N ATOM 1351 CA LYS A 82 -10.989 11.665 -8.116 1.00 15.14 C ATOM 1352 C LYS A 82 -9.838 11.052 -8.932 1.00 51.33 C ATOM 1353 O LYS A 82 -9.805 9.841 -9.160 1.00 31.42 O ATOM 1354 CB LYS A 82 -12.025 12.285 -9.067 1.00 30.50 C ATOM 1355 CG LYS A 82 -13.326 12.685 -8.382 1.00 65.35 C ATOM 1356 CD LYS A 82 -14.156 11.472 -7.973 1.00 61.02 C ATOM 1357 CE LYS A 82 -14.771 10.782 -9.182 1.00 35.23 C ATOM 1358 NZ LYS A 82 -15.530 9.559 -8.804 1.00 73.32 N ATOM 0 H LYS A 82 -11.049 13.556 -7.181 1.00 44.34 H new ATOM 0 HA LYS A 82 -11.439 10.855 -7.542 1.00 15.14 H new ATOM 0 HB2 LYS A 82 -11.589 13.165 -9.541 1.00 30.50 H new ATOM 0 HB3 LYS A 82 -12.248 11.573 -9.861 1.00 30.50 H new ATOM 0 HG2 LYS A 82 -13.101 13.284 -7.500 1.00 65.35 H new ATOM 0 HG3 LYS A 82 -13.910 13.314 -9.054 1.00 65.35 H new ATOM 0 HD2 LYS A 82 -13.527 10.766 -7.431 1.00 61.02 H new ATOM 0 HD3 LYS A 82 -14.946 11.784 -7.290 1.00 61.02 H new ATOM 0 HE2 LYS A 82 -15.436 11.476 -9.695 1.00 35.23 H new ATOM 0 HE3 LYS A 82 -13.983 10.516 -9.886 1.00 35.23 H new ATOM 0 HZ1 LYS A 82 -15.743 9.005 -9.658 1.00 73.32 H new ATOM 0 HZ2 LYS A 82 -14.960 8.984 -8.151 1.00 73.32 H new ATOM 0 HZ3 LYS A 82 -16.419 9.832 -8.338 1.00 73.32 H new ATOM 1372 N LYS A 83 -8.899 11.894 -9.366 1.00 33.20 N ATOM 1373 CA LYS A 83 -7.738 11.441 -10.151 1.00 71.32 C ATOM 1374 C LYS A 83 -6.980 10.289 -9.469 1.00 65.15 C ATOM 1375 O LYS A 83 -6.455 9.396 -10.138 1.00 72.35 O ATOM 1376 CB LYS A 83 -6.766 12.609 -10.387 1.00 62.12 C ATOM 1377 CG LYS A 83 -7.327 13.730 -11.257 1.00 22.22 C ATOM 1378 CD LYS A 83 -7.589 13.266 -12.687 1.00 72.32 C ATOM 1379 CE LYS A 83 -7.973 14.429 -13.598 1.00 72.23 C ATOM 1380 NZ LYS A 83 -8.198 13.985 -14.999 1.00 21.22 N ATOM 0 H LYS A 83 -8.916 12.898 -9.189 1.00 33.20 H new ATOM 0 HA LYS A 83 -8.126 11.074 -11.101 1.00 71.32 H new ATOM 0 HB2 LYS A 83 -6.476 13.025 -9.422 1.00 62.12 H new ATOM 0 HB3 LYS A 83 -5.860 12.223 -10.853 1.00 62.12 H new ATOM 0 HG2 LYS A 83 -8.255 14.099 -10.820 1.00 22.22 H new ATOM 0 HG3 LYS A 83 -6.626 14.565 -11.269 1.00 22.22 H new ATOM 0 HD2 LYS A 83 -6.698 12.776 -13.079 1.00 72.32 H new ATOM 0 HD3 LYS A 83 -8.388 12.524 -12.688 1.00 72.32 H new ATOM 0 HE2 LYS A 83 -8.877 14.904 -13.218 1.00 72.23 H new ATOM 0 HE3 LYS A 83 -7.185 15.182 -13.578 1.00 72.23 H new ATOM 0 HZ1 LYS A 83 -8.457 14.804 -15.585 1.00 21.22 H new ATOM 0 HZ2 LYS A 83 -7.327 13.554 -15.371 1.00 21.22 H new ATOM 0 HZ3 LYS A 83 -8.967 13.286 -15.022 1.00 21.22 H new ATOM 1394 N ASP A 84 -6.945 10.311 -8.139 1.00 4.53 N ATOM 1395 CA ASP A 84 -6.130 9.371 -7.362 1.00 71.31 C ATOM 1396 C ASP A 84 -6.842 8.037 -7.074 1.00 22.11 C ATOM 1397 O ASP A 84 -6.272 7.162 -6.418 1.00 34.40 O ATOM 1398 CB ASP A 84 -5.696 10.020 -6.046 1.00 1.45 C ATOM 1399 CG ASP A 84 -4.914 11.303 -6.261 1.00 13.34 C ATOM 1400 OD1 ASP A 84 -3.863 11.257 -6.936 1.00 74.02 O ATOM 1401 OD2 ASP A 84 -5.352 12.364 -5.763 1.00 22.14 O ATOM 0 H ASP A 84 -7.474 10.973 -7.571 1.00 4.53 H new ATOM 0 HA ASP A 84 -5.260 9.136 -7.975 1.00 71.31 H new ATOM 0 HB2 ASP A 84 -6.578 10.233 -5.441 1.00 1.45 H new ATOM 0 HB3 ASP A 84 -5.085 9.316 -5.482 1.00 1.45 H new ATOM 1406 N ALA A 85 -8.079 7.867 -7.545 1.00 64.24 N ATOM 1407 CA ALA A 85 -8.795 6.606 -7.312 1.00 14.15 C ATOM 1408 C ALA A 85 -8.360 5.525 -8.317 1.00 65.24 C ATOM 1409 O ALA A 85 -8.131 5.808 -9.496 1.00 31.34 O ATOM 1410 CB ALA A 85 -10.301 6.833 -7.403 1.00 72.24 C ATOM 0 H ALA A 85 -8.598 8.566 -8.077 1.00 64.24 H new ATOM 0 HA ALA A 85 -8.546 6.256 -6.310 1.00 14.15 H new ATOM 0 HB1 ALA A 85 -10.822 5.892 -7.229 1.00 72.24 H new ATOM 0 HB2 ALA A 85 -10.605 7.561 -6.651 1.00 72.24 H new ATOM 0 HB3 ALA A 85 -10.553 7.209 -8.395 1.00 72.24 H new ATOM 1416 N GLY A 86 -8.257 4.284 -7.843 1.00 33.14 N ATOM 