USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 987 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 70 TYR OH : rot 165:sc=-0.00736 USER MOD Set 1.2: A 124 ASN : amide:sc= 0 K(o=-0.0074,f=-0.7) USER MOD Set 2.1: A 38 CYS SG : rot 170:sc= -6.97! USER MOD Set 2.2: A 104 ASN : amide:sc= -1.08 K(o=-8,f=-7.3) USER MOD Set 3.1: A 25 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Set 3.2: A 80 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Set 4.1: A 75 LYS NZ :NH3+ 172:sc= 0.904 (180deg=0.841) USER MOD Set 4.2: A 77 TYR OH : rot -120:sc= 0.321 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0598) USER MOD Single : A 3 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.02) USER MOD Single : A 4 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-0.94) USER MOD Single : A 5 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.0813 (180deg=-0.478) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0172 K(o=0.017,f=-0.56) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00869 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -146:sc= -0.227 (180deg=-1.49) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.416) USER MOD Single : A 36 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 37 SER OG : rot 77:sc= 1.23 USER MOD Single : A 39 ASN : amide:sc= -0.43 K(o=-0.43,f=-3.4!) USER MOD Single : A 41 ASN : amide:sc= -0.051 K(o=-0.051,f=-0.74) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.73) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.46) USER MOD Single : A 69 GLN : amide:sc=-0.00254 X(o=-0.0025,f=0.32) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 1.57 (180deg=-0.413) USER MOD Single : A 84 ASN : amide:sc= -3.19 K(o=-3.2,f=-5!) USER MOD Single : A 85 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.06) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.633 K(o=0.63,f=-0.63) USER MOD Single : A 91 TYR OH : rot 150:sc= 0 USER MOD Single : A 94 SER OG : rot -46:sc= 0.528 USER MOD Single : A 98 THR OG1 : rot 97:sc= -0.109 USER MOD Single : A 101 MET CE :methyl 145:sc= -1.03 (180deg=-3.86!) USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.17) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -3.02! C(o=-3!,f=-4.6!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -109:sc= 0.708 (180deg=0.000455) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.4) USER MOD Single : A 126 ASN : amide:sc= 0.103 K(o=0.1,f=-2.5) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 42.343 -4.047 50.718 1.00 5.13 N ATOM 2 CA MET A 1 42.307 -5.274 49.886 1.00 53.45 C ATOM 3 C MET A 1 41.125 -5.219 48.926 1.00 44.22 C ATOM 4 O MET A 1 39.981 -5.463 49.318 1.00 51.53 O ATOM 5 CB MET A 1 42.222 -6.533 50.767 1.00 43.24 C ATOM 6 CG MET A 1 43.438 -6.740 51.662 1.00 63.42 C ATOM 7 SD MET A 1 44.968 -6.924 50.723 1.00 15.14 S ATOM 8 CE MET A 1 46.164 -7.092 52.047 1.00 45.23 C ATOM 0 H1 MET A 1 43.223 -4.029 51.272 1.00 5.13 H new ATOM 0 H2 MET A 1 42.304 -3.209 50.103 1.00 5.13 H new ATOM 0 H3 MET A 1 41.528 -4.041 51.364 1.00 5.13 H new ATOM 0 HA MET A 1 43.231 -5.326 49.310 1.00 53.45 H new ATOM 0 HB2 MET A 1 41.330 -6.469 51.390 1.00 43.24 H new ATOM 0 HB3 MET A 1 42.101 -7.406 50.126 1.00 43.24 H new ATOM 0 HG2 MET A 1 43.533 -5.893 52.341 1.00 63.42 H new ATOM 0 HG3 MET A 1 43.285 -7.627 52.277 1.00 63.42 H new ATOM 0 HE1 MET A 1 47.161 -7.214 51.623 1.00 45.23 H new ATOM 0 HE2 MET A 1 46.142 -6.200 52.672 1.00 45.23 H new ATOM 0 HE3 MET A 1 45.917 -7.965 52.652 1.00 45.23 H new ATOM 20 N ALA A 2 41.403 -4.874 47.673 1.00 61.21 N ATOM 21 CA ALA A 2 40.372 -4.763 46.650 1.00 54.41 C ATOM 22 C ALA A 2 40.471 -5.918 45.657 1.00 14.11 C ATOM 23 O ALA A 2 41.277 -5.880 44.721 1.00 11.04 O ATOM 24 CB ALA A 2 40.486 -3.421 45.935 1.00 21.02 C ATOM 0 H ALA A 2 42.344 -4.665 47.340 1.00 61.21 H new ATOM 0 HA ALA A 2 39.395 -4.817 47.131 1.00 54.41 H new ATOM 0 HB1 ALA A 2 39.711 -3.348 45.172 1.00 21.02 H new ATOM 0 HB2 ALA A 2 40.363 -2.613 46.656 1.00 21.02 H new ATOM 0 HB3 ALA A 2 41.466 -3.341 45.465 1.00 21.02 H new ATOM 30 N HIS A 3 39.656 -6.948 45.865 1.00 71.33 N ATOM 31 CA HIS A 3 39.662 -8.128 45.004 1.00 15.23 C ATOM 32 C HIS A 3 38.341 -8.208 44.242 1.00 42.03 C ATOM 33 O HIS A 3 37.666 -9.239 44.231 1.00 62.24 O ATOM 34 CB HIS A 3 39.901 -9.400 45.838 1.00 34.11 C ATOM 35 CG HIS A 3 40.253 -10.604 45.012 1.00 53.13 C ATOM 36 ND1 HIS A 3 41.538 -10.876 44.593 1.00 2.41 N ATOM 37 CD2 HIS A 3 39.483 -11.607 44.524 1.00 74.40 C ATOM 38 CE1 HIS A 3 41.545 -11.991 43.886 1.00 22.44 C ATOM 39 NE2 HIS A 3 40.309 -12.456 43.828 1.00 73.33 N ATOM 0 H HIS A 3 38.979 -6.990 46.627 1.00 71.33 H new ATOM 0 HA HIS A 3 40.476 -8.047 44.283 1.00 15.23 H new ATOM 0 HB2 HIS A 3 40.704 -9.211 46.551 1.00 34.11 H new ATOM 0 HB3 HIS A 3 39.004 -9.618 46.418 1.00 34.11 H new ATOM 0 HD2 HIS A 3 38.417 -11.718 44.658 1.00 74.40 H new ATOM 0 HE1 HIS A 3 42.413 -12.446 43.432 1.00 22.44 H new ATOM 0 HE2 HIS A 3 40.016 -13.306 43.346 1.00 73.33 H new ATOM 48 N HIS A 4 37.992 -7.097 43.608 1.00 45.40 N ATOM 49 CA HIS A 4 36.748 -6.974 42.852 1.00 44.13 C ATOM 50 C HIS A 4 36.643 -8.053 41.767 1.00 61.13 C ATOM 51 O HIS A 4 37.618 -8.359 41.078 1.00 63.41 O ATOM 52 CB HIS A 4 36.666 -5.572 42.228 1.00 63.32 C ATOM 53 CG HIS A 4 35.599 -5.413 41.184 1.00 24.12 C ATOM 54 ND1 HIS A 4 35.882 -5.258 39.843 1.00 41.23 N ATOM 55 CD2 HIS A 4 34.248 -5.373 41.286 1.00 42.03 C ATOM 56 CE1 HIS A 4 34.758 -5.132 39.168 1.00 11.32 C ATOM 57 NE2 HIS A 4 33.754 -5.198 40.018 1.00 53.13 N ATOM 0 H HIS A 4 38.563 -6.252 43.602 1.00 45.40 H new ATOM 0 HA HIS A 4 35.911 -7.117 43.536 1.00 44.13 H new ATOM 0 HB2 HIS A 4 36.491 -4.845 43.021 1.00 63.32 H new ATOM 0 HB3 HIS A 4 37.631 -5.330 41.782 1.00 63.32 H new ATOM 0 HD2 HIS A 4 33.670 -5.462 42.194 1.00 42.03 H new ATOM 0 HE1 HIS A 4 34.674 -4.998 38.100 1.00 11.32 H new ATOM 0 HE2 HIS A 4 32.766 -5.130 39.773 1.00 53.13 H new ATOM 66 N HIS A 5 35.452 -8.631 41.638 1.00 64.23 N ATOM 67 CA HIS A 5 35.177 -9.651 40.627 1.00 71.42 C ATOM 68 C HIS A 5 34.495 -9.007 39.426 1.00 60.30 C ATOM 69 O HIS A 5 33.846 -7.970 39.563 1.00 24.12 O ATOM 70 CB HIS A 5 34.278 -10.755 41.206 1.00 52.04 C ATOM 71 CG HIS A 5 34.885 -11.489 42.366 1.00 32.22 C ATOM 72 ND1 HIS A 5 35.081 -12.855 42.378 1.00 34.43 N ATOM 73 CD2 HIS A 5 35.322 -11.042 43.567 1.00 52.43 C ATOM 74 CE1 HIS A 5 35.610 -13.210 43.532 1.00 45.22 C ATOM 75 NE2 HIS A 5 35.767 -12.130 44.271 1.00 2.14 N ATOM 0 H HIS A 5 34.651 -8.407 42.229 1.00 64.23 H new ATOM 0 HA HIS A 5 36.120 -10.100 40.314 1.00 71.42 H new ATOM 0 HB2 HIS A 5 33.334 -10.312 41.523 1.00 52.04 H new ATOM 0 HB3 HIS A 5 34.045 -11.471 40.418 1.00 52.04 H new ATOM 0 HD2 HIS A 5 35.320 -10.017 43.907 1.00 52.43 H new ATOM 0 HE1 HIS A 5 35.871 -14.217 43.823 1.00 45.22 H new ATOM 0 HE2 HIS A 5 36.156 -12.108 45.213 1.00 2.14 H new ATOM 84 N HIS A 6 34.636 -9.615 38.255 1.00 65.03 N ATOM 85 CA HIS A 6 34.032 -9.073 37.040 1.00 10.33 C ATOM 86 C HIS A 6 33.679 -10.195 36.072 1.00 4.54 C ATOM 87 O HIS A 6 34.350 -11.228 36.040 1.00 45.24 O ATOM 88 CB HIS A 6 34.983 -8.075 36.357 1.00 24.31 C ATOM 89 CG HIS A 6 36.165 -8.709 35.675 1.00 13.13 C ATOM 90 ND1 HIS A 6 36.431 -8.544 34.331 1.00 65.35 N ATOM 91 CD2 HIS A 6 37.163 -9.491 36.157 1.00 74.12 C ATOM 92 CE1 HIS A 6 37.535 -9.192 34.017 1.00 10.44 C ATOM 93 NE2 HIS A 6 37.998 -9.774 35.105 1.00 62.25 N ATOM 0 H HIS A 6 35.160 -10.479 38.119 1.00 65.03 H new ATOM 0 HA HIS A 6 33.119 -8.549 37.323 1.00 10.33 H new ATOM 0 HB2 HIS A 6 34.420 -7.500 35.622 1.00 24.31 H new ATOM 0 HB3 HIS A 6 35.346 -7.368 37.104 1.00 24.31 H new ATOM 0 HD2 HIS A 6 37.279 -9.828 37.177 1.00 74.12 H new ATOM 0 HE1 HIS A 6 37.984 -9.238 33.036 1.00 10.44 H new ATOM 0 HE2 HIS A 6 38.842 -10.344 35.157 1.00 62.25 H new ATOM 102 N HIS A 7 32.623 -9.983 35.296 1.00 33.35 N ATOM 103 CA HIS A 7 32.207 -10.927 34.261 1.00 51.10 C ATOM 104 C HIS A 7 32.499 -10.343 32.883 1.00 60.25 C ATOM 105 O HIS A 7 32.852 -9.165 32.761 1.00 24.33 O ATOM 106 CB HIS A 7 30.710 -11.247 34.392 1.00 41.14 C ATOM 107 CG HIS A 7 30.370 -12.062 35.604 1.00 31.14 C ATOM 108 ND1 HIS A 7 30.036 -11.504 36.818 1.00 61.33 N ATOM 109 CD2 HIS A 7 30.314 -13.403 35.781 1.00 33.22 C ATOM 110 CE1 HIS A 7 29.789 -12.465 37.689 1.00 3.22 C ATOM 111 NE2 HIS A 7 29.951 -13.626 37.086 1.00 60.24 N ATOM 0 H HIS A 7 32.031 -9.155 35.364 1.00 33.35 H new ATOM 0 HA HIS A 7 32.769 -11.853 34.385 1.00 51.10 H new ATOM 0 HB2 HIS A 7 30.150 -10.313 34.425 1.00 41.14 H new ATOM 0 HB3 HIS A 7 30.383 -11.784 33.501 1.00 41.14 H new ATOM 0 HD2 HIS A 7 30.517 -14.157 35.035 1.00 33.22 H new ATOM 0 HE1 HIS A 7 29.503 -12.324 38.721 1.00 3.22 H new ATOM 0 HE2 HIS A 7 29.827 -14.541 37.519 1.00 60.24 H new ATOM 120 N HIS A 8 32.370 -11.167 31.855 1.00 60.10 N ATOM 121 CA HIS A 8 32.549 -10.726 30.479 1.00 71.14 C ATOM 122 C HIS A 8 31.627 -11.520 29.562 1.00 22.31 C ATOM 123 O HIS A 8 32.006 -12.564 29.025 1.00 53.54 O ATOM 124 CB HIS A 8 34.019 -10.873 30.052 1.00 13.34 C ATOM 125 CG HIS A 8 34.281 -10.525 28.616 1.00 23.10 C ATOM 126 ND1 HIS A 8 34.004 -9.287 28.070 1.00 63.14 N ATOM 127 CD2 HIS A 8 34.805 -11.263 27.612 1.00 45.31 C ATOM 128 CE1 HIS A 8 34.347 -9.284 26.796 1.00 30.31 C ATOM 129 NE2 HIS A 8 34.836 -10.469 26.493 1.00 22.43 N ATOM 0 H HIS A 8 32.139 -12.156 31.949 1.00 60.10 H new ATOM 0 HA HIS A 8 32.288 -9.671 30.404 1.00 71.14 H new ATOM 0 HB2 HIS A 8 34.635 -10.236 30.687 1.00 13.34 H new ATOM 0 HB3 HIS A 8 34.336 -11.901 30.229 1.00 13.34 H new ATOM 0 HD2 HIS A 8 35.138 -12.288 27.678 1.00 45.31 H new ATOM 0 HE1 HIS A 8 34.244 -8.451 26.116 1.00 30.31 H new ATOM 0 HE2 HIS A 8 35.182 -10.751 25.576 1.00 22.43 H new ATOM 138 N MET A 9 30.397 -11.042 29.434 1.00 40.52 N ATOM 139 CA MET A 9 29.397 -11.672 28.576 1.00 31.40 C ATOM 140 C MET A 9 28.533 -10.601 27.912 1.00 14.35 C ATOM 141 O MET A 9 28.124 -9.632 28.555 1.00 54.53 O ATOM 142 CB MET A 9 28.526 -12.646 29.389 1.00 32.01 C ATOM 143 CG MET A 9 27.770 -11.994 30.544 1.00 35.33 C ATOM 144 SD MET A 9 26.869 -13.188 31.557 1.00 52.12 S ATOM 145 CE MET A 9 25.746 -13.886 30.348 1.00 14.40 C ATOM 0 H MET A 9 30.063 -10.209 29.919 1.00 40.52 H new ATOM 0 HA MET A 9 29.907 -12.242 27.799 1.00 31.40 H new ATOM 0 HB2 MET A 9 27.807 -13.118 28.720 1.00 32.01 H new ATOM 0 HB3 MET A 9 29.160 -13.438 29.786 1.00 32.01 H new ATOM 0 HG2 MET A 9 28.475 -11.451 31.173 1.00 35.33 H new ATOM 0 HG3 MET A 9 27.069 -11.261 30.145 1.00 35.33 H new ATOM 0 HE1 MET A 9 24.935 -14.404 30.861 1.00 14.40 H new ATOM 0 HE2 MET A 9 25.334 -13.088 29.731 1.00 14.40 H new ATOM 0 HE3 MET A 9 26.285 -14.592 29.716 1.00 14.40 H new ATOM 155 N GLY A 10 28.273 -10.773 26.621 1.00 51.55 N ATOM 156 CA GLY A 10 27.474 -9.811 25.879 1.00 51.31 C ATOM 157 C GLY A 10 27.507 -10.082 24.390 1.00 34.41 C ATOM 158 O GLY A 10 28.483 -10.638 23.878 1.00 31.03 O ATOM 0 H GLY A 10 28.603 -11.566 26.071 1.00 51.55 H new ATOM 0 HA2 GLY A 10 26.443 -9.846 26.232 1.00 51.31 H new ATOM 0 HA3 GLY A 10 27.844 -8.804 26.073 1.00 51.31 H new ATOM 162 N THR A 11 26.448 -9.692 23.694 1.00 12.10 N ATOM 163 CA THR A 11 26.346 -9.896 22.257 1.00 54.04 C ATOM 164 C THR A 11 26.790 -8.635 21.515 1.00 1.12 C ATOM 165 O THR A 11 26.075 -7.633 21.482 1.00 54.55 O ATOM 166 CB THR A 11 24.898 -10.262 21.863 1.00 45.23 C ATOM 167 OG1 THR A 11 24.449 -11.362 22.670 1.00 72.54 O ATOM 168 CG2 THR A 11 24.802 -10.635 20.386 1.00 12.02 C ATOM 0 H THR A 11 25.640 -9.228 24.108 1.00 12.10 H new ATOM 0 HA THR A 11 27.000 -10.722 21.977 1.00 54.04 H new ATOM 0 HB THR A 11 24.265 -9.391 22.033 1.00 45.23 H new ATOM 0 HG1 THR A 11 23.530 -11.595 22.423 1.00 72.54 H new ATOM 0 HG21 THR A 11 23.770 -10.887 20.141 1.00 12.02 H new ATOM 0 HG22 THR A 11 25.124 -9.791 19.776 1.00 12.02 H new ATOM 0 HG23 THR A 11 25.443 -11.493 20.185 1.00 12.02 H new ATOM 176 N LEU A 12 27.986 -8.684 20.941 1.00 72.21 N ATOM 177 CA LEU A 12 28.556 -7.530 20.256 1.00 54.45 C ATOM 178 C LEU A 12 27.937 -7.359 18.868 1.00 33.14 C ATOM 179 O LEU A 12 28.353 -8.007 17.905 1.00 45.33 O ATOM 180 CB LEU A 12 30.087 -7.655 20.148 1.00 15.13 C ATOM 181 CG LEU A 12 30.873 -7.551 21.473 1.00 73.33 C ATOM 182 CD1 LEU A 12 30.528 -6.263 22.216 1.00 31.44 C ATOM 183 CD2 LEU A 12 30.639 -8.776 22.358 1.00 73.12 C ATOM 0 H LEU A 12 28.581 -9.512 20.936 1.00 72.21 H new ATOM 0 HA LEU A 12 28.325 -6.644 20.847 1.00 54.45 H new ATOM 0 HB2 LEU A 12 30.321 -8.614 19.685 1.00 15.13 H new ATOM 0 HB3 LEU A 12 30.448 -6.879 19.473 1.00 15.13 H new ATOM 0 HG LEU A 12 31.934 -7.522 21.225 1.00 73.33 H new ATOM 0 HD11 LEU A 12 31.096 -6.216 23.145 1.00 31.44 H new ATOM 0 HD12 LEU A 12 30.780 -5.405 21.593 1.00 31.44 H new ATOM 0 HD13 LEU A 12 29.462 -6.247 22.441 1.00 31.44 H new ATOM 0 HD21 LEU A 12 31.207 -8.671 23.283 1.00 73.12 H new ATOM 0 HD22 LEU A 12 29.578 -8.859 22.591 1.00 73.12 H new ATOM 0 HD23 LEU A 12 30.966 -9.673 21.832 1.00 73.12 H new ATOM 195 N GLU A 13 26.918 -6.509 18.787 1.00 1.35 N ATOM 196 CA GLU A 13 26.286 -6.156 17.518 1.00 13.11 C ATOM 197 C GLU A 13 25.884 -4.684 17.536 1.00 74.42 C ATOM 198 O GLU A 13 25.131 -4.254 18.414 1.00 64.35 O ATOM 199 CB GLU A 13 25.047 -7.026 17.259 1.00 41.04 C ATOM 200 CG GLU A 13 24.299 -6.644 15.982 1.00 22.42 C ATOM 201 CD GLU A 13 22.967 -7.359 15.837 1.00 31.14 C ATOM 202 OE1 GLU A 13 21.960 -6.861 16.383 1.00 42.45 O ATOM 203 OE2 GLU A 13 22.918 -8.416 15.172 1.00 1.31 O ATOM 0 H GLU A 13 26.507 -6.046 19.597 1.00 1.35 H new ATOM 0 HA GLU A 13 27.004 -6.332 16.717 1.00 13.11 H new ATOM 0 HB2 GLU A 13 25.352 -8.071 17.195 1.00 41.04 H new ATOM 0 HB3 GLU A 13 24.369 -6.943 18.108 1.00 41.04 H new ATOM 0 HG2 GLU A 13 24.130 -5.567 15.975 1.00 22.42 H new ATOM 0 HG3 GLU A 13 24.924 -6.874 15.119 1.00 22.42 H new ATOM 210 N ALA A 14 26.390 -3.918 16.576 1.00 41.13 N ATOM 211 CA ALA A 14 26.069 -2.500 16.474 1.00 72.45 C ATOM 212 C ALA A 14 25.809 -2.098 15.024 1.00 72.40 C ATOM 213 O ALA A 14 26.652 -1.472 14.373 1.00 12.23 O ATOM 214 CB ALA A 14 27.188 -1.658 17.080 1.00 13.33 C ATOM 0 H ALA A 14 27.027 -4.257 15.855 1.00 41.13 H new ATOM 0 HA ALA A 14 25.154 -2.316 17.037 1.00 72.45 H new ATOM 0 HB1 ALA A 14 26.934 -0.601 16.997 1.00 13.33 H new ATOM 0 HB2 ALA A 14 27.312 -1.920 18.131 1.00 13.33 H new ATOM 0 HB3 ALA A 14 28.118 -1.851 16.546 1.00 13.33 H new ATOM 220 N GLN A 15 24.643 -2.487 14.514 1.00 10.15 N ATOM 221 CA GLN A 15 24.214 -2.093 13.176 1.00 3.23 C ATOM 222 C GLN A 15 23.440 -0.777 13.261 1.00 34.04 C ATOM 223 O GLN A 15 22.221 -0.759 13.452 1.00 51.25 O ATOM 224 CB GLN A 15 23.378 -3.207 12.510 1.00 70.24 C ATOM 225 CG GLN A 15 22.271 -3.780 13.392 1.00 71.44 C ATOM 226 CD GLN A 15 21.475 -4.875 12.700 1.00 1.23 C ATOM 227 OE1 GLN A 15 21.316 -4.868 11.475 1.00 71.33 O ATOM 228 NE2 GLN A 15 20.975 -5.828 13.474 1.00 74.45 N ATOM 0 H GLN A 15 23.976 -3.078 15.011 1.00 10.15 H new ATOM 0 HA GLN A 15 25.091 -1.941 12.547 1.00 3.23 H new ATOM 0 HB2 GLN A 15 22.931 -2.812 11.598 1.00 70.24 H new ATOM 0 HB3 GLN A 15 24.045 -4.017 12.214 1.00 70.24 H new ATOM 0 HG2 GLN A 15 22.711 -4.179 14.306 1.00 71.44 H new ATOM 0 HG3 GLN A 15 21.595 -2.977 13.687 1.00 71.44 H new ATOM 0 HE21 GLN A 15 21.128 -5.799 14.482 1.00 74.45 H new ATOM 0 HE22 GLN A 15 20.437 -6.590 13.061 1.00 74.45 H new ATOM 237 N THR A 16 24.173 0.327 13.133 1.00 54.20 N ATOM 238 CA THR A 16 23.645 1.663 13.392 1.00 34.42 C ATOM 239 C THR A 16 22.708 2.160 12.287 1.00 62.53 C ATOM 240 O THR A 16 22.156 3.258 12.389 1.00 41.10 O ATOM 241 CB THR A 16 24.803 2.670 13.569 1.00 61.41 C ATOM 242 OG1 THR A 16 25.705 2.561 12.461 1.00 52.42 O ATOM 243 CG2 THR A 16 25.560 2.418 14.868 1.00 22.32 C ATOM 0 H THR A 16 25.152 0.319 12.846 1.00 54.20 H new ATOM 0 HA THR A 16 23.061 1.592 14.309 1.00 34.42 H new ATOM 0 HB THR A 16 24.380 3.674 13.609 1.00 61.41 H new ATOM 0 HG1 THR A 16 26.439 3.201 12.572 1.00 52.42 H new ATOM 0 HG21 THR A 16 26.369 3.142 14.964 1.00 22.32 H new ATOM 0 HG22 THR