1417 CA GLY A 86 -7.831 3.184 -8.702 1.00 71.25 C ATOM 1418 C GLY A 86 -7.684 1.861 -7.955 1.00 4.10 C ATOM 1419 O GLY A 86 -8.042 1.751 -6.782 1.00 32.21 O ATOM 0 H GLY A 86 -8.461 4.018 -6.879 1.00 33.14 H new ATOM 0 HA2 GLY A 86 -8.554 3.060 -9.508 1.00 71.25 H new ATOM 0 HA3 GLY A 86 -6.878 3.441 -9.165 1.00 71.25 H new ATOM 1423 N TRP A 87 -7.155 0.852 -8.642 1.00 61.33 N ATOM 1424 CA TRP A 87 -6.722 -0.389 -7.993 1.00 72.22 C ATOM 1425 C TRP A 87 -5.254 -0.292 -7.551 1.00 72.32 C ATOM 1426 O TRP A 87 -4.356 -0.095 -8.374 1.00 52.20 O ATOM 1427 CB TRP A 87 -6.903 -1.591 -8.933 1.00 73.33 C ATOM 1428 CG TRP A 87 -8.309 -2.112 -8.984 1.00 64.45 C ATOM 1429 CD1 TRP A 87 -9.300 -1.743 -9.846 1.00 65.11 C ATOM 1430 CD2 TRP A 87 -8.876 -3.111 -8.128 1.00 70.43 C ATOM 1431 NE1 TRP A 87 -10.447 -2.448 -9.577 1.00 74.24 N ATOM 1432 CE2 TRP A 87 -10.212 -3.292 -8.525 1.00 34.33 C ATOM 1433 CE3 TRP A 87 -8.379 -3.865 -7.060 1.00 32.51 C ATOM 1434 CZ2 TRP A 87 -11.058 -4.202 -7.897 1.00 31.22 C ATOM 1435 CZ3 TRP A 87 -9.220 -4.766 -6.435 1.00 12.33 C ATOM 1436 CH2 TRP A 87 -10.548 -4.927 -6.854 1.00 22.52 C ATOM 0 H TRP A 87 -7.014 0.867 -9.652 1.00 61.33 H new ATOM 0 HA TRP A 87 -7.346 -0.536 -7.111 1.00 72.22 H new ATOM 0 HB2 TRP A 87 -6.595 -1.304 -9.938 1.00 73.33 H new ATOM 0 HB3 TRP A 87 -6.239 -2.394 -8.613 1.00 73.33 H new ATOM 0 HD1 TRP A 87 -9.197 -1.004 -10.627 1.00 65.11 H new ATOM 0 HE1 TRP A 87 -11.330 -2.358 -10.079 1.00 74.24 H new ATOM 0 HE3 TRP A 87 -7.358 -3.745 -6.730 1.00 32.51 H new ATOM 0 HZ2 TRP A 87 -12.080 -4.331 -8.221 1.00 31.22 H new ATOM 0 HZ3 TRP A 87 -8.848 -5.356 -5.610 1.00 12.33 H new ATOM 0 HH2 TRP A 87 -11.181 -5.637 -6.344 1.00 22.52 H new ATOM 1447 N TYR A 88 -5.025 -0.417 -6.247 1.00 33.11 N ATOM 1448 CA TYR A 88 -3.673 -0.420 -5.687 1.00 13.23 C ATOM 1449 C TYR A 88 -3.148 -1.852 -5.518 1.00 13.31 C ATOM 1450 O TYR A 88 -3.637 -2.617 -4.685 1.00 52.35 O ATOM 1451 CB TYR A 88 -3.652 0.305 -4.332 1.00 20.54 C ATOM 1452 CG TYR A 88 -3.774 1.816 -4.434 1.00 40.01 C ATOM 1453 CD1 TYR A 88 -4.962 2.417 -4.839 1.00 42.12 C ATOM 1454 CD2 TYR A 88 -2.698 2.641 -4.119 1.00 22.42 C ATOM 1455 CE1 TYR A 88 -5.069 3.792 -4.931 1.00 71.42 C ATOM 1456 CE2 TYR A 88 -2.801 4.015 -4.208 1.00 24.25 C ATOM 1457 CZ TYR A 88 -3.986 4.583 -4.614 1.00 51.42 C ATOM 1458 OH TYR A 88 -4.089 5.953 -4.709 1.00 24.50 O ATOM 0 H TYR A 88 -5.764 -0.519 -5.551 1.00 33.11 H new ATOM 0 HA TYR A 88 -3.022 0.106 -6.385 1.00 13.23 H new ATOM 0 HB2 TYR A 88 -4.468 -0.074 -3.717 1.00 20.54 H new ATOM 0 HB3 TYR A 88 -2.724 0.060 -3.816 1.00 20.54 H new ATOM 0 HD1 TYR A 88 -5.813 1.800 -5.085 1.00 42.12 H new ATOM 0 HD2 TYR A 88 -1.766 2.199 -3.799 1.00 22.42 H new ATOM 0 HE1 TYR A 88 -5.997 4.244 -5.250 1.00 71.42 H new ATOM 0 HE2 TYR A 88 -1.956 4.640 -3.960 1.00 24.25 H new ATOM 0 HH TYR A 88 -4.838 6.185 -5.297 1.00 24.50 H new ATOM 1468 N THR A 89 -2.155 -2.208 -6.323 1.00 52.41 N ATOM 1469 CA THR A 89 -1.507 -3.523 -6.236 1.00 33.53 C ATOM 1470 C THR A 89 -0.190 -3.420 -5.462 1.00 64.14 C ATOM 1471 O THR A 89 0.690 -2.636 -5.825 1.00 32.11 O ATOM 1472 CB THR A 89 -1.227 -4.114 -7.644 1.00 33.52 C ATOM 1473 OG1 THR A 89 -2.453 -4.245 -8.385 1.00 62.44 O ATOM 1474 CG2 THR A 89 -0.552 -5.479 -7.546 1.00 11.30 C ATOM 0 H THR A 89 -1.774 -1.603 -7.051 1.00 52.41 H new ATOM 0 HA THR A 89 -2.192 -4.188 -5.710 1.00 33.53 H new ATOM 0 HB THR A 89 -0.557 -3.427 -8.162 1.00 33.52 H new ATOM 0 HG1 THR A 89 -2.890 -5.090 -8.148 1.00 62.44 H new ATOM 0 HG21 THR A 89 -0.369 -5.867 -8.548 1.00 11.30 H new ATOM 0 HG22 THR A 89 0.396 -5.379 -7.017 1.00 11.30 H new ATOM 0 HG23 THR A 89 -1.200 -6.167 -7.003 1.00 11.30 H new ATOM 1482 N VAL A 90 -0.062 -4.199 -4.389 1.00 53.04 N ATOM 1483 CA VAL A 90 1.141 -4.165 -3.548 1.00 13.15 C ATOM 1484 C VAL A 90 1.979 -5.449 -3.692 1.00 70.31 C ATOM 1485 O VAL A 90 1.471 -6.564 -3.544 1.00 50.42 O ATOM 1486 CB VAL A 90 0.785 -3.943 -2.054 1.00 52.31 C ATOM 1487 CG1 VAL A 90 -0.194 -5.004 -1.552 1.00 42.04 C ATOM 1488 CG2 VAL A 90 2.050 -3.916 -1.191 1.00 54.33 C ATOM 0 H VAL A 90 -0.773 -4.861 -4.079 1.00 53.04 H new ATOM 0 HA VAL A 90 1.737 -3.322 -3.898 1.00 13.15 H new ATOM 0 HB VAL A 90 0.294 -2.973 -1.970 1.00 52.31 H new ATOM 0 HG11 VAL A 90 -0.423 -4.820 -0.502 1.00 42.04 H new ATOM 0 HG12 VAL A 90 -1.112 -4.958 -2.137 1.00 42.04 H new ATOM 0 HG13 VAL A 90 0.254 -5.992 -1.658 1.00 42.04 H new ATOM 0 HG21 VAL A 90 1.776 -3.759 -0.148 1.00 54.33 H new ATOM 0 HG22 VAL A 90 2.577 -4.865 -1.289 1.00 54.33 H new ATOM 0 HG23 VAL A 90 2.699 -3.105 -1.521 1.00 54.33 H new ATOM 1498 N SER A 91 3.265 -5.278 -3.985 1.00 4.40 N ATOM 1499 CA SER A 91 4.200 -6.405 -4.104 1.00 62.41 C ATOM 1500 C SER A 91 5.360 -6.267 -3.110 1.00 51.23 C ATOM 1501 O SER A 91 5.970 -5.202 -2.994 1.00 52.24 O ATOM 1502 CB SER A 91 4.763 -6.494 -5.535 1.00 64.42 C ATOM 1503 OG SER A 91 3.737 -6.748 -6.483 1.00 65.24 O ATOM 0 H SER A 91 3.691 -4.365 -4.146 1.00 4.40 H new ATOM 0 HA SER A 91 3.647 -7.316 -3.876 1.00 62.41 H new ATOM 0 HB2 SER A 91 5.270 -5.562 -5.786 1.00 64.42 H new ATOM 0 HB3 SER A 91 5.510 -7.286 -5.585 1.00 64.42 H new ATOM 0 HG SER A 91 4.126 -6.797 -7.381 1.00 65.24 H new ATOM 1509 N ALA A 92 5.653 -7.347 -2.390 1.00 72.34 N ATOM 1510 CA ALA A 92 6.791 -7.384 -1.465 1.00 54.41 C ATOM 1511 C ALA A 92 7.826 -8.422 -1.920 1.00 25.02 C ATOM 1512 O ALA A 92 7.551 -9.624 -1.927 1.00 5.41 O ATOM 1513 CB ALA A 92 6.309 -7.696 -0.055 1.00 61.54 C ATOM 0 H ALA A 92 5.117 -8.214 -2.427 1.00 72.34 H new ATOM 0 HA ALA A 92 7.269 -6.405 -1.464 1.00 54.41 H new ATOM 0 HB1 ALA A 92 7.162 -7.721 0.624 1.00 61.54 H new ATOM 0 HB2 ALA A 92 5.610 -6.925 0.269 1.00 61.54 H new ATOM 0 HB3 ALA A 92 5.810 -8.665 -0.047 1.00 61.54 H new ATOM 1519 N VAL A 93 9.019 -7.958 -2.289 1.00 51.15 N ATOM 1520 CA VAL A 93 10.065 -8.855 -2.802 1.00 12.42 C ATOM 1521 C VAL A 93 11.292 -8.935 -1.872 1.00 24.24 C ATOM 1522 O VAL A 93 11.977 -7.941 -1.614 1.00 14.24 O ATOM 1523 CB VAL A 93 10.512 -8.443 -4.232 1.00 52.52 C ATOM 1524 CG1 VAL A 93 11.021 -7.005 -4.266 1.00 1.03 C ATOM 1525 CG2 VAL A 93 11.567 -9.411 -4.771 1.00 72.43 C ATOM 0 H VAL A 93 9.288 -6.975 -2.245 1.00 51.15 H new ATOM 0 HA VAL A 93 9.616 -9.848 -2.840 1.00 12.42 H new ATOM 0 HB VAL A 93 9.638 -8.496 -4.881 1.00 52.52 H new ATOM 0 HG11 VAL A 93 11.325 -6.751 -5.281 1.00 1.03 H new ATOM 0 HG12 VAL A 93 10.227 -6.330 -3.945 1.00 1.03 H new ATOM 0 HG13 VAL A 93 11.875 -6.905 -3.596 1.00 1.03 H new ATOM 0 HG21 VAL A 93 11.865 -9.103 -5.773 1.00 72.43 H new ATOM 0 HG22 VAL A 93 12.437 -9.403 -4.115 1.00 72.43 H new ATOM 0 HG23 VAL A 93 11.151 -10.418 -4.809 1.00 72.43 H new ATOM 1535 N ASN A 94 11.527 -10.130 -1.337 1.00 3.34 N ATOM 1536 CA ASN A 94 12.742 -10.436 -0.576 1.00 14.25 C ATOM 1537 C ASN A 94 13.604 -11.438 -1.364 1.00 43.14 C ATOM 1538 O ASN A 94 13.100 -12.132 -2.248 1.00 54.51 O ATOM 1539 CB ASN A 94 12.371 -11.004 0.806 1.00 51.35 C ATOM 1540 CG ASN A 94 13.582 -11.303 1.672 1.00 24.21 C ATOM 1541 OD1 ASN A 94 14.627 -10.678 1.537 1.00 74.31 O ATOM 1542 ND2 ASN A 94 13.452 -12.263 2.567 1.00 55.42 N ATOM 0 H ASN A 94 10.882 -10.916 -1.417 1.00 3.34 H new ATOM 0 HA ASN A 94 13.316 -9.522 -0.426 1.00 14.25 H new ATOM 0 HB2 ASN A 94 11.728 -10.292 1.324 1.00 51.35 H new ATOM 0 HB3 ASN A 94 11.792 -11.918 0.673 1.00 51.35 H new ATOM 0 HD21 ASN A 94 14.236 -12.505 3.173 1.00 55.42 H new ATOM 0 HD22 ASN A 94 12.567 -12.764 2.653 1.00 55.42 H new ATOM 1549 N GLU A 95 14.896 -11.528 -1.048 1.00 41.11 N ATOM 1550 CA GLU A 95 15.785 -12.476 -1.740 1.00 15.32 C ATOM 1551 C GLU A 95 15.259 -13.920 -1.617 1.00 30.44 C ATOM 1552 O GLU A 95 15.392 -14.726 -2.539 1.00 4.24 O ATOM 1553 CB GLU A 95 17.215 -12.397 -1.180 1.00 5.03 C ATOM 1554 CG GLU A 95 17.336 -12.838 0.277 1.00 54.22 C ATOM 1555 CD GLU A 95 18.781 -12.981 0.728 1.00 55.31 C ATOM 1556 OE1 GLU A 95 19.424 -13.992 0.366 1.00 53.15 O ATOM 1557 OE2 GLU A 95 19.284 -12.088 1.445 1.00 24.15 O ATOM 0 H GLU A 95 15.351 -10.967 -0.328 1.00 41.11 H new ATOM 0 HA GLU A 95 15.802 -12.198 -2.794 1.00 15.32 H new ATOM 0 HB2 GLU A 95 17.869 -13.018 -1.792 1.00 5.03 H new ATOM 0 HB3 GLU A 95 17.573 -11.371 -1.270 1.00 5.03 H new ATOM 0 HG2 GLU A 95 16.830 -12.113 0.915 1.00 54.22 H new ATOM 0 HG3 GLU A 95 16.823 -13.791 0.408 1.00 54.22 H new ATOM 1564 N ALA A 96 14.666 -14.234 -0.466 1.00 2.30 N ATOM 1565 CA ALA A 96 14.116 -15.570 -0.201 1.00 31.12 C ATOM 1566 C ALA A 96 12.825 -15.865 -1.001 1.00 42.21 C ATOM 1567 O ALA A 96 12.469 -17.028 -1.199 1.00 24.43 O ATOM 1568 CB ALA A 96 13.869 -15.730 1.296 1.00 33.21 C ATOM 0 H ALA A 96 14.552 -13.577 0.306 1.00 2.30 H new ATOM 0 HA ALA A 96 14.854 -16.298 -0.538 1.00 31.12 H new ATOM 0 HB1 ALA A 96 13.461 -16.721 1.494 1.00 33.21 H new ATOM 0 HB2 ALA A 96 14.809 -15.611 1.835 1.00 33.21 H new ATOM 0 HB3 ALA A 96 13.160 -14.972 1.631 1.00 33.21 H new ATOM 1574 N GLY A 97 12.133 -14.820 -1.466 1.00 35.11 N ATOM 1575 CA GLY A 97 10.869 -15.011 -2.185 1.00 22.34 C ATOM 1576 C GLY A 97 10.070 -13.720 -2.371 1.00 21.04 C ATOM 1577 O GLY A 97 10.468 -12.660 -1.889 1.00 42.14 O ATOM 0 H GLY A 97 12.421 -13.847 -1.360 1.00 35.11 H new ATOM 0 HA2 GLY A 97 11.079 -15.443 -3.164 1.00 22.34 H new ATOM 0 HA3 GLY A 97 10.257 -15.732 -1.643 1.00 22.34 H new ATOM 1581 N VAL A 98 8.928 -13.814 -3.052 1.00 1.45 N ATOM 1582 CA VAL A 98 8.090 -12.640 -3.346 1.00 72.34 C ATOM 1583 C VAL A 98 6.585 -12.958 -3.208 1.00 62.23 C ATOM 1584 O VAL A 98 6.153 -14.091 -3.438 1.00 32.32 O ATOM 1585 CB VAL A 98 8.377 -12.097 -4.775 1.00 13.10 C ATOM 1586 CG1 VAL A 98 8.077 -13.158 -5.834 1.00 10.14 C ATOM 1587 CG2 VAL A 98 7.587 -10.813 -5.045 1.00 13.12 C ATOM 0 H VAL A 98 8.557 -14.692 -3.414 1.00 1.45 H new ATOM 0 HA VAL A 98 8.347 -11.877 -2.612 1.00 72.34 H new ATOM 0 HB VAL A 98 9.438 -11.855 -4.834 1.00 13.10 H new ATOM 0 HG11 VAL A 98 8.286 -12.753 -6.824 1.00 10.14 H new ATOM 0 HG12 VAL A 98 8.703 -14.033 -5.660 1.00 10.14 H new ATOM 0 HG13 VAL A 98 7.027 -13.446 -5.774 1.00 10.14 H new ATOM 0 HG21 VAL A 98 7.807 -10.455 -6.051 1.00 13.12 H new ATOM 0 HG22 VAL A 98 6.520 -11.017 -4.957 1.00 13.12 H new ATOM 0 HG23 VAL A 98 7.871 -10.051 -4.319 1.00 13.12 H new ATOM 1597 N THR A 99 5.798 -11.954 -2.815 1.00 73.50 N ATOM 1598 CA THR A 99 4.335 -12.096 -2.682 1.00 13.03 C ATOM 1599 C THR A 99 3.606 -10.815 -3.129 1.00 74.31 C ATOM 1600 O THR A 99 4.087 -9.701 -2.896 1.00 11.50 O ATOM 1601 CB THR A 99 3.921 -12.438 -1.228 1.00 21.42 C ATOM 1602 OG1 THR A 99 2.494 -12.581 -1.132 1.00 23.33 O ATOM 1603 CG2 THR A 99 4.393 -11.364 -0.253 1.00 41.15 C ATOM 0 H THR A 99 6.147 -11.025 -2.580 1.00 73.50 H new ATOM 0 HA THR A 99 4.043 -12.921 -3.332 1.00 13.03 H new ATOM 0 HB THR A 99 4.397 -13.382 -0.963 1.00 21.42 H new ATOM 0 HG1 THR A 99 2.270 -13.095 -0.328 1.00 23.33 H new ATOM 0 HG21 THR A 99 4.088 -11.632 0.759 1.00 41.15 H new ATOM 0 HG22 THR A 99 5.479 -11.286 -0.296 1.00 41.15 H new ATOM 0 HG23 THR A 99 3.949 -10.406 -0.524 1.00 41.15 H new ATOM 1611 N THR A 100 2.447 -10.976 -3.772 1.00 43.20 N ATOM 1612 CA THR A 100 1.677 -9.832 -4.301 1.00 52.41 C ATOM 1613 C THR A 100 0.197 -9.895 -3.879 1.00 70.34 C ATOM 1614 O THR A 100 -0.392 -10.973 -3.800 1.00 62.35 O ATOM 1615 CB THR A 100 1.747 -9.771 -5.852 1.00 32.04 C ATOM 1616 OG1 THR A 100 3.109 -9.637 -6.286 1.00 