A 16 24.878 2.521 15.712 1.00 22.32 H new ATOM 0 HG23 THR A 16 25.975 1.410 14.858 1.00 22.32 H new ATOM 251 N GLN A 17 22.523 1.366 11.238 1.00 63.44 N ATOM 252 CA GLN A 17 21.634 1.751 10.142 1.00 64.45 C ATOM 253 C GLN A 17 20.445 0.795 10.051 1.00 33.11 C ATOM 254 O GLN A 17 20.603 -0.423 10.168 1.00 32.20 O ATOM 255 CB GLN A 17 22.392 1.791 8.804 1.00 74.31 C ATOM 256 CG GLN A 17 21.537 2.266 7.630 1.00 33.44 C ATOM 257 CD GLN A 17 22.324 2.412 6.339 1.00 50.24 C ATOM 258 OE1 GLN A 17 23.303 1.702 6.103 1.00 70.22 O ATOM 259 NE2 GLN A 17 21.901 3.339 5.491 1.00 3.00 N ATOM 0 H GLN A 17 22.972 0.458 11.121 1.00 63.44 H new ATOM 0 HA GLN A 17 21.259 2.753 10.351 1.00 64.45 H new ATOM 0 HB2 GLN A 17 23.255 2.450 8.904 1.00 74.31 H new ATOM 0 HB3 GLN A 17 22.776 0.795 8.584 1.00 74.31 H new ATOM 0 HG2 GLN A 17 20.722 1.560 7.473 1.00 33.44 H new ATOM 0 HG3 GLN A 17 21.084 3.225 7.883 1.00 33.44 H new ATOM 0 HE21 GLN A 17 21.086 3.908 5.722 1.00 3.00 H new ATOM 0 HE22 GLN A 17 22.390 3.484 4.608 1.00 3.00 H new ATOM 268 N GLY A 18 19.256 1.364 9.872 1.00 33.20 N ATOM 269 CA GLY A 18 18.050 0.574 9.709 1.00 74.43 C ATOM 270 C GLY A 18 16.922 1.402 9.119 1.00 34.34 C ATOM 271 O GLY A 18 16.937 2.629 9.239 1.00 53.00 O ATOM 0 H GLY A 18 19.107 2.372 9.837 1.00 33.20 H new ATOM 0 HA2 GLY A 18 18.256 -0.278 9.061 1.00 74.43 H new ATOM 0 HA3 GLY A 18 17.743 0.173 10.675 1.00 74.43 H new ATOM 275 N PRO A 19 15.932 0.765 8.467 1.00 2.50 N ATOM 276 CA PRO A 19 14.798 1.481 7.860 1.00 43.52 C ATOM 277 C PRO A 19 13.915 2.152 8.913 1.00 72.24 C ATOM 278 O PRO A 19 13.253 3.158 8.637 1.00 2.35 O ATOM 279 CB PRO A 19 14.033 0.379 7.111 1.00 32.43 C ATOM 280 CG PRO A 19 14.422 -0.892 7.795 1.00 14.22 C ATOM 281 CD PRO A 19 15.837 -0.696 8.268 1.00 71.51 C ATOM 0 HA PRO A 19 15.122 2.293 7.209 1.00 43.52 H new ATOM 0 HB2 PRO A 19 12.956 0.541 7.161 1.00 32.43 H new ATOM 0 HB3 PRO A 19 14.303 0.358 6.055 1.00 32.43 H new ATOM 0 HG2 PRO A 19 13.757 -1.103 8.632 1.00 14.22 H new ATOM 0 HG3 PRO A 19 14.353 -1.739 7.112 1.00 14.22 H new ATOM 0 HD2 PRO A 19 16.031 -1.241 9.192 1.00 71.51 H new ATOM 0 HD3 PRO A 19 16.559 -1.049 7.532 1.00 71.51 H new ATOM 289 N GLY A 20 13.925 1.596 10.122 1.00 5.30 N ATOM 290 CA GLY A 20 13.167 2.163 11.221 1.00 14.35 C ATOM 291 C GLY A 20 11.669 2.025 11.031 1.00 65.34 C ATOM 292 O GLY A 20 11.069 1.038 11.465 1.00 12.45 O ATOM 0 H GLY A 20 14.451 0.755 10.360 1.00 5.30 H new ATOM 0 HA2 GLY A 20 13.458 1.672 12.149 1.00 14.35 H new ATOM 0 HA3 GLY A 20 13.420 3.218 11.326 1.00 14.35 H new ATOM 296 N SER A 21 11.071 3.008 10.372 1.00 45.44 N ATOM 297 CA SER A 21 9.635 3.027 10.146 1.00 55.51 C ATOM 298 C SER A 21 9.313 3.810 8.874 1.00 14.30 C ATOM 299 O SER A 21 9.071 5.018 8.918 1.00 43.33 O ATOM 300 CB SER A 21 8.914 3.638 11.360 1.00 12.05 C ATOM 301 OG SER A 21 7.499 3.656 11.187 1.00 45.31 O ATOM 0 H SER A 21 11.566 3.810 9.981 1.00 45.44 H new ATOM 0 HA SER A 21 9.283 2.003 10.018 1.00 55.51 H new ATOM 0 HB2 SER A 21 9.163 3.067 12.255 1.00 12.05 H new ATOM 0 HB3 SER A 21 9.273 4.655 11.521 1.00 12.05 H new ATOM 0 HG SER A 21 7.078 4.050 11.979 1.00 45.31 H new ATOM 307 N MET A 22 9.361 3.126 7.739 1.00 44.04 N ATOM 308 CA MET A 22 8.995 3.723 6.457 1.00 54.23 C ATOM 309 C MET A 22 7.515 3.499 6.174 1.00 52.11 C ATOM 310 O MET A 22 6.861 4.327 5.536 1.00 33.04 O ATOM 311 CB MET A 22 9.848 3.137 5.321 1.00 22.15 C ATOM 312 CG MET A 22 11.299 3.597 5.340 1.00 31.40 C ATOM 313 SD MET A 22 11.464 5.384 5.113 1.00 25.43 S ATOM 314 CE MET A 22 10.634 5.611 3.536 1.00 4.14 C ATOM 0 H MET A 22 9.652 2.150 7.678 1.00 44.04 H new ATOM 0 HA MET A 22 9.185 4.795 6.511 1.00 54.23 H new ATOM 0 HB2 MET A 22 9.821 2.049 5.383 1.00 22.15 H new ATOM 0 HB3 MET A 22 9.402 3.413 4.365 1.00 22.15 H new ATOM 0 HG2 MET A 22 11.755 3.311 6.288 1.00 31.40 H new ATOM 0 HG3 MET A 22 11.850 3.082 4.553 1.00 31.40 H new ATOM 0 HE1 MET A 22 11.121 6.413 2.981 1.00 4.14 H new ATOM 0 HE2 MET A 22 10.687 4.687 2.961 1.00 4.14 H new ATOM 0 HE3 MET A 22 9.590 5.872 3.709 1.00 4.14 H new ATOM 324 N ILE A 23 6.994 2.375 6.652 1.00 73.32 N ATOM 325 CA ILE A 23 5.589 2.036 6.460 1.00 53.42 C ATOM 326 C ILE A 23 4.737 2.776 7.495 1.00 30.10 C ATOM 327 O ILE A 23 4.966 2.643 8.702 1.00 23.33 O ATOM 328 CB ILE A 23 5.353 0.507 6.583 1.00 34.44 C ATOM 329 CG1 ILE A 23 6.413 -0.277 5.783 1.00 12.34 C ATOM 330 CG2 ILE A 23 3.945 0.143 6.112 1.00 11.22 C ATOM 331 CD1 ILE A 23 6.432 0.036 4.301 1.00 53.21 C ATOM 0 H ILE A 23 7.526 1.681 7.177 1.00 73.32 H new ATOM 0 HA ILE A 23 5.300 2.341 5.454 1.00 53.42 H new ATOM 0 HB ILE A 23 5.448 0.230 7.633 1.00 34.44 H new ATOM 0 HG12 ILE A 23 7.397 -0.064 6.200 1.00 12.34 H new ATOM 0 HG13 ILE A 23 6.235 -1.344 5.915 1.00 12.34 H new ATOM 0 HG21 ILE A 23 3.797 -0.933 6.205 1.00 11.22 H new ATOM 0 HG22 ILE A 23 3.210 0.665 6.725 1.00 11.22 H new ATOM 0 HG23 ILE A 23 3.823 0.437 5.070 1.00 11.22 H new ATOM 0 HD11 ILE A 23 7.205 -0.558 3.814 1.00 53.21 H new ATOM 0 HD12 ILE A 23 5.462 -0.204 3.866 1.00 53.21 H new ATOM 0 HD13 ILE A 23 6.642 1.096 4.156 1.00 53.21 H new ATOM 343 N GLU A 24 3.770 3.557 7.023 1.00 63.24 N ATOM 344 CA GLU A 24 2.955 4.396 7.902 1.00 71.12 C ATOM 345 C GLU A 24 1.724 3.637 8.405 1.00 73.15 C ATOM 346 O GLU A 24 0.946 3.099 7.616 1.00 22.30 O ATOM 347 CB GLU A 24 2.524 5.672 7.169 1.00 71.32 C ATOM 348 CG GLU A 24 1.842 6.698 8.072 1.00 63.43 C ATOM 349 CD GLU A 24 1.435 7.965 7.336 1.00 52.25 C ATOM 350 OE1 GLU A 24 2.269 8.519 6.585 1.00 4.14 O ATOM 351 OE2 GLU A 24 0.281 8.416 7.500 1.00 14.52 O ATOM 0 H GLU A 24 3.530 3.628 6.034 1.00 63.24 H new ATOM 0 HA GLU A 24 3.562 4.669 8.765 1.00 71.12 H new ATOM 0 HB2 GLU A 24 3.400 6.130 6.710 1.00 71.32 H new ATOM 0 HB3 GLU A 24 1.844 5.404 6.360 1.00 71.32 H new ATOM 0 HG2 GLU A 24 0.958 6.246 8.521 1.00 63.43 H new ATOM 0 HG3 GLU A 24 2.516 6.960 8.888 1.00 63.43 H new ATOM 358 N GLN A 25 1.553 3.604 9.720 1.00 33.12 N ATOM 359 CA GLN A 25 0.411 2.934 10.340 1.00 40.11 C ATOM 360 C GLN A 25 -0.815 3.854 10.336 1.00 51.34 C ATOM 361 O GLN A 25 -0.718 5.030 10.713 1.00 31.01 O ATOM 362 CB GLN A 25 0.765 2.510 11.776 1.00 22.22 C ATOM 363 CG GLN A 25 1.231 3.658 12.667 1.00 74.02 C ATOM 364 CD GLN A 25 1.447 3.240 14.112 1.00 13.21 C ATOM 365 OE1 GLN A 25 0.538 3.318 14.934 1.00 51.04 O ATOM 366 NE2 GLN A 25 2.652 2.795 14.432 1.00 33.31 N ATOM 0 H GLN A 25 2.195 4.036 10.385 1.00 33.12 H new ATOM 0 HA GLN A 25 0.170 2.042 9.762 1.00 40.11 H new ATOM 0 HB2 GLN A 25 -0.108 2.042 12.231 1.00 22.22 H new ATOM 0 HB3 GLN A 25 1.548 1.753 11.737 1.00 22.22 H new ATOM 0 HG2 GLN A 25 2.161 4.064 12.269 1.00 74.02 H new ATOM 0 HG3 GLN A 25 0.493 4.459 12.633 1.00 74.02 H new ATOM 0 HE21 GLN A 25 3.382 2.744 13.722 1.00 33.31 H new ATOM 0 HE22 GLN A 25 2.850 2.503 15.389 1.00 33.31 H new ATOM 375 N ILE A 26 -1.962 3.334 9.886 1.00 11.21 N ATOM 376 CA ILE A 26 -3.203 4.122 9.844 1.00 15.54 C ATOM 377 C ILE A 26 -4.425 3.281 10.218 1.00 0.12 C ATOM 378 O ILE A 26 -4.355 2.051 10.305 1.00 71.30 O ATOM 379 CB ILE A 26 -3.458 4.742 8.441 1.00 70.20 C ATOM 380 CG1 ILE A 26 -3.595 3.638 7.377 1.00 15.44 C ATOM 381 CG2 ILE A 26 -2.353 5.727 8.066 1.00 24.33 C ATOM 382 CD1 ILE A 26 -4.002 4.155 6.010 1.00 0.41 C ATOM 0 H ILE A 26 -2.059 2.377 9.547 1.00 11.21 H new ATOM 0 HA ILE A 26 -3.065 4.919 10.574 1.00 15.54 H new ATOM 0 HB ILE A 26 -4.396 5.295 8.482 1.00 70.20 H new ATOM 0 HG12 ILE A 26 -2.645 3.111 7.288 1.00 15.44 H new ATOM 0 HG13 ILE A 26 -4.333 2.910 7.715 1.00 15.44 H new ATOM 0 HG21 ILE A 26 -2.557 6.145 7.080 1.00 24.33 H new ATOM 0 HG22 ILE A 26 -2.318 6.531 8.801 1.00 24.33 H new ATOM 0 HG23 ILE A 26 -1.394 5.209 8.049 1.00 24.33 H new ATOM 0 HD11 ILE A 26 -4.078 3.320 5.313 1.00 0.41 H new ATOM 0 HD12 ILE A 26 -4.967 4.656 6.083 1.00 0.41 H new ATOM 0 HD13 ILE A 26 -3.253 4.861 5.650 1.00 0.41 H new ATOM 394 N GLY A 27 -5.537 3.969 10.441 1.00 10.52 N ATOM 395 CA GLY A 27 -6.818 3.325 10.673 1.00 3.11 C ATOM 396 C GLY A 27 -7.895 3.913 9.779 1.00 0.31 C ATOM 397 O GLY A 27 -7.587 4.684 8.870 1.00 22.14 O ATOM 0 H GLY A 27 -5.574 4.988 10.466 1.00 10.52 H new ATOM 0 HA2 GLY A 27 -6.730 2.255 10.486 1.00 3.11 H new ATOM 0 HA3 GLY A 27 -7.104 3.443 11.718 1.00 3.11 H new ATOM 401 N ASP A 28 -9.154 3.558 10.032 1.00 52.24 N ATOM 402 CA ASP A 28 -10.276 4.044 9.221 1.00 63.34 C ATOM 403 C ASP A 28 -10.357 5.568 9.257 1.00 22.01 C ATOM 404 O ASP A 28 -10.507 6.225 8.222 1.00 73.40 O ATOM 405 CB ASP A 28 -11.601 3.443 9.712 1.00 12.44 C ATOM 406 CG ASP A 28 -12.810 4.022 8.986 1.00 22.12 C ATOM 407 OD1 ASP A 28 -13.128 3.554 7.870 1.00 30.14 O ATOM 408 OD2 ASP A 28 -13.451 4.948 9.530 1.00 42.15 O ATOM 0 H ASP A 28 -9.426 2.935 10.793 1.00 52.24 H new ATOM 0 HA ASP A 28 -10.102 3.728 8.192 1.00 63.34 H new ATOM 0 HB2 ASP A 28 -11.580 2.362 9.571 1.00 12.44 H new ATOM 0 HB3 ASP A 28 -11.703 3.623 10.782 1.00 12.44 H new ATOM 413 N SER A 29 -10.224 6.117 10.459 1.00 22.55 N ATOM 414 CA SER A 29 -10.349 7.551 10.685 1.00 23.44 C ATOM 415 C SER A 29 -9.356 8.343 9.835 1.00 51.54 C ATOM 416 O SER A 29 -9.618 9.493 9.471 1.00 41.40 O ATOM 417 CB SER A 29 -10.137 7.855 12.170 1.00 15.33 C ATOM 418 OG SER A 29 -11.067 7.135 12.965 1.00 13.01 O ATOM 0 H SER A 29 -10.027 5.580 11.304 1.00 22.55 H new ATOM 0 HA SER A 29 -11.352 7.858 10.388 1.00 23.44 H new ATOM 0 HB2 SER A 29 -9.120 7.589 12.460 1.00 15.33 H new ATOM 0 HB3 SER A 29 -10.250 8.925 12.348 1.00 15.33 H new ATOM 0 HG SER A 29 -10.916 7.340 13.911 1.00 13.01 H new ATOM 424 N GLU A 30 -8.221 7.729 9.515 1.00 22.42 N ATOM 425 CA GLU A 30 -7.193 8.402 8.733 1.00 52.43 C ATOM 426 C GLU A 30 -7.138 7.871 7.302 1.00 25.04 C ATOM 427 O GLU A 30 -6.632 8.550 6.425 1.00 21.44 O ATOM 428 CB GLU A 30 -5.806 8.249 9.383 1.00 44.11 C ATOM 429 CG GLU A 30 -5.804 8.332 10.909 1.00 44.44 C ATOM 430 CD GLU A 30 -5.987 6.968 11.560 1.00 2.41 C ATOM 431 OE1 GLU A 30 -7.142 6.532 11.739 1.00 64.15 O ATOM 432 OE2 GLU A 30 -4.965 6.313 11.857 1.00 55.14 O ATOM 0 H GLU A 30 -7.992 6.772 9.784 1.00 22.42 H new ATOM 0 HA GLU A 30 -7.462 9.458 8.707 1.00 52.43 H new ATOM 0 HB2 GLU A 30 -5.383 7.290 9.084 1.00 44.11 H new ATOM 0 HB3 GLU A 30 -5.148 9.024 8.990 1.00 44.11 H new ATOM 0 HG2 GLU A 30 -4.865 8.770 11.246 1.00 44.44 H new ATOM 0 HG3 GLU A 30 -6.602 8.999 11.236 1.00 44.44 H new ATOM 439 N PHE A 31 -7.666 6.668 7.067 1.00 13.22 N ATOM 440 CA PHE A 31 -7.510 5.995 5.770 1.00 60.52 C ATOM 441 C PHE A 31 -7.926 6.896 4.604 1.00 44.24 C ATOM 442 O PHE A 31 -7.094 7.258 3.759 1.00 12.14 O ATOM 443 CB PHE A 31 -8.328 4.690 5.743 1.00 62.44 C ATOM 444 CG PHE A 31 -8.304 3.972 4.411 1.00 45.44 C ATOM 445 CD1 PHE A 31 -7.198 3.224 4.024 1.00 33.10 C ATOM 446 CD2 PHE A 31 -9.391 4.044 3.545 1.00 33.31 C ATOM 447 CE1 PHE A 31 -7.179 2.566 2.806 1.00 74.33 C ATOM 448 CE2 PHE A 31 -9.373 3.388 2.329 1.00 63.41 C ATOM 449 CZ PHE A 31 -8.267 2.648 1.959 1.00 65.51 C ATOM 0 H PHE A 31 -8.204 6.139 7.753 1.00 13.22 H new ATOM 0 HA PHE A 31 -6.452 5.763 5.649 1.00 60.52 H new ATOM 0 HB2 PHE A 31 -7.946 4.019 6.512 1.00 62.44 H new ATOM 0 HB3 PHE A 31 -9.362 4.917 6.003 1.00 62.44 H new ATOM 0 HD1 PHE A 31 -6.344 3.155 4.681 1.00 33.10 H new ATOM 0 HD2 PHE A 31 -10.260 4.620 3.827 1.00 33.31 H new ATOM 0 HE1 PHE A 31 -6.313 1.988 2.518 1.00 74.33 H new ATOM 0 HE2 PHE A 31 -10.224 3.454 1.668 1.00 63.41 H new ATOM 0 HZ PHE A 31 -8.253 2.134 1.009 1.00 65.51 H new ATOM 459 N ASP A 32 -9.199 7.288 4.587 1.00 51.30 N ATOM 460 CA ASP A 32 -9.743 8.099 3.497 1.00 24.14 C ATOM 461 C ASP A 32 -8.934 9.379 3.338 1.00 40.04 C ATOM 462 O ASP A 32 -8.582 9.767 2.223 1.00 33.22 O ATOM 463 CB ASP A 32 -11.220 8.439 3.748 1.00 54.43 C ATOM 464 CG ASP A 32 -12.112 7.207 3.785 1.00 1.54 C ATOM 465 OD1 ASP A 32 -12.233 6.582 4.862 1.00 64.12 O ATOM 466 OD2 ASP A 32 -12.696 6.859 2.736 1.00 11.30 O ATOM 0 H ASP A 32 -9.874 7.057 5.316 1.00 51.30 H new ATOM 0 HA ASP A 32 -9.676 7.518 2.577 1.00 24.14 H new ATOM 0 HB2 ASP A 32 -11.309 8.975 4.693 1.00 54.43 H new ATOM 0 HB3 ASP A 32 -11.571 9.112 2.966 1.00 54.43 H new ATOM 471 N ASN A 33 -8.626 10.012 4.466 1.00 24.24 N ATOM 472 CA ASN A 33 -7.838 11.245 4.475 1.00 62.51 C ATOM 473 C ASN A 33 -6.465 11.018 3.847 1.00 42.22 C ATOM 474 O ASN A 33 -6.116 11.649 2.852 1.00 43.45 O ATOM 475 CB ASN A 33 -7.676 11.769 5.915 1.00 23.24 C ATOM 476 CG ASN A 33 -8.965 12.343 6.492 1.00 2.30 C ATOM 477 OD1 ASN A 33 -9.262 13.528 6.322 1.00 40.43 O ATOM 478 ND2 ASN A 33 -9.742 11.512 7.177 1.00 44.12 N ATOM 0 H ASN A 33 -8.911 9.691 5.391 1.00 24.24 H new ATOM 0 HA ASN A 33 -8.371 11.990 3.884 1.00 62.51 H new ATOM 0 HB2 ASN A 33 -7.329 10.957 6.554 1.00 23.24 H new ATOM 0 HB3 ASN A 33 -6.904 12.538 5.930 1.00 23.24 H new ATOM 0 HD21 ASN A 33 -10.616 11.848 7.582 1.00 44.12 H new ATOM 0 HD22 ASN A 33 -9.465 10.538 7.298 1.00 44.12 H new ATOM 485 N LYS A 34 -5.723 10.072 4.405 1.00 4.14 N ATOM 486 CA LYS A 34 -4.343 9.805 4.002 1.00 14.13 C ATOM 487 C LYS A 34 -4.258 9.431 2.522 1.00 21.53 C ATOM 488 O LYS A 34 -3.258 9.717 1.858 1.00 74.01 O ATOM 489 CB LYS A 34 -3.752 8.673 4.863 1.00 44.52 C ATOM 490 CG LYS A 34 -3.655 8.992 6.356 1.00 52.33 C ATOM 491 CD LYS A 34 -2.674 10.125 6.641 1.00 74.45 C ATOM 492 CE LYS A 34 -2.535 10.395 8.137 1.00 21.30 C ATOM 493 NZ LYS A 34 -1.983 9.223 8.874 1.00 50.12 N ATOM 0 H LYS A 34 -6.059 9.464 5.152 1.00 4.14 H new ATOM 0 HA LYS A 34 -3.766 10.717 4.155 1.00 14.13 H new ATOM 0 HB2 LYS A 34 -4.364 7.780 4.735 1.00 44.52 H new ATOM 0 HB3 LYS A 34 -2.756 8.433 4.491 1.00 44.52 H new ATOM 0 HG2 LYS A 34 -4.641 9.264 6.732 1.00 52.33 H new ATOM 0 HG3 LYS A 34 -3.343 8.099 6.897 1.00 52.33 H new ATOM 0 HD2 LYS A 34 -1.698 9.873 6.225 1.00 74.45 H new ATOM 0 HD3 LYS A 34 -3.011 11.032 6.138 1.00 74.45 H new ATOM 0 HE2 LYS A 34 -1.885 11.257 8.290 1.00 21.30 H new ATOM 0 HE3 LYS A 34 -3.510 10.654 8.549 1.00 21.30 H new ATOM 0 HZ1 LYS A 34 -1.503 9.550 9.737 1.00 50.12 H new ATOM 0 HZ2 LYS A 34 -2.758 8.579 9.132 1.00 50.12 H new ATOM 0 HZ3 LYS A 34 -1.303 8.721 8.268 1.00 50.12 H new ATOM 507 N VAL A 35 -5.299 8.776 2.012 1.00 21.25 N ATOM 508 CA VAL A 35 -5.331 8.370 0.607 1.00 21.02 C ATOM 509 C VAL A 35 -5.687 9.543 -0.320 1.00 62.45 C ATOM 510 O VAL A 35 -5.045 9.740 -1.356 1.00 14.41 O ATOM 511 CB VAL A 35 -6.325 7.202 0.377 1.00 71.53 C ATOM 512 CG1 VAL A 35 -6.384 6.812 -1.101 1.00 63.30 C ATOM 513 CG2 VAL A 35 -5.939 5.995 1.235 1.00 61.44 C ATOM 0 H VAL A 35 -6.128 8.516 2.547 1.00 21.25 H new ATOM 0 HA VAL A 35 -4.325 8.030 0.360 1.00 21.02 H new ATOM 0 HB VAL A 35 -7.317 7.539 0.676 1.00 71.53 H new ATOM 0 HG11 VAL A 35 -7.089 5.991 -1.233 1.00 63.30 H new ATOM 0 HG12 VAL A 35 -6.711 7.669 -1.691 1.00 63.30 H new ATOM 0 HG13 VAL A 35 -5.395 6.498 -1.434 1.00 63.30 H new ATOM 0 HG21 VAL A 35 -6.647 5.184 1.062 1.00 61.44 H new ATOM 0 HG22 VAL A 35 -4.935 5.664 0.967 1.00 61.44 H new ATOM 0 HG23 VAL A 35 -5.960 6.276 2.288 1.00 61.44 H new ATOM 523 N THR A 36 -6.697 10.327 0.056 1.00 41.34 N ATOM 524 CA THR A 36 -7.216 11.381 -0.821 1.00 23.21 C ATOM 525 C THR A 36 -6.440 12.696 -0.685 1.00 52.41 C ATOM 526 O THR A 36 -6.552 13.574 -1.542 1.00 42.34 O ATOM 527 CB THR A 36 -8.713 11.646 -0.546 1.00 21.21 C ATOM 528 OG1 THR A 36 -8.907 11.952 0.842 1.00 25.11 O ATOM 529 CG2 THR A 36 -9.566 10.438 -0.929 1.00 33.44 C ATOM 0 H THR A 36 -7.171 10.255 0.956 1.00 41.34 H new ATOM 0 HA THR A 36 -7.088 11.015 -1.840 1.00 23.21 H new ATOM 0 HB THR A 36 -9.025 12.494 -1.156 1.00 21.21 H new ATOM 0 HG1 THR A 36 -8.900 11.123 1.364 1.00 25.11 H new ATOM 0 HG21 THR A 36 -10.615 10.654 -0.724 1.00 33.44 H new ATOM 0 HG22 THR A 36 -9.440 10.225 -1.991 1.00 33.44 H new ATOM 0 HG23 THR A 36 -9.253 9.572 -0.346 1.00 33.44 H new ATOM 537 N SER A 37 -5.641 12.827 0.377 1.00 4.22 N ATOM 538 CA SER A 37 -4.876 14.057 0.620 1.00 11.33 C ATOM 539 C SER A 37 -3.630 14.131 -0.268 1.00 1.42 C ATOM 540 O SER A 37 -2.775 14.996 -0.083 1.00 32.44 O ATOM 541 CB SER A 37 -4.483 14.160 2.100 1.00 21.31 C ATOM 542 OG SER A 37 -5.639 14.226 2.922 1.00 73.31 O ATOM 0 H SER A 37 -5.506 12.101 1.081 1.00 4.22 H new ATOM 0 HA SER A 37 -5.517 14.901 0.364 1.00 11.33 H new ATOM 0 HB2 SER A 37 -3.879 13.298 2.382 1.00 21.31 H new ATOM 0 HB3 SER A 37 -3.868 15.046 2.257 1.00 21.31 H new ATOM 0 HG SER A 37 -6.037 13.334 2.999 1.00 73.31 H new ATOM 548 N CYS A 38 -3.533 13.220 -1.231 1.00 34.02 N ATOM 549 CA CYS A 38 -2.458 13.253 -2.217 1.00 31.52 C ATOM 550 C CYS A 38 -2.611 14.473 -3.124 1.00 41.25 C ATOM 551 O CYS A 38 -3.643 15.149 -3.108 1.00 25.31 O ATOM 552 CB CYS A 38 -2.474 11.974 -3.055 1.00 75.43 C ATOM 553 SG CYS A 38 -1.225 11.915 -4.357 1.00 11.31 S ATOM 0 H CYS A 38 -4.188 12.447 -1.350 1.00 34.02 H new ATOM 0 HA CYS A 38 -1.505 13.321 -1.693 1.00 31.52 H new ATOM 0 HB2 CYS A 38 -2.331 11.120 -2.393 1.00 75.43 H new ATOM 0 HB3 CYS A 38 -3.459 11.865 -3.509 1.00 75.43 H new ATOM 0 HG CYS A 38 -1.182 10.718 -4.863 1.00 11.31 H new ATOM 559 N ASN A 39 -1.585 14.749 -3.917 1.00 20.11 N ATOM 560 CA ASN A 39 -1.614 15.878 -4.839 1.00 71.42 C ATOM 561 C ASN A 39 -1.597 15.375 -6.278 1.00 21.10 C ATOM 562 O ASN A 39 -2.550 15.591 -7.030 1.00 1.14 O ATOM 563 CB ASN A 39 -0.423 16.813 -4.571 1.00 74.14 C ATOM 564 CG ASN A 39 -0.482 18.112 -5.370 1.00 73.30 C ATOM 565 OD1 ASN A 39 -0.931 18.147 -6.516 1.00 24.42 O ATOM 566 ND2 ASN A 39 -0.039 19.198 -4.755 1.00 24.01 N ATOM 0 H ASN A 39 -0.721 14.207 -3.941 1.00 20.11 H new ATOM 0 HA ASN A 39 -2.532 16.444 -4.683 1.00 71.42 H new ATOM 0 HB2 ASN A 39 -0.389 17.050 -3.508 1.00 74.14 H new ATOM 0 HB3 ASN A 39 0.502 16.289 -4.811 1.00 74.14 H new ATOM 0 HD21 ASN A 39 -0.063 20.100 -5.231 1.00 24.01 H new ATOM 0 HD22 ASN A 39 0.327 19.133 -3.805 1.00 24.01 H new ATOM 573 N ASP A 40 -0.518 14.687 -6.655 1.00 64.55 N ATOM 574 CA ASP A 40 -0.348 14.228 -8.034 1.00 54.44 C ATOM 575 C ASP A 40 0.707 13.124 -8.128 1.00 63.10 C ATOM 576 O ASP A 40 1.732 13.187 -7.452 1.00 24.24 O ATOM 577 CB ASP A 40 0.041 15.414 -8.933 1.00 61.42 C ATOM 578 CG ASP A 40 0.092 15.049 -10.409 1.00 64.11 C ATOM 579 OD1 ASP A 40 -0.971 14.727 -10.983 1.00 0.54 O ATOM 580 OD2 ASP A 40 1.187 15.097 -11.003 1.00 72.33 O ATOM 0 H ASP A 40 0.247 14.437 -6.029 1.00 64.55 H new ATOM 0 HA ASP A 40 -1.296 13.811 -8.374 1.00 54.44 H new ATOM 0 HB2 ASP A 40 -0.676 16.223 -8.789 1.00 61.42 H new ATOM 0 HB3 ASP A 40 1.015 15.793 -8.624 1.00 61.42 H new ATOM 585 N ASN A 41 0.421 12.103 -8.939 1.00 11.00 N ATOM 586 CA ASN A 41 1.379 11.027 -9.269 1.00 33.33 C ATOM 587 C ASN A 41 1.869 10.229 -8.052 1.00 53.41 C ATOM 588 O ASN A 41 2.683 9.319 -8.209 1.00 4.02 O ATOM 589 CB ASN A 41 2.602 11.589 -10.020 1.00 11.13 C ATOM 590 CG ASN A 41 2.288 12.050 -11.434 1.00 20.42 C ATOM 591 OD1 ASN A 41 1.409 11.503 -12.104 1.00 4.43 O ATOM 592 ND2 ASN A 41 3.012 13.055 -11.902 1.00 12.13 N ATOM 0 H ASN A 41 -0.486 11.992 -9.392 1.00 11.00 H new ATOM 0 HA ASN A 41 0.821 10.339 -9.904 1.00 33.33 H new ATOM 0 HB2 ASN A 41 3.011 12.427 -9.456 1.00 11.13 H new ATOM 0 HB3 ASN A 41 3.377 10.823 -10.060 1.00 11.13 H new ATOM 0 HD21 ASN A 41 2.851 13.402 -12.847 1.00 12.13 H new ATOM 0 HD22 ASN A 41 3.730 13.482 -11.317 1.00 12.13 H new ATOM 599 N ILE A 42 1.380 10.540 -6.855 1.00 23.11 N ATOM 600 CA ILE A 42 1.819 9.826 -5.659 1.00 35.24 C ATOM 601 C ILE A 42 1.098 8.486 -5.547 1.00 5.43 C ATOM 602 O ILE A 42 -0.104 8.434 -5.263 1.00 73.33 O ATOM 603 CB ILE A 42 1.586 10.650 -4.364 1.00 33.32 C ATOM 604 CG1 ILE A 42 2.309 12.007 -4.442 1.00 5.41 C ATOM 605 CG2 ILE A 42 2.045 9.866 -3.134 1.00 53.40 C ATOM 606 CD1 ILE A 42 3.815 11.897 -4.583 1.00 72.41 C ATOM 0 H ILE A 42 0.689 11.271 -6.687 1.00 23.11 H new ATOM 0 HA ILE A 42 2.892 9.662 -5.762 1.00 35.24 H new ATOM 0 HB ILE A 42 0.516 10.838 -4.271 1.00 33.32 H new ATOM 0 HG12 ILE A 42 1.915 12.569 -5.289 1.00 5.41 H new ATOM 0 HG13 ILE A 42 2.080 12.581 -3.544 1.00 5.41 H new ATOM 0 HG21 ILE A 42 1.873 10.462 -2.238 1.00 53.40 H new ATOM 0 HG22 ILE A 42 1.482 8.935 -3.065 1.00 53.40 H new ATOM 0 HG23 ILE A 42 3.108 9.641 -3.222 1.00 53.40 H new ATOM 0 HD11 ILE A 42 4.250 12.895 -4.631 1.00 72.41 H new ATOM 0 HD12 ILE A 42 4.223 11.365 -3.724 1.00 72.41 H new ATOM 0 HD13 ILE A 42 4.056 11.352 -5.496 1.00 72.41 H new ATOM 618 N LEU A 43 1.833 7.415 -5.812 1.00 65.14 N ATOM 619 CA LEU A 43 1.315 6.062 -5.689 1.00 50.33 C ATOM 620 C LEU A 43 1.227 5.661 -4.219 1.00 64.45 C ATOM 621 O LEU A 43 2.194 5.795 -3.465 1.00 70.32 O ATOM 622 CB LEU A 43 2.205 5.077 -6.466 1.00 23.51 C ATOM 623 CG LEU A 43 1.953 3.586 -6.180 1.00 64.24 C ATOM 624 CD1 LEU A 43 0.497 3.203 -6.446 1.00 60.14 C ATOM 625 CD2 LEU A 43 2.899 2.717 -7.004 1.00 2.22 C ATOM 0 H LEU A 43 2.805 7.461 -6.118 1.00 65.14 H new ATOM 0 HA LEU A 43 0.313 6.031 -6.116 1.00 50.33 H new ATOM 0 HB2 LEU A 43 2.065 5.253 -7.533 1.00 23.51 H new ATOM 0 HB3 LEU A 43 3.248 5.301 -6.240 1.00 23.51 H new ATOM 0 HG LEU A 43 2.151 3.411 -5.123 1.00 64.24 H new ATOM 0 HD11 LEU A 43 0.355 2.143 -6.234 1.00 60.14 H new ATOM 0 HD12 LEU A 43 -0.157 3.793 -5.804 1.00 60.14 H new ATOM 0 HD13 LEU A 43 0.254 3.400 -7.490 1.00 60.14 H new ATOM 0 HD21 LEU A 43 2.707 1.666 -6.789 1.00 2.22 H new ATOM 0 HD22 LEU A 43 2.736 2.906 -8.065 1.00 2.22 H new ATOM 0 HD23 LEU A 43 3.931 2.957 -6.747 1.00 2.22 H new ATOM 637 N ILE A 44 0.062 5.165 -3.829 1.00 23.21 N ATOM 638 CA ILE A 44 -0.201 4.781 -2.453 1.00 5.31 C ATOM 639 C ILE A 44 -0.471 3.281 -2.359 1.00 20.15 C ATOM 640 O ILE A 44 -1.395 2.769 -2.992 1.00 52.03 O ATOM 641 CB ILE A 44 -1.414 5.563 -1.889 1.00 42.21 C ATOM 642 CG1 ILE A 44 -1.126 7.074 -1.912 1.00 62.25 C ATOM 643 CG2 ILE A 44 -1.751 5.097 -0.477 1.00 22.53 C ATOM 644 CD1 ILE A 44 -2.278 7.930 -1.426 1.00 35.51 C ATOM 0 H ILE A 44 -0.727 5.018 -4.459 1.00 23.21 H new ATOM 0 HA ILE A 44 0.682 5.023 -1.861 1.00 5.31 H new ATOM 0 HB ILE A 44 -2.279 5.364 -2.521 1.00 42.21 H new ATOM 0 HG12 ILE A 44 -0.251 7.276 -1.294 1.00 62.25 H new ATOM 0 HG13 ILE A 44 -0.872 7.369 -2.930 1.00 62.25 H new ATOM 0 HG21 ILE A 44 -2.606 5.660 -0.102 1.00 22.53 H new ATOM 0 HG22 ILE A 44 -1.995 4.035 -0.493 1.00 22.53 H new ATOM 0 HG23 ILE A 44 -0.893 5.262 0.175 1.00 22.53 H new ATOM 0 HD11 ILE A 44 -1.995 8.982 -1.473 1.00 35.51 H new ATOM 0 HD12 ILE A 44 -3.150 7.760 -2.058 1.00 35.51 H new ATOM 0 HD13 ILE A 44 -2.519 7.665 -0.397 1.00 35.51 H new ATOM 656 N LEU A 45 0.357 2.581 -1.591 1.00 61.44 N ATOM 657 CA LEU A 45 0.161 1.156 -1.327 1.00 60.24 C ATOM 658 C LEU A 45 -0.296 0.979 0.119 1.00 54.43 C ATOM 659 O LEU A 45 0.146 1.712 0.995 1.00 13.55 O ATOM 660 CB LEU A 45 1.457 0.351 -1.552 1.00 31.45 C ATOM 661 CG LEU A 45 2.067 0.417 -2.964 1.00 1.41 C ATOM 662 CD1 LEU A 45 2.752 1.760 -3.208 1.00 22.22 C ATOM 663 CD2 LEU A 45 3.050 -0.731 -3.175 1.00 64.20 C ATOM 0 H LEU A 45 1.178 2.980 -1.136 1.00 61.44 H new ATOM 0 HA LEU A 45 -0.592 0.781 -2.020 1.00 60.24 H new ATOM 0 HB2 LEU A 45 2.205 0.701 -0.840 1.00 31.45 H new ATOM 0 HB3 LEU A 45 1.256 -0.694 -1.315 1.00 31.45 H new ATOM 0 HG LEU A 45 1.256 0.319 -3.685 1.00 1.41 H new ATOM 0 HD11 LEU A 45 3.173 1.776 -4.213 1.00 22.22 H new ATOM 0 HD12 LEU A 45 2.023 2.564 -3.107 1.00 22.22 H new ATOM 0 HD13 LEU A 45 3.550 1.899 -2.478 1.00 22.22 H new ATOM 0 HD21 LEU A 45 3.472 -0.669 -4.178 1.00 64.20 H new ATOM 0 HD22 LEU A 45 3.852 -0.663 -2.440 1.00 64.20 H new ATOM 0 HD23 LEU A 45 2.530 -1.682 -3.058 1.00 64.20 H new ATOM 675 N VAL A 46 -1.182 0.024 0.365 1.00 35.53 N ATOM 676 CA VAL A 46 -1.646 -0.274 1.723 1.00 43.31 C ATOM 677 C VAL A 46 -1.537 -1.773 1.987 1.00 52.12 C ATOM 678 O VAL A 46 -2.276 -2.562 1.401 1.00 33.34 O ATOM 679 CB VAL A 46 -3.115 0.180 1.949 1.00 4.25 C ATOM 680 CG1 VAL A 46 -3.575 -0.146 3.372 1.00 74.42 C ATOM 681 CG2 VAL A 46 -3.279 1.674 1.655 1.00 61.24 C ATOM 0 H VAL A 46 -1.598 -0.563 -0.358 1.00 35.53 H new ATOM 0 HA VAL A 46 -1.012 0.280 2.415 1.00 43.31 H new ATOM 0 HB VAL A 46 -3.747 -0.373 1.253 1.00 4.25 H new ATOM 0 HG11 VAL A 46 -4.606 0.182 3.505 1.00 74.42 H new ATOM 0 HG12 VAL A 46 -3.512 -1.222 3.537 1.00 74.42 H new ATOM 0 HG13 VAL A 46 -2.935 0.370 4.088 1.00 74.42 H new ATOM 0 HG21 VAL A 46 -4.316 1.966 1.821 1.00 61.24 H new ATOM 0 HG22 VAL A 46 -2.630 2.248 2.316 1.00 61.24 H new ATOM 0 HG23 VAL A 46 -3.008 1.873 0.618 1.00 61.24 H new ATOM 691 N ASP A 47 -0.603 -2.158 2.853 1.00 1.25 N ATOM 692 CA ASP A 47 -0.370 -3.573 3.162 1.00 73.53 C ATOM 693 C ASP A 47 -1.249 -4.049 4.322 1.00 54.21 C ATOM 694 O ASP A 47 -1.507 -3.303 5.275 1.00 31.25 O ATOM 695 CB ASP A 47 1.109 -3.813 3.493 1.00 71.42 C ATOM 696 CG ASP A 47 1.364 -5.218 4.017 1.00 60.04 C ATOM 697 OD1 ASP A 47 1.450 -6.155 3.200 1.00 64.14 O ATOM 698 OD2 ASP A 47 1.472 -5.381 5.252 1.00 64.14 O ATOM 0 H ASP A 47 0.007 -1.513 3.355 1.00 1.25 H new ATOM 0 HA ASP A 47 -0.638 -4.150 2.277 1.00 73.53 H new ATOM 0 HB2 ASP A 47 1.710 -3.646 2.599 1.00 71.42 H new ATOM 0 HB3 ASP A 47 1.435 -3.086 4.237 1.00 71.42 H new ATOM 703 N PHE A 48 -1.716 -5.293 4.221 1.00 53.34 N ATOM 704 CA PHE A 48 -2.498 -5.925 5.280 1.00 5.20 C ATOM 705 C PHE A 48 -1.581 -6.764 6.176 1.00 15.35 C ATOM 706 O PHE A 48 -0.960 -7.723 5.721 1.00 5.43 O ATOM 707 CB PHE A 48 -3.611 -6.797 4.677 1.00 44.41 C ATOM 708 CG PHE A 48 -4.582 -7.333 5.704 1.00 24.13 C ATOM 709 CD1 PHE A 48 -5.567 -6.514 6.240 1.00 61.24 C ATOM 710 CD2 PHE A 48 -4.512 -8.651 6.135 1.00 64.04 C ATOM 711 CE1 PHE A 48 -6.453 -6.994 7.185 1.00 13.10 C ATOM 712 CE2 PHE A 48 -5.395 -9.135 7.080 1.00 61.44 C ATOM 713 CZ PHE A 48 -6.369 -8.307 7.603 1.00 13.10 C ATOM 0 H PHE A 48 -1.563 -5.888 3.406 1.00 53.34 H new ATOM 0 HA PHE A 48 -2.965 -5.149 5.886 1.00 5.20 H new ATOM 0 HB2 PHE A 48 -4.161 -6.212 3.940 1.00 44.41 H new ATOM 0 HB3 PHE A 48 -3.158 -7.634 4.146 1.00 44.41 H new ATOM 0 HD1 PHE A 48 -5.641 -5.487 5.913 1.00 61.24 H new ATOM 0 HD2 PHE A 48 -3.757 -9.306 5.726 1.00 64.04 H new ATOM 0 HE1 PHE A 48 -7.210 -6.343 7.596 1.00 13.10 H new ATOM 0 HE2 PHE A 48 -5.324 -10.161 7.410 1.00 61.44 H new ATOM 0 HZ PHE A 48 -7.064 -8.686 8.338 1.00 13.10 H new ATOM 723 N TRP A 49 -1.514 -6.398 7.455 1.00 50.04 N ATOM 724 CA TRP A 49 -0.571 -7.005 8.393 1.00 72.43 C ATOM 725 C TRP A 49 -1.162 -8.239 9.079 1.00 53.15 C ATOM 726 O TRP A 49 -0.574 -9.321 9.026 1.00 14.04 O ATOM 727 CB TRP A 49 -0.152 -5.964 9.443 1.00 32.14 C ATOM 728 CG TRP A 49 0.862 -6.467 10.430 1.00 71.41 C ATOM 729 CD1 TRP A 49 2.044 -7.091 10.146 1.00 4.11 C ATOM 730 CD2 TRP A 49 0.790 -6.371 11.858 1.00 12.13 C ATOM 731 NE1 TRP A 49 2.707 -7.391 11.309 1.00 63.23 N ATOM 732 CE2 TRP A 49 1.959 -6.961 12.372 1.00 42.44 C ATOM 733 CE3 TRP A 49 -0.147 -5.845 12.751 1.00 22.04 C ATOM 734 CZ2 TRP A 49 2.215 -7.040 13.737 1.00 14.24 C ATOM 735 CZ3 TRP A 49 0.107 -5.924 14.108 1.00 2.31 C ATOM 736 CH2 TRP A 49 1.280 -6.517 14.590 1.00 34.13 C ATOM 0 H TRP A 49 -2.107 -5.678 7.868 1.00 50.04 H new ATOM 0 HA TRP A 49 0.302 -7.334 7.829 1.00 72.43 H new ATOM 0 HB2 TRP A 49 0.255 -5.091 8.932 1.00 32.14 H new ATOM 0 HB3 TRP A 49 -1.038 -5.632 9.985 1.00 32.14 H new ATOM 0 HD1 TRP A 49 2.403 -7.315 9.152 1.00 4.11 H new ATOM 0 HE1 TRP A 49 3.611 -7.859 11.372 1.00 63.23 H new ATOM 0 HE3 TRP A 49 -1.054 -5.385 12.388 1.00 22.04 H new ATOM 0 HZ2 TRP A 49 3.119 -7.498 14.111 1.00 14.24 H new ATOM 0 HZ3 TRP A 49 -0.611 -5.522 14.807 1.00 2.31 H new ATOM 0 HH2 TRP A 49 1.451 -6.563 15.655 1.00 34.13 H new ATOM 747 N ALA A 50 -2.321 -8.055 9.725 1.00 23.52 N ATOM 748 CA ALA A 50 -2.968 -9.109 10.519 1.00 13.32 C ATOM 749 C ALA A 50 -2.172 -9.391 11.804 1.00 34.33 C ATOM 750 O ALA A 50 -0.975 -9.108 11.871 1.00 42.14 O ATOM 751 CB ALA A 50 -3.153 -10.385 9.692 1.00 53.31 C ATOM 0 H ALA A 50 -2.836 -7.174 9.712 1.00 23.52 H new ATOM 0 HA ALA A 50 -3.958 -8.755 10.808 1.00 13.32 H new ATOM 0 HB1 ALA A 50 -3.634 -11.148 10.304 1.00 53.31 H new ATOM 0 HB2 ALA A 50 -3.777 -10.169 8.824 1.00 53.31 H new ATOM 0 HB3 ALA A 50 -2.180 -10.747 9.359 1.00 53.31 H new ATOM 757 N PRO A 51 -2.827 -9.931 12.858 1.00 23.15 N ATOM 758 CA PRO A 51 -2.153 -10.263 14.124 1.00 44.51 C ATOM 759 C PRO A 51 -0.965 -11.207 13.908 1.00 3.40 C ATOM 760 O PRO A 51 0.017 -11.179 14.659 1.00 2.25 O ATOM 761 CB PRO A 51 -3.252 -10.940 14.969 1.00 51.10 C ATOM 762 CG PRO A 51 -4.340 -11.285 14.002 1.00 13.22 C ATOM 763 CD PRO A 51 -4.267 -10.251 12.911 1.00 72.14 C ATOM 0 HA PRO A 51 -1.733 -9.381 14.606 1.00 44.51 H new ATOM 0 HB2 PRO A 51 -2.871 -11.832 15.467 1.00 51.10 H new ATOM 0 HB3 PRO A 51 -3.617 -10.271 15.748 1.00 51.10 H new ATOM 0 HG2 PRO A 51 -4.201 -12.288 13.599 1.00 13.22 H new ATOM 0 HG3 PRO A 51 -5.315 -11.270 14.489 1.00 13.22 H new ATOM 0 HD2 PRO A 51 -4.630 -10.641 11.960 1.00 72.14 H new ATOM 0 HD3 PRO A 51 -4.868 -9.372 13.146 1.00 72.14 H new ATOM 771 N TRP A 52 -1.063 -12.038 12.876 1.00 1.22 N ATOM 772 CA TRP A 52 0.023 -12.931 12.488 1.00 60.12 C ATOM 773 C TRP A 52 0.142 -12.970 10.967 1.00 35.40 C ATOM 774 O TRP A 52 -0.699 -13.559 10.284 1.00 5.14 O ATOM 775 CB TRP A 52 -0.199 -14.346 13.045 1.00 21.13 C ATOM 776 CG TRP A 52 0.810 -15.348 12.556 1.00 34.44 C ATOM 777 CD1 TRP A 52 0.596 -16.352 11.654 1.00 0.14 C ATOM 778 CD2 TRP A 52 2.191 -15.434 12.931 1.00 23.23 C ATOM 779 NE1 TRP A 52 1.755 -17.058 11.452 1.00 24.21 N ATOM 780 CE2 TRP A 52 2.747 -16.517 12.226 1.00 73.13 C ATOM 781 CE3 TRP A 52 3.008 -14.704 13.799 1.00 2.43 C ATOM 782 CZ2 TRP A 52 4.083 -16.883 12.358 1.00 54.54 C ATOM 783 CZ3 TRP A 52 4.334 -15.069 13.930 1.00 4.32 C ATOM 784 CH2 TRP A 52 4.861 -16.151 13.213 1.00 35.41 C ATOM 0 H TRP A 52 -1.893 -12.112 12.288 1.00 1.22 H new ATOM 0 HA TRP A 52 0.952 -12.548 12.910 1.00 60.12 H new ATOM 0 HB2 TRP A 52 -0.164 -14.309 14.134 1.00 21.13 H new ATOM 0 HB3 TRP A 52 -1.198 -14.684 12.769 1.00 21.13 H new ATOM 0 HD1 TRP A 52 -0.347 -16.559 11.171 1.00 0.14 H new ATOM 0 HE1 TRP A 52 1.861 -17.857 10.826 1.00 24.21 H new ATOM 0 HE3 TRP A 52 2.610 -13.870 14.357 1.00 2.43 H new ATOM 0 HZ2 TRP A 52 4.492 -17.716 11.805 1.00 54.54 H new ATOM 0 HZ3 TRP A 52 4.975 -14.511 14.596 1.00 4.32 H new ATOM 0 HH2 TRP A 52 5.901 -16.412 13.338 1.00 35.41 H new ATOM 795 N CYS A 53 1.177 -12.321 10.447 1.00 52.00 N ATOM 796 CA CYS A 53 1.424 -12.285 9.012 1.00 73.13 C ATOM 797 C CYS A 53 2.229 -13.512 8.568 1.00 20.35 C ATOM 798 O CYS A 53 1.717 -14.368 7.844 1.00 45.23 O ATOM 799 CB CYS A 53 2.137 -10.979 8.640 1.00 41.43 C ATOM 800 SG CYS A 53 3.435 -10.489 9.825 1.00 13.34 S ATOM 0 H CYS A 53 1.863 -11.810 11.003 1.00 52.00 H new ATOM 0 HA CYS A 53 0.470 -12.316 8.485 1.00 73.13 H new ATOM 0 HB2 CYS A 53 2.582 -11.087 7.651 1.00 41.43 H new ATOM 0 HB3 CYS A 53 1.399 -10.179 8.571 1.00 41.43 H new ATOM 805 N GLY A 54 3.482 -13.605 9.018 1.00 1.52 N ATOM 806 CA GLY A 54 4.325 -14.746 8.672 1.00 33.14 C ATOM 807 C GLY A 54 5.424 -14.378 7.687 1.00 55.43 C ATOM 808 O GLY A 54 6.481 -13.895 8.096 1.00 75.42 O ATOM 0 H GLY A 54 3.930 -12.911 9.616 1.00 1.52 H new ATOM 0 HA2 GLY A 54 4.774 -15.150 9.579 1.00 33.14 H new ATOM 0 HA3 GLY A 54 3.706 -15.535 8.244 1.00 33.14 H new ATOM 812 N PRO A 55 5.192 -14.564 6.365 1.00 33.55 N ATOM 813 CA PRO A 55 6.189 -14.245 5.323 1.00 60.14 C ATOM 814 C PRO A 55 6.532 -12.754 5.292 1.00 41.24 C ATOM 815 O PRO A 55 7.430 -12.318 4.567 1.00 42.11 O ATOM 816 CB PRO A 55 5.503 -14.685 4.015 1.00 34.24 C ATOM 817 CG PRO A 55 4.044 -14.702 4.334 1.00 3.40 C ATOM 818 CD PRO A 55 3.948 -15.105 5.781 1.00 12.45 C ATOM 0 HA PRO A 55 7.141 -14.747 5.497 1.00 60.14 H new ATOM 0 HB2 PRO A 55 5.722 -13.993 3.202 1.00 34.24 H new ATOM 0 HB3 PRO A 55 5.850 -15.669 3.698 1.00 34.24 H new ATOM 0 HG2 PRO A 55 3.596 -13.722 4.170 1.00 3.40 H new ATOM 0 HG3 PRO A 55 3.512 -15.407 3.695 1.00 3.40 H new ATOM 0 HD2 PRO A 55 3.063 -14.684 6.258 1.00 12.45 H new ATOM 0 HD3 PRO A 55 3.887 -16.187 5.894 1.00 12.45 H new ATOM 826 N CYS A 56 5.815 -11.985 6.107 1.00 62.30 N ATOM 827 CA CYS A 56 6.035 -10.550 6.247 1.00 44.11 C ATOM 828 C CYS A 56 7.486 -10.239 6.622 1.00 64.45 C ATOM 829 O CYS A 56 7.965 -9.134 6.386 1.00 53.44 O ATOM 830 CB CYS A 56 5.096 -9.999 7.323 1.00 35.23 C ATOM 831 SG CYS A 56 5.173 -10.936 8.887 1.00 71.43 S ATOM 0 H CYS A 56 5.060 -12.343 6.692 1.00 62.30 H new ATOM 0 HA CYS A 56 5.828 -10.076 5.287 1.00 44.11 H new ATOM 0 HB2 CYS A 56 5.348 -8.957 7.518 1.00 35.23 H new ATOM 0 HB3 CYS A 56 4.073 -10.015 6.947 1.00 35.23 H new ATOM 836 N ARG A 57 8.188 -11.232 7.171 1.00 2.44 N ATOM 837 CA ARG A 57 9.558 -11.044 7.646 1.00 44.32 C ATOM 838 C ARG A 57 10.445 -10.454 6.545 1.00 43.12 C ATOM 839 O ARG A 57 11.202 -9.518 6.789 1.00 71.42 O ATOM 840 CB ARG A 57 10.131 -12.387 8.126 1.00 44.54 C ATOM 841 CG ARG A 57 11.556 -12.306 8.671 1.00 52.03 C ATOM 842 CD ARG A 57 11.658 -11.406 9.901 1.00 74.51 C ATOM 843 NE ARG A 57 10.811 -11.878 11.002 1.00 65.12 N ATOM 844 CZ ARG A 57 11.189 -11.928 12.285 1.00 74.21 C ATOM 845 NH1 ARG A 57 12.417 -11.565 12.645 1.00 52.51 N ATOM 846 NH2 ARG A 57 10.336 -12.353 13.209 1.00 63.04 N ATOM 0 H ARG A 57 7.828 -12.178 7.298 1.00 2.44 H new ATOM 0 HA ARG A 57 9.541 -10.341 8.479 1.00 44.32 H new ATOM 0 HB2 ARG A 57 9.480 -12.789 8.902 1.00 44.54 H new ATOM 0 HB3 ARG A 57 10.112 -13.094 7.296 1.00 44.54 H new ATOM 0 HG2 ARG A 57 11.902 -13.307 8.927 1.00 52.03 H new ATOM 0 HG3 ARG A 57 12.219 -11.929 7.892 1.00 52.03 H new ATOM 0 HD2 ARG A 57 12.695 -11.364 10.234 1.00 74.51 H new ATOM 0 HD3 ARG A 57 11.369 -10.390 9.631 1.00 74.51 H new ATOM 0 HE ARG A 57 9.867 -12.190 10.774 1.00 65.12 H new ATOM 0 HH11 ARG A 57 13.081 -11.245 11.940 1.00 52.51 H new ATOM 0 HH12 ARG A 57 12.694 -11.607 13.626 1.00 52.51 H new ATOM 0 HH21 ARG A 57 9.395 -12.641 12.941 1.00 63.04 H new ATOM 0 HH22 ARG A 57 10.622 -12.392 14.187 1.00 63.04 H new ATOM 860 N SER A 58 10.360 -11.017 5.345 1.00 21.33 N ATOM 861 CA SER A 58 11.084 -10.488 4.186 1.00 41.04 C ATOM 862 C SER A 58 10.420 -9.212 3.644 1.00 31.52 C ATOM 863 O SER A 58 11.090 -8.216 3.320 1.00 71.22 O ATOM 864 CB SER A 58 11.151 -11.553 3.084 1.00 13.53 C ATOM 865 OG SER A 58 11.695 -12.763 3.584 1.00 61.31 O ATOM 0 H SER A 58 9.796 -11.843 5.145 1.00 21.33 H new ATOM 0 HA SER A 58 12.093 -10.230 4.506 1.00 41.04 H new ATOM 0 HB2 SER A 58 10.152 -11.735 2.687 1.00 13.53 H new ATOM 0 HB3 SER A 58 11.761 -11.189 2.257 1.00 13.53 H new ATOM 0 HG SER A 58 11.727 -13.429 2.866 1.00 61.31 H new ATOM 871 N LEU A 59 9.094 -9.248 3.559 1.00 0.44 N ATOM 872 CA LEU A 59 8.337 -8.202 2.878 1.00 15.22 C ATOM 873 C LEU A 59 8.463 -6.851 3.581 1.00 72.54 C ATOM 874 O LEU A 59 8.487 -5.824 2.918 1.00 21.13 O ATOM 875 CB LEU A 59 6.856 -8.605 2.711 1.00 3.02 C ATOM 876 CG LEU A 59 6.563 -9.566 1.543 1.00 74.32 C ATOM 877 CD1 LEU A 59 6.895 -8.907 0.205 1.00 11.50 C ATOM 878 CD2 LEU A 59 7.327 -10.881 1.711 1.00 43.43 C ATOM 0 H LEU A 59 8.520 -9.992 3.954 1.00 0.44 H new ATOM 0 HA LEU A 59 8.772 -8.089 1.885 1.00 15.22 H new ATOM 0 HB2 LEU A 59 6.517 -9.070 3.636 1.00 3.02 H new ATOM 0 HB3 LEU A 59 6.264 -7.700 2.573 1.00 3.02 H new ATOM 0 HG LEU A 59 5.498 -9.796 1.552 1.00 74.32 H new ATOM 0 HD11 LEU A 59 6.681 -9.603 -0.606 1.00 11.50 H new ATOM 0 HD12 LEU A 59 6.290 -8.009 0.082 1.00 11.50 H new ATOM 0 HD13 LEU A 59 7.951 -8.639 0.184 1.00 11.50 H new ATOM 0 HD21 LEU A 59 7.103 -11.542 0.874 1.00 43.43 H new ATOM 0 HD22 LEU A 59 8.398 -10.679 1.737 1.00 43.43 H new ATOM 0 HD23 LEU A 59 7.025 -11.361 2.642 1.00 43.43 H new ATOM 890 N GLU A 60 8.570 -6.851 4.910 1.00 70.44 N ATOM 891 CA GLU A 60 8.698 -5.597 5.658 1.00 24.32 C ATOM 892 C GLU A 60 9.950 -4.822 5.205 1.00 60.02 C ATOM 893 O GLU A 60 9.825 -3.703 4.702 1.00 11.14 O ATOM 894 CB GLU A 60 8.704 -5.848 7.179 1.00 33.13 C ATOM 895 CG GLU A 60 7.393 -6.416 7.717 1.00 41.11 C ATOM 896 CD GLU A 60 6.219 -5.464 7.547 1.00 55.21 C ATOM 897 OE1 GLU A 60 5.557 -5.503 6.491 1.00 64.45 O ATOM 898 OE2 GLU A 60 5.941 -4.683 8.482 1.00 60.04 O ATOM 0 H GLU A 60 8.571 -7.693 5.486 1.00 70.44 H new ATOM 0 HA GLU A 60 7.826 -4.981 5.440 1.00 24.32 H new ATOM 0 HB2 GLU A 60 9.513 -6.537 7.421 1.00 33.13 H new ATOM 0 HB3 GLU A 60 8.920 -4.910 7.691 1.00 33.13 H new ATOM 0 HG2 GLU A 60 7.172 -7.352 7.205 1.00 41.11 H new ATOM 0 HG3 GLU A 60 7.512 -6.652 8.774 1.00 41.11 H new ATOM 905 N PRO A 61 11.175 -5.402 5.335 1.00 45.33 N ATOM 906 CA PRO A 61 12.397 -4.741 4.867 1.00 70.11 C ATOM 907 C PRO A 61 12.352 -4.450 3.365 1.00 41.30 C ATOM 908 O PRO A 61 12.762 -3.371 2.934 1.00 52.21 O ATOM 909 CB PRO A 61 13.529 -5.727 5.208 1.00 1.11 C ATOM 910 CG PRO A 61 12.854 -7.034 5.447 1.00 51.11 C ATOM 911 CD PRO A 61 11.474 -6.708 5.953 1.00 23.33 C ATOM 0 HA PRO A 61 12.535 -3.770 5.342 1.00 70.11 H new ATOM 0 HB2 PRO A 61 14.247 -5.799 4.391 1.00 1.11 H new ATOM 0 HB3 PRO A 61 14.081 -5.402 6.090 1.00 1.11 H new ATOM 0 HG2 PRO A 61 12.804 -7.620 4.529 1.00 51.11 H new ATOM 0 HG3 PRO A 61 13.405 -7.629 6.175 1.00 51.11 H new ATOM 0 HD2 PRO A 61 10.749 -7.466 5.657 1.00 23.33 H new ATOM 0 HD3 PRO A 61 11.449 -6.651 7.041 1.00 23.33 H new ATOM 919 N GLN A 62 11.859 -5.406 2.559 1.00 44.40 N ATOM 920 CA GLN A 62 11.743 -5.178 1.113 1.00 4.05 C ATOM 921 C GLN A 62 10.881 -3.944 0.807 1.00 34.25 C ATOM 922 O GLN A 62 11.264 -3.086 -0.003 1.00 12.41 O ATOM 923 CB GLN A 62 11.170 -6.414 0.409 1.00 52.45 C ATOM 924 CG GLN A 62 12.025 -7.660 0.583 1.00 11.44 C ATOM 925 CD GLN A 62 11.572 -8.814 -0.293 1.00 44.35 C ATOM 926 OE1 GLN A 62 12.034 -8.974 -1.419 1.00 4.21 O ATOM 927 NE2 GLN A 62 10.655 -9.621 0.214 1.00 43.42 N ATOM 0 H GLN A 62 11.542 -6.322 2.876 1.00 44.40 H new ATOM 0 HA GLN A 62 12.747 -4.993 0.730 1.00 4.05 H new ATOM 0 HB2 GLN A 62 10.170 -6.612 0.795 1.00 52.45 H new ATOM 0 HB3 GLN A 62 11.064 -6.201 -0.655 1.00 52.45 H new ATOM 0 HG2 GLN A 62 13.062 -7.418 0.350 1.00 11.44 H new ATOM 0 HG3 GLN A 62 11.997 -7.971 1.627 1.00 11.44 H new ATOM 0 HE21 GLN A 62 10.294 -9.457 1.154 1.00 43.42 H new ATOM 0 HE22 GLN A 62 10.308 -10.408 -0.335 1.00 43.42 H new ATOM 936 N LEU A 63 9.730 -3.845 1.473 1.00 71.11 N ATOM 937 CA LEU A 63 8.797 -2.744 1.245 1.00 13.15 C ATOM 938 C LEU A 63 9.391 -1.430 1.728 1.00 41.02 C ATOM 939 O LEU A 63 9.299 -0.415 1.038 1.00 21.43 O ATOM 940 CB LEU A 63 7.446 -3.005 1.935 1.00 2.15 C ATOM 941 CG LEU A 63 6.590 -4.120 1.308 1.00 55.33 C ATOM 942 CD1 LEU A 63 5.298 -4.323 2.101 1.00 61.14 C ATOM 943 CD2 LEU A 63 6.282 -3.809 -0.157 1.00 42.14 C ATOM 0 H LEU A 63 9.422 -4.517 2.176 1.00 71.11 H new ATOM 0 HA LEU A 63 8.621 -2.675 0.172 1.00 13.15 H new ATOM 0 HB2 LEU A 63 7.633 -3.257 2.979 1.00 2.15 H new ATOM 0 HB3 LEU A 63 6.869 -2.080 1.929 1.00 2.15 H new ATOM 0 HG LEU A 63 7.162 -5.047 1.346 1.00 55.33 H new ATOM 0 HD11 LEU A 63 4.709 -5.116 1.640 1.00 61.14 H new ATOM 0 HD12 LEU A 63 5.540 -4.601 3.127 1.00 61.14 H new ATOM 0 HD13 LEU A 63 4.723 -3.397 2.102 1.00 61.14 H new ATOM 0 HD21 LEU A 63 5.676 -4.611 -0.580 1.00 42.14 H new ATOM 0 HD22 LEU A 63 5.736 -2.868 -0.222 1.00 42.14 H new ATOM 0 HD23 LEU A 63 7.215 -3.726 -0.715 1.00 42.14 H new ATOM 955 N GLU A 64 10.008 -1.448 2.909 1.00 55.22 N ATOM 956 CA GLU A 64 10.642 -0.248 3.452 1.00 54.25 C ATOM 957 C GLU A 64 11.794 0.202 2.554 1.00 22.43 C ATOM 958 O GLU A 64 12.038 1.400 2.398 1.00 2.11 O ATOM 959 CB GLU A 64 11.137 -0.476 4.890 1.00 44.12 C ATOM 960 CG GLU A 64 10.016 -0.771 5.885 1.00 54.22 C ATOM 961 CD GLU A 64 10.473 -0.686 7.335 1.00 1.55 C ATOM 962 OE1 GLU A 64 10.942 -1.706 7.884 1.00 11.11 O ATOM 963 OE2 GLU A 64 10.367 0.411 7.929 1.00 44.42 O ATOM 0 H GLU A 64 10.082 -2.273 3.504 1.00 55.22 H new ATOM 0 HA GLU A 64 9.891 0.541 3.480 1.00 54.25 H new ATOM 0 HB2 GLU A 64 11.843 -1.307 4.895 1.00 44.12 H new ATOM 0 HB3 GLU A 64 11.682 0.408 5.222 1.00 44.12 H new ATOM 0 HG2 GLU A 64 9.200 -0.066 5.725 1.00 54.22 H new ATOM 0 HG3 GLU A 64 9.619 -1.768 5.692 1.00 54.22 H new ATOM 970 N LYS A 65 12.477 -0.765 1.946 1.00 74.50 N ATOM 971 CA LYS A 65 13.561 -0.486 1.011 1.00 74.32 C ATOM 972 C LYS A 65 13.026 0.265 -0.205 1.00 53.54 C ATOM 973 O LYS A 65 13.505 1.354 -0.549 1.00 54.12 O ATOM 974 CB LYS A 65 14.224 -1.800 0.573 1.00 2.11 C ATOM 975 CG LYS A 65 15.181 -1.658 -0.608 1.00 2.02 C ATOM 976 CD LYS A 65 15.831 -2.991 -0.974 1.00 32.22 C ATOM 977 CE LYS A 65 14.796 -4.026 -1.412 1.00 5.41 C ATOM 978 NZ LYS A 65 15.413 -5.346 -1.699 1.00 73.02 N ATOM 0 H LYS A 65 12.295 -1.759 2.087 1.00 74.50 H new ATOM 0 HA LYS A 65 14.305 0.138 1.507 1.00 74.32 H new ATOM 0 HB2 LYS A 65 14.769 -2.218 1.419 1.00 2.11 H new ATOM 0 HB3 LYS A 65 13.445 -2.516 0.311 1.00 2.11 H new ATOM 0 HG2 LYS A 65 14.639 -1.269 -1.470 1.00 2.02 H new ATOM 0 HG3 LYS A 65 15.955 -0.931 -0.363 1.00 2.02 H new ATOM 0 HD2 LYS A 65 16.552 -2.836 -1.777 1.00 32.22 H new ATOM 0 HD3 LYS A 65 16.386 -3.372 -0.117 1.00 32.22 H new ATOM 0 HE2 LYS A 65 14.045 -4.140 -0.631 1.00 5.41 H new ATOM 0 HE3 LYS A 65 14.279 -3.667 -2.302 1.00 5.41 H new ATOM 0 HZ1 LYS A 65 14.675 -6.018 -1.993 1.00 73.02 H new ATOM 0 HZ2 LYS A 65 16.112 -5.244 -2.462 1.00 73.02 H new ATOM 0 HZ3 LYS A 65 15.885 -5.702 -0.843 1.00 73.02 H new ATOM 992 N LEU A 66 12.017 -0.317 -0.846 1.00 33.35 N ATOM 993 CA LEU A 66 11.412 0.306 -2.015 1.00 13.51 C ATOM 994 C LEU A 66 10.774 1.634 -1.630 1.00 73.24 C ATOM 995 O LEU A 66 10.784 2.586 -2.407 1.00 34.12 O ATOM 996 CB LEU A 66 10.372 -0.620 -2.658 1.00 1.44 C ATOM 997 CG LEU A 66 10.916 -1.956 -3.187 1.00 10.34 C ATOM 998 CD1 LEU A 66 9.880 -2.642 -4.069 1.00 23.43 C ATOM 999 CD2 LEU A 66 12.230 -1.753 -3.937 1.00 50.51 C ATOM 0 H LEU A 66 11.605 -1.211 -0.578 1.00 33.35 H new ATOM 0 HA LEU A 66 12.197 0.490 -2.748 1.00 13.51 H new ATOM 0 HB2 LEU A 66 9.594 -0.829 -1.924 1.00 1.44 H new ATOM 0 HB3 LEU A 66 9.898 -0.088 -3.483 1.00 1.44 H new ATOM 0 HG LEU A 66 11.119 -2.604 -2.335 1.00 10.34 H new ATOM 0 HD11 LEU A 66 10.282 -3.587 -4.435 1.00 23.43 H new ATOM 0 HD12 LEU A 66 8.977 -2.832 -3.489 1.00 23.43 H new ATOM 0 HD13 LEU A 66 9.639 -1.998 -4.915 1.00 23.43 H new ATOM 0 HD21 LEU A 66 12.593 -2.714 -4.301 1.00 50.51 H new ATOM 0 HD22 LEU A 66 12.067 -1.083 -4.781 1.00 50.51 H new ATOM 0 HD23 LEU A 66 12.969 -1.317 -3.265 1.00 50.51 H new ATOM 1011 N ALA A 67 10.239 1.693 -0.412 1.00 74.24 N ATOM 1012 CA ALA A 67 9.640 2.914 0.106 1.00 65.15 C ATOM 1013 C ALA A 67 10.687 4.019 0.182 1.00 44.05 C ATOM 1014 O ALA A 67 10.428 5.148 -0.204 1.00 2.20 O ATOM 1015 CB ALA A 67 9.012 2.676 1.476 1.00 72.44 C ATOM 0 H ALA A 67 10.210 0.904 0.234 1.00 74.24 H new ATOM 0 HA ALA A 67 8.849 3.225 -0.576 1.00 65.15 H new ATOM 0 HB1 ALA A 67 8.572 3.604 1.841 1.00 72.44 H new ATOM 0 HB2 ALA A 67 8.237 1.914 1.394 1.00 72.44 H new ATOM 0 HB3 ALA A 67 9.778 2.339 2.174 1.00 72.44 H new ATOM 1021 N GLN A 68 11.880 3.673 0.664 1.00 10.34 N ATOM 1022 CA GLN A 68 12.986 4.633 0.760 1.00 23.41 C ATOM 1023 C GLN A 68 13.403 5.113 -0.628 1.00 72.22 C ATOM 1024 O GLN A 68 13.545 6.314 -0.867 1.00 13.40 O ATOM 1025 CB GLN A 68 14.192 4.010 1.483 1.00 45.45 C ATOM 1026 CG GLN A 68 13.974 3.792 2.976 1.00 0.23 C ATOM 1027 CD GLN A 68 15.178 3.173 3.666 1.00 74.12 C ATOM 1028 OE1 GLN A 68 15.923 2.396 3.071 1.00 60.44 O ATOM 1029 NE2 GLN A 68 15.386 3.528 4.925 1.00 34.42 N ATOM 0 H GLN A 68 12.108 2.736 0.995 1.00 10.34 H new ATOM 0 HA GLN A 68 12.637 5.488 1.339 1.00 23.41 H new ATOM 0 HB2 GLN A 68 14.428 3.053 1.017 1.00 45.45 H new ATOM 0 HB3 GLN A 68 15.060 4.655 1.343 1.00 45.45 H new ATOM 0 HG2 GLN A 68 13.743 4.747 3.447 1.00 0.23 H new ATOM 0 HG3 GLN A 68 13.107 3.147 3.121 1.00 0.23 H new ATOM 0 HE21 GLN A 68 14.746 4.175 5.385 1.00 34.42 H new ATOM 0 HE22 GLN A 68 16.187 3.154 5.435 1.00 34.42 H new ATOM 1038 N GLN A 69 13.590 4.164 -1.537 1.00 62.53 N ATOM 1039 CA GLN A 69 14.007 4.467 -2.906 1.00 74.00 C ATOM 1040 C GLN A 69 12.966 5.333 -3.621 1.00 34.42 C ATOM 1041 O GLN A 69 13.301 6.308 -4.296 1.00 44.01 O ATOM 1042 CB GLN A 69 14.226 3.157 -3.685 1.00 34.15 C ATOM 1043 CG GLN A 69 14.568 3.342 -5.165 1.00 64.22 C ATOM 1044 CD GLN A 69 15.858 4.109 -5.392 1.00 45.30 C ATOM 1045 OE1 GLN A 69 15.855 5.337 -5.508 1.00 13.34 O ATOM 1046 NE2 GLN A 69 16.967 3.394 -5.451 1.00 45.13 N ATOM 0 H GLN A 69 13.459 3.170 -1.351 1.00 62.53 H new ATOM 0 HA GLN A 69 14.942 5.026 -2.864 1.00 74.00 H new ATOM 0 HB2 GLN A 69 15.030 2.597 -3.208 1.00 34.15 H new ATOM 0 HB3 GLN A 69 13.324 2.549 -3.608 1.00 34.15 H new ATOM 0 HG2 GLN A 69 14.648 2.363 -5.637 1.00 64.22 H new ATOM 0 HG3 GLN A 69 13.750 3.868 -5.657 1.00 64.22 H new ATOM 0 HE21 GLN A 69 16.926 2.380 -5.350 1.00 45.13 H new ATOM 0 HE22 GLN A 69 17.865 3.856 -5.597 1.00 45.13 H new ATOM 1055 N TYR A 70 11.700 4.982 -3.441 1.00 24.41 N ATOM 1056 CA TYR A 70 10.603 5.547 -4.225 1.00 54.44 C ATOM 1057 C TYR A 70 9.772 6.569 -3.442 1.00 43.20 C ATOM 1058 O TYR A 70 8.764 7.033 -3.944 1.00 44.03 O ATOM 1059 CB TYR A 70 9.705 4.424 -4.762 1.00 43.11 C ATOM 1060 CG TYR A 70 10.423 3.492 -5.722 1.00 55.04 C ATOM 1061 CD1 TYR A 70 10.863 3.946 -6.963 1.00 34.02 C ATOM 1062 CD2 TYR A 70 10.666 2.164 -5.388 1.00 32.23 C ATOM 1063 CE1 TYR A 70 11.524 3.105 -7.837 1.00 55.24 C ATOM 1064 CE2 TYR A 70 11.326 1.318 -6.260 1.00 63.14 C ATOM 1065 CZ TYR A 70 11.754 1.794 -7.482 1.00 55.53 C ATOM 1066 OH TYR A 70 12.419 0.959 -8.351 1.00 23.12 O ATOM 0 H TYR A 70 11.401 4.297 -2.747 1.00 24.41 H new ATOM 0 HA TYR A 70 11.053 6.086 -5.058 1.00 54.44 H new ATOM 0 HB2 TYR A 70 9.318 3.844 -3.924 1.00 43.11 H new ATOM 0 HB3 TYR A 70 8.846 4.865 -5.268 1.00 43.11 H new ATOM 0 HD1 TYR A 70 10.684 4.973 -7.247 1.00 34.02 H new ATOM 0 HD2 TYR A 70 10.334 1.787 -4.432 1.00 32.23 H new ATOM 0 HE1 TYR A 70 11.859 3.474 -8.795 1.00 55.24 H new ATOM 0 HE2 TYR A 70 11.506 0.289 -5.986 1.00 63.14 H new ATOM 0 HH TYR A 70 12.712 0.155 -7.873 1.00 23.12 H new ATOM 1076 N THR A 71 10.192 6.908 -2.226 1.00 61.54 N ATOM 1077 CA THR A 71 9.378 7.711 -1.291 1.00 50.52 C ATOM 1078 C THR A 71 8.867 9.028 -1.902 1.00 13.12 C ATOM 1079 O THR A 71 7.855 9.569 -1.446 1.00 71.13 O ATOM 1080 CB THR A 71 10.193 8.045 -0.012 1.00 35.14 C ATOM 1081 OG1 THR A 71 9.379 8.750 0.938 1.00 61.31 O ATOM 1082 CG2 THR A 71 11.430 8.879 -0.345 1.00 33.51 C ATOM 0 H THR A 71 11.102 6.639 -1.853 1.00 61.54 H new ATOM 0 HA THR A 71 8.511 7.096 -1.050 1.00 50.52 H new ATOM 0 HB THR A 71 10.518 7.101 0.425 1.00 35.14 H new ATOM 0 HG1 THR A 71 9.909 8.951 1.738 1.00 61.31 H new ATOM 0 HG21 THR A 71 11.980 9.097 0.571 1.00 33.51 H new ATOM 0 HG22 THR A 71 12.071 8.322 -1.029 1.00 33.51 H new ATOM 0 HG23 THR A 71 11.123 9.814 -0.815 1.00 33.51 H new ATOM 1090 N GLU A 72 9.543 9.535 -2.929 1.00 52.13 N ATOM 1091 CA GLU A 72 9.144 10.794 -3.565 1.00 20.53 C ATOM 1092 C GLU A 72 7.884 10.612 -4.419 1.00 54.23 C ATOM 1093 O GLU A 72 7.204 11.583 -4.757 1.00 44.02 O ATOM 1094 CB GLU A 72 10.292 11.336 -4.426 1.00 73.23 C ATOM 1095 CG GLU A 72 11.541 11.688 -3.624 1.00 2.23 C ATOM 1096 CD GLU A 72 12.731 12.016 -4.508 1.00 34.45 C ATOM 1097 OE1 GLU A 72 12.860 13.184 -4.936 1.00 24.14 O ATOM 1098 OE2 GLU A 72 13.544 11.107 -4.780 1.00 42.10 O ATOM 0 H GLU A 72 10.368 9.098 -3.340 1.00 52.13 H new ATOM 0 HA GLU A 72 8.915 11.512 -2.778 1.00 20.53 H new ATOM 0 HB2 GLU A 72 10.552 10.593 -5.180 1.00 73.23 H new ATOM 0 HB3 GLU A 72 9.949 12.224 -4.957 1.00 73.23 H new ATOM 0 HG2 GLU A 72 11.326 12.541 -2.980 1.00 2.23 H new ATOM 0 HG3 GLU A 72 11.797 10.853 -2.972 1.00 2.23 H new ATOM 1105 N ASN A 73 7.592 9.362 -4.767 1.00 15.41 N ATOM 1106 CA ASN A 73 6.445 9.021 -5.617 1.00 14.13 C ATOM 1107 C ASN A 73 5.608 7.896 -4.994 1.00 22.02 C ATOM 1108 O ASN A 73 4.547 7.551 -5.510 1.00 63.10 O ATOM 1109 CB ASN A 73 6.932 8.578 -7.011 1.00 0.34 C ATOM 1110 CG ASN A 73 7.722 9.652 -7.748 1.00 54.23 C ATOM 1111 OD1 ASN A 73 7.458 10.846 -7.608 1.00 44.11 O ATOM 1112 ND2 ASN A 73 8.703 9.233 -8.537 1.00 63.15 N ATOM 0 H ASN A 73 8.140 8.555 -4.470 1.00 15.41 H new ATOM 0 HA ASN A 73 5.822 9.911 -5.708 1.00 14.13 H new ATOM 0 HB2 ASN A 73 7.554 7.689 -6.904 1.00 0.34 H new ATOM 0 HB3 ASN A 73 6.070 8.293 -7.615 1.00 0.34 H new ATOM 0 