63.24 O ATOM 1617 CG2 THR A 100 0.926 -8.609 -6.408 1.00 20.30 C ATOM 0 H THR A 100 2.016 -11.884 -3.942 1.00 43.20 H new ATOM 0 HA THR A 100 2.132 -8.936 -3.879 1.00 52.41 H new ATOM 0 HB THR A 100 1.328 -10.703 -6.232 1.00 32.04 H new ATOM 0 HG1 THR A 100 3.332 -8.687 -6.375 1.00 63.24 H new ATOM 0 HG21 THR A 100 1.000 -8.599 -7.495 1.00 20.30 H new ATOM 0 HG22 THR A 100 -0.117 -8.728 -6.116 1.00 20.30 H new ATOM 0 HG23 THR A 100 1.309 -7.669 -6.010 1.00 20.30 H new ATOM 1625 N CYS A 101 -0.402 -8.731 -3.621 1.00 23.22 N ATOM 1626 CA CYS A 101 -1.831 -8.639 -3.265 1.00 1.25 C ATOM 1627 C CYS A 101 -2.485 -7.393 -3.892 1.00 63.44 C ATOM 1628 O CYS A 101 -1.791 -6.492 -4.365 1.00 11.34 O ATOM 1629 CB CYS A 101 -2.007 -8.607 -1.743 1.00 63.34 C ATOM 1630 SG CYS A 101 -3.732 -8.622 -1.206 1.00 61.23 S ATOM 0 H CYS A 101 0.078 -7.831 -3.651 1.00 23.22 H new ATOM 0 HA CYS A 101 -2.326 -9.525 -3.663 1.00 1.25 H new ATOM 0 HB2 CYS A 101 -1.494 -9.466 -1.310 1.00 63.34 H new ATOM 0 HB3 CYS A 101 -1.522 -7.714 -1.350 1.00 63.34 H new ATOM 0 HG CYS A 101 -4.259 -7.450 -1.405 1.00 61.23 H new ATOM 1636 N ASN A 102 -3.822 -7.334 -3.882 1.00 1.41 N ATOM 1637 CA ASN A 102 -4.554 -6.232 -4.535 1.00 4.44 C ATOM 1638 C ASN A 102 -5.604 -5.594 -3.606 1.00 61.05 C ATOM 1639 O ASN A 102 -6.294 -6.284 -2.849 1.00 40.43 O ATOM 1640 CB ASN A 102 -5.249 -6.735 -5.807 1.00 42.20 C ATOM 1641 CG ASN A 102 -4.287 -7.398 -6.775 1.00 64.52 C ATOM 1642 OD1 ASN A 102 -3.685 -6.622 -7.654 1.00 44.45 O flip ATOM 1643 ND2 ASN A 102 -4.080 -8.609 -6.732 1.00 12.25 N flip ATOM 0 H ASN A 102 -4.419 -8.029 -3.434 1.00 1.41 H new ATOM 0 HA ASN A 102 -3.817 -5.469 -4.785 1.00 4.44 H new ATOM 0 HB2 ASN A 102 -6.030 -7.445 -5.533 1.00 42.20 H new ATOM 0 HB3 ASN A 102 -5.739 -5.898 -6.304 1.00 42.20 H new ATOM 0 HD21 ASN A 102 -4.561 -9.184 -6.040 1.00 12.25 H new ATOM 0 HD22 ASN A 102 -3.427 -9.038 -7.388 1.00 12.25 H new ATOM 1650 N THR A 103 -5.721 -4.268 -3.686 1.00 10.14 N ATOM 1651 CA THR A 103 -6.712 -3.506 -2.909 1.00 41.01 C ATOM 1652 C THR A 103 -7.268 -2.334 -3.726 1.00 13.10 C ATOM 1653 O THR A 103 -6.572 -1.764 -4.561 1.00 14.43 O ATOM 1654 CB THR A 103 -6.105 -2.982 -1.587 1.00 3.31 C ATOM 1655 OG1 THR A 103 -5.791 -4.090 -0.735 1.00 62.14 O ATOM 1656 CG2 THR A 103 -7.052 -2.032 -0.854 1.00 61.24 C ATOM 0 H THR A 103 -5.136 -3.689 -4.288 1.00 10.14 H new ATOM 0 HA THR A 103 -7.529 -4.187 -2.670 1.00 41.01 H new ATOM 0 HB THR A 103 -5.203 -2.423 -1.836 1.00 3.31 H new ATOM 0 HG1 THR A 103 -6.509 -4.212 -0.080 1.00 62.14 H new ATOM 0 HG21 THR A 103 -6.582 -1.690 0.068 1.00 61.24 H new ATOM 0 HG22 THR A 103 -7.271 -1.174 -1.490 1.00 61.24 H new ATOM 0 HG23 THR A 103 -7.979 -2.554 -0.617 1.00 61.24 H new ATOM 1664 N ARG A 104 -8.527 -1.971 -3.491 1.00 42.21 N ATOM 1665 CA ARG A 104 -9.190 -0.938 -4.304 1.00 32.45 C ATOM 1666 C ARG A 104 -9.413 0.362 -3.509 1.00 11.51 C ATOM 1667 O ARG A 104 -9.675 0.332 -2.307 1.00 71.44 O ATOM 1668 CB ARG A 104 -10.536 -1.469 -4.823 1.00 74.23 C ATOM 1669 CG ARG A 104 -11.105 -0.681 -5.998 1.00 11.33 C ATOM 1670 CD ARG A 104 -12.488 -1.185 -6.409 1.00 14.14 C ATOM 1671 NE ARG A 104 -13.513 -0.777 -5.456 1.00 75.30 N ATOM 1672 CZ ARG A 104 -14.726 -1.250 -5.414 1.00 72.31 C ATOM 1673 NH1 ARG A 104 -15.118 -2.168 -6.240 1.00 44.21 N ATOM 1674 NH2 ARG A 104 -15.557 -0.777 -4.546 1.00 3.55 N ATOM 0 H ARG A 104 -9.109 -2.368 -2.753 1.00 42.21 H new ATOM 0 HA ARG A 104 -8.535 -0.705 -5.144 1.00 32.45 H new ATOM 0 HB2 ARG A 104 -10.412 -2.510 -5.123 1.00 74.23 H new ATOM 0 HB3 ARG A 104 -11.258 -1.456 -4.007 1.00 74.23 H new ATOM 0 HG2 ARG A 104 -11.168 0.374 -5.731 1.00 11.33 H new ATOM 0 HG3 ARG A 104 -10.425 -0.754 -6.847 1.00 11.33 H new ATOM 0 HD2 ARG A 104 -12.737 -0.801 -7.398 1.00 14.14 H new ATOM 0 HD3 ARG A 104 -12.472 -2.272 -6.484 1.00 14.14 H new ATOM 0 HE ARG A 104 -13.261 -0.066 -4.769 1.00 75.30 H new ATOM 0 HH11 ARG A 104 -14.472 -2.534 -6.940 1.00 44.21 H new ATOM 0 HH12 ARG A 104 -16.072 -2.525 -6.190 1.00 44.21 H new ATOM 0 HH21 ARG A 104 -15.261 -0.042 -3.904 1.00 3.55 H new ATOM 0 HH22 ARG A 104 -16.510 -1.138 -4.502 1.00 3.55 H new ATOM 1688 N LEU A 105 -9.301 1.503 -4.187 1.00 72.41 N ATOM 1689 CA LEU A 105 -9.590 2.807 -3.572 1.00 53.03 C ATOM 1690 C LEU A 105 -10.657 3.559 -4.381 1.00 13.24 C ATOM 1691 O LEU A 105 -10.455 3.869 -5.557 1.00 31.44 O ATOM 1692 CB LEU A 105 -8.312 3.655 -3.466 1.00 31.42 C ATOM 1693 CG LEU A 105 -8.484 5.024 -2.777 1.00 71.30 C ATOM 1694 CD1 LEU A 105 -8.959 4.851 -1.335 1.00 3.22 C ATOM 1695 CD2 LEU A 105 -7.184 5.825 -2.826 1.00 14.15 C ATOM 0 H LEU A 105 -9.012 1.556 -5.164 1.00 72.41 H new ATOM 0 HA LEU A 105 -9.972 2.630 -2.567 1.00 53.03 H new ATOM 0 HB2 LEU A 105 -7.561 3.084 -2.920 1.00 31.42 H new ATOM 0 HB3 LEU A 105 -7.920 3.819 -4.470 1.00 31.42 H new ATOM 0 HG LEU A 105 -9.246 5.582 -3.321 1.00 71.30 H new ATOM 0 HD11 LEU A 105 -9.073 5.830 -0.870 1.00 3.22 H new ATOM 0 HD12 LEU A 105 -9.917 4.332 -1.327 1.00 3.22 H new ATOM 0 HD13 LEU A 105 -8.226 4.268 -0.778 1.00 3.22 H new ATOM 0 HD21 LEU A 105 -7.330 6.787 -2.334 1.00 14.15 H new ATOM 0 HD22 LEU A 105 -6.396 5.272 -2.315 1.00 14.15 H new ATOM 0 HD23 LEU A 105 -6.897 5.989 -3.865 1.00 14.15 H new ATOM 1707 N ASP A 106 -11.788 3.849 -3.748 1.00 12.44 N ATOM 1708 CA ASP A 106 -12.914 4.497 -4.421 1.00 34.14 C ATOM 1709 C ASP A 106 -13.094 5.949 -3.951 1.00 14.15 C ATOM 1710 O ASP A 106 -13.412 6.203 -2.789 1.00 4.42 O ATOM 1711 CB ASP A 106 -14.193 3.701 -4.147 1.00 11.44 C ATOM 1712 CG ASP A 106 -14.056 2.245 -4.553 1.00 64.51 C ATOM 1713 OD1 ASP A 106 -13.936 1.975 -5.765 1.00 12.30 O ATOM 1714 OD2 ASP A 106 -14.048 1.363 -3.663 1.00 63.12 O ATOM 0 H ASP A 106 -11.953 3.645 -2.762 1.00 12.44 H new ATOM 0 HA ASP A 106 -12.707 4.517 -5.491 1.00 34.14 H new ATOM 0 HB2 ASP A 106 -14.436 3.760 -3.086 1.00 11.44 H new ATOM 0 HB3 ASP A 106 -15.024 4.152 -4.690 1.00 11.44 H new ATOM 1719 N VAL A 107 -12.898 6.905 -4.856 1.00 71.02 N ATOM 1720 CA VAL A 107 -13.087 8.323 -4.532 1.00 21.31 C ATOM 1721 C VAL A 107 -14.287 8.906 -5.289 1.00 74.22 C ATOM 1722 O VAL A 107 -14.416 8.737 -6.504 1.00 14.30 O ATOM 1723 CB VAL A 107 -11.823 9.162 -4.853 1.00 21.32 C ATOM 1724 CG1 VAL A 107 -12.033 10.628 -4.474 1.00 4.45 C ATOM 1725 CG2 VAL A 107 -10.598 8.587 -4.139 1.00 11.03 C ATOM 0 H VAL A 107 -12.609 6.728 -5.818 1.00 71.02 H new ATOM 0 HA VAL A 107 -13.275 8.376 -3.460 1.00 21.31 H new ATOM 0 HB VAL A 107 -11.646 9.113 -5.927 1.00 21.32 H new ATOM 0 HG11 VAL A 107 -11.133 11.197 -4.708 1.00 4.45 H new ATOM 0 HG12 VAL A 107 -12.875 11.032 -5.036 1.00 4.45 H new ATOM 0 HG13 VAL A 107 -12.241 10.702 -3.407 1.00 4.45 H new ATOM 0 HG21 VAL A 107 -9.722 9.190 -4.377 1.00 11.03 H new ATOM 0 HG22 VAL A 107 -10.765 8.600 -3.062 1.00 11.03 H new ATOM 0 HG23 VAL A 107 -10.433 7.561 -4.468 1.00 11.03 H new ATOM 1735 N THR A 108 -15.159 9.602 -4.564 1.00 33.04 N ATOM 1736 CA THR A 108 -16.360 10.212 -5.147 1.00 41.43 C ATOM 1737 C THR A 108 -16.268 11.743 -5.102 1.00 32.23 C ATOM 1738 O THR A 108 -15.677 12.316 -4.180 1.00 0.32 O ATOM 1739 CB THR A 108 -17.648 9.742 -4.415 1.00 13.43 C ATOM 1740 OG1 THR A 108 -17.773 8.314 -4.519 1.00 53.23 O ATOM 1741 CG2 THR A 108 -18.902 10.400 -4.992 1.00 14.54 C ATOM 0 H THR A 108 -15.058 9.761 -3.562 1.00 33.04 H new ATOM 0 HA THR A 108 -16.417 9.888 -6.186 1.00 41.43 H new ATOM 0 HB THR A 108 -17.559 10.038 -3.370 1.00 13.43 H new ATOM 0 HG1 THR A 108 -18.585 8.022 -4.055 1.00 53.23 H new ATOM 0 HG21 THR A 108 -19.780 10.045 -4.453 1.00 14.54 H new ATOM 0 HG22 THR A 108 -18.826 11.482 -4.888 1.00 14.54 H new ATOM 0 HG23 THR A 108 -18.995 10.143 -6.047 1.00 14.54 H new ATOM 1749 N ALA A 109 -16.859 12.403 -6.094 1.00 51.22 N ATOM 1750 CA ALA A 109 -16.786 13.858 -6.208 1.00 0.21 C ATOM 1751 C ALA A 109 -17.677 14.533 -5.164 1.00 22.03 C ATOM 1752 O ALA A 109 -18.869 14.243 -5.072 1.00 53.23 O ATOM 1753 CB ALA A 109 -17.188 14.296 -7.610 1.00 13.34 C ATOM 0 H ALA A 109 -17.396 11.952 -6.834 1.00 51.22 H new ATOM 0 HA ALA A 109 -15.756 14.164 -6.024 1.00 0.21 H new ATOM 0 HB1 ALA A 109 -17.130 15.382 -7.683 1.00 13.34 H new ATOM 0 HB2 ALA A 109 -16.513 13.847 -8.339 1.00 13.34 H new ATOM 0 HB3 ALA A 109 -18.209 13.973 -7.813 1.00 13.34 H new ATOM 1759 N ARG A 110 -17.088 15.425 -4.375 1.00 34.12 N ATOM 1760 CA ARG A 110 -17.825 16.084 -3.285 1.00 41.34 C ATOM 1761 C ARG A 110 -18.990 16.947 -3.798 1.00 0.51 C ATOM 1762 O ARG A 110 -18.833 17.731 -4.736 1.00 75.52 O ATOM 1763 CB ARG A 110 -16.905 16.969 -2.424 1.00 74.34 C ATOM 1764 CG ARG A 110 -16.127 16.221 -1.345 1.00 0.05 C ATOM 1765 CD ARG A 110 -15.530 17.186 -0.321 1.00 72.20 C ATOM 1766 NE ARG A 110 -14.794 16.498 0.740 1.00 40.34 N ATOM 1767 CZ ARG A 110 -14.237 17.104 1.755 1.00 52.54 C ATOM 1768 NH1 ARG A 110 -14.327 18.389 1.889 1.00 21.42 N ATOM 1769 NH2 ARG A 110 -13.590 16.418 2.640 1.00 2.31 N ATOM 0 H ARG A 110 -16.113 15.711 -4.462 1.00 34.12 H new ATOM 0 HA ARG A 110 -18.227 15.273 -2.678 1.00 41.34 H new ATOM 0 HB2 ARG A 110 -16.196 17.476 -3.078 1.00 74.34 H new ATOM 0 HB3 ARG A 110 -17.509 17.742 -1.948 1.00 74.34 H new ATOM 0 HG2 ARG A 110 -16.787 15.515 -0.841 1.00 0.05 H new ATOM 0 HG3 ARG A 110 -15.330 15.638 -1.806 1.00 0.05 H new ATOM 0 HD2 ARG A 110 -14.862 17.881 -0.829 1.00 72.20 H new ATOM 0 HD3 ARG A 110 -16.330 17.779 0.123 1.00 72.20 H new ATOM 0 HE ARG A 110 -14.711 15.483 0.684 1.00 40.34 H new ATOM 0 HH11 ARG A 110 -14.837 18.939 1.198 1.00 21.42 H new ATOM 0 HH12 ARG A 110 -13.888 18.851 2.686 1.00 21.42 H new ATOM 0 HH21 ARG A 110 -13.515 15.405 2.545 1.00 2.31 H new ATOM 0 HH22 ARG A 110 -13.155 16.890 3.433 1.00 2.31 H new ATOM 1783 N PRO A 111 -20.176 16.822 -3.170 1.00 3.24 N ATOM 1784 CA PRO A 111 -21.292 17.745 -3.416 1.00 15.42 C ATOM 1785 C PRO A 111 -21.049 19.106 -2.741 1.00 33.14 C ATOM 1786 O PRO A 111 -21.752 20.083 -2.998 1.00 64.34 O ATOM 1787 CB PRO A 111 -22.491 17.023 -2.787 1.00 40.11 C ATOM 1788 CG PRO A 111 -21.902 16.173 -1.709 1.00 3.51 C ATOM 1789 CD PRO A 111 -20.532 15.766 -2.194 1.00 54.13 C ATOM 0 HA PRO A 111 -21.434 17.968 -4.473 1.00 15.42 H new ATOM 0 HB2 PRO A 111 -23.212 17.733 -2.381 1.00 40.11 H new ATOM 0 HB3 PRO A 111 -23.019 16.418 -3.524 1.00 40.11 H new ATOM 0 HG2 PRO A 111 -21.835 16.725 -0.771 1.00 3.51 H new ATOM 0 HG3 PRO A 111 -22.524 15.298 -1.520 1.00 3.51 H new ATOM 0 HD2 PRO A 111 -19.815 15.720 -1.375 1.00 54.13 H new ATOM 0 HD3 PRO A 111 -20.548 14.780 -2.659 1.00 54.13 H new ATOM 1797 N ASN A 112 -20.035 19.156 -1.874 1.00 35.32 N ATOM 1798 CA ASN A 112 -19.663 20.382 -1.161 1.00 44.11 C ATOM 1799 C ASN A 112 -18.140 20.628 -1.198 1.00 41.02 C ATOM 1800 O ASN A 112 -17.402 20.198 -0.311 1.00 70.51 O ATOM 1801 CB ASN A 112 -20.161 20.321 0.292 1.00 51.42 C ATOM 1802 CG ASN A 112 -19.703 19.066 1.020 1.00 3.13 C ATOM 1803 OD1 ASN A 112 -19.535 18.004 0.422 1.00 2.33 O ATOM 1804 ND2 ASN A 112 -19.496 19.173 2.316 1.00 44.13 N ATOM 0 H ASN A 112 -19.450 18.352 -1.647 1.00 35.32 H new ATOM 0 HA ASN A 112 -20.141 21.219 -1.669 1.00 44.11 H new ATOM 0 HB2 ASN A 112 -19.804 21.199 0.831 1.00 51.42 H new ATOM 0 HB3 ASN A 112 -21.250 20.363 0.300 1.00 51.42 H new ATOM 0 HD21 ASN A 112 -19.188 18.362 2.852 1.00 44.13 H new ATOM 0 HD22 ASN A 112 -19.644 20.067 2.784 1.00 44.13 H new ATOM 1811 N GLN A 113 -17.670 21.279 -2.257 1.00 62.22 N ATOM 1812 CA GLN A 113 -16.280 21.747 -2.325 1.00 42.51 C ATOM 1813 C GLN A 113 -16.170 23.190 -1.806 1.00 62.42 C ATOM 1814 O GLN A 113 -15.079 23.682 -1.502 1.00 24.11 O ATOM 1815 CB GLN A 113 -15.749 21.644 -3.764 1.00 53.42 C ATOM 1816 CG GLN A 113 -15.460 20.210 -4.208 1.00 61.44 C ATOM 1817 CD GLN A 113 -14.961 20.122 -5.643 1.00 62.21 C ATOM 1818 OE1 GLN A 113 -14.361 21.055 -6.166 1.00 35.33 O ATOM 1819 NE2 GLN A 113 -15.184 18.994 -6.286 1.00 74.43 N ATOM 0 H GLN A 113 -18.227 21.497 -3.083 1.00 62.22 H new ATOM 0 HA GLN A 113 -15.668 21.109 -1.687 1.00 42.51 H new ATOM 0 HB2 GLN A 113 -16.477 22.086 -4.444 1.00 53.42 H new ATOM 0 HB3 GLN A 113 -14.836 22.233 -3.848 1.00 53.42 H new ATOM 0 HG2 GLN A 113 -14.716 19.772 -3.543 1.00 61.44 H new ATOM 0 HG3 GLN A 113 -16.367 19.614 -4.107 1.00 61.44 H new ATOM 0 HE21 GLN A 113 -15.686 18.235 -5.825 1.00 74.43 H new ATOM 0 HE22 GLN A 113 -14.855 18.880 -7.245 1.00 74.43 H new ATOM 1828 N THR A 114 -17.314 23.862 -1.711 1.00 13.52 N ATOM 1829 CA THR A 114 -17.391 25.198 -1.109 1.00 72.22 C ATOM 1830 C THR A 114 -17.887 25.107 0.345 1.00 42.43 C ATOM 1831 O THR A 114 -19.092 25.038 0.602 1.00 3.25 O ATOM 1832 CB THR A 114 -18.330 26.131 -1.914 1.00 4.43 C ATOM 1833 OG1 THR A 114 -19.675 25.626 -1.886 1.00 74.14 O ATOM 1834 CG2 THR A 114 -17.866 26.257 -3.363 1.00 5.34 C ATOM 0 H THR A 114 -18.209 23.503 -2.045 1.00 13.52 H new ATOM 0 HA THR A 114 -16.386 25.620 -1.126 1.00 72.22 H new ATOM 0 HB THR A 114 -18.301 27.117 -1.450 1.00 4.43 H new ATOM 0 HG1 THR A 114 -19.903 25.353 -0.973 1.00 74.14 H new ATOM 0 HG21 THR A 114 -18.543 26.917 -3.906 1.00 5.34 H new ATOM 0 HG22 THR A 114 -16.858 26.671 -3.388 1.00 5.34 H new ATOM 0 HG23 THR A 114 -17.866 25.273 -3.832 1.00 5.34 H new ATOM 1842 N LEU A 115 -16.949 25.076 1.291 1.00 31.44 N ATOM 1843 CA LEU A 115 -17.283 24.943 2.717 1.00 51.23 C ATOM 1844 C LEU A 115 -17.467 26.320 3.384 1.00 75.03 C ATOM 1845 O LEU A 115 -16.541 27.135 3.397 1.00 25.03 O ATOM 1846 CB LEU A 115 -16.185 24.151 3.461 1.00 32.03 C ATOM 1847 CG LEU A 115 -16.121 22.637 3.170 1.00 2.31 C ATOM 1848 CD1 LEU A 115 -15.735 22.359 1.719 1.00 2.14 C ATOM 1849 CD2 LEU A 115 -15.148 21.947 4.129 1.00 43.41 C ATOM 0 H LEU A 115 -15.949 25.141 1.100 1.00 31.44 H new ATOM 0 HA LEU A 115 -18.226 24.400 2.781 1.00 51.23 H new ATOM 0 HB2 LEU A 115 -15.218 24.589 3.212 1.00 32.03 H new ATOM 0 HB3 LEU A 115 -16.330 24.288 4.533 1.00 32.03 H new ATOM 0 HG LEU A 115 -17.118 22.227 3.329 1.00 2.31 H new ATOM 0 HD11 LEU A 115 -15.700 21.282 1.552 1.00 2.14 H new ATOM 0 HD12 LEU A 115 -16.474 22.806 1.054 1.00 2.14 H new ATOM 0 HD13 LEU A 115 -14.755 22.790 1.514 1.00 2.14 H new ATOM 0 HD21 LEU A 115 -15.116 20.880 3.909 1.00 43.41 H new ATOM 0 HD22 LEU A 115 -14.152 22.373 4.006 1.00 43.41 H new ATOM 0 HD23 LEU A 115 -15.482 22.096 5.156 1.00 43.41 H new ATOM 1861 N PRO A 116 -18.666 26.600 3.941 1.00 43.24 N ATOM 1862 CA PRO A 116 -18.936 27.856 4.672 1.00 71.03 C ATOM 1863 C PRO A 116 -18.083 28.007 5.953 1.00 34.43 C ATOM 1864 O PRO A 116 -17.131 28.822 5.955 1.00 38.61 O ATOM 1865 CB PRO A 116 -20.434 27.755 5.023 1.00 23.11 C ATOM 1866 CG PRO A 116 -20.983 26.705 4.114 1.00 31.21 C ATOM 1867 CD PRO A 116 -19.858 25.734 3.889 1.00 31.03 C ATOM 1868 OXT PRO A 116 -18.356 27.294 6.945 1.00 38.61 O ATOM 0 HA PRO A 116 -18.682 28.730 4.072 1.00 71.03 H new ATOM 0 HB2 PRO A 116 -20.575 27.482 6.069 1.00 23.11 H new ATOM 0 HB3 PRO A 116 -20.939 28.709 4.871 1.00 23.11 H new ATOM 0 HG2 PRO A 116 -21.844 26.210 4.563 1.00 31.21 H new ATOM 0 HG3 PRO A 116 -21.320 27.139 3.173 1.00 31.21 H new ATOM 0 HD2 PRO A 116 -19.831 24.961 4.657 1.00 31.03 H new ATOM 0 HD3 PRO A 116 -19.948 25.226 2.929 1.00 31.03 H new TER 1876 PRO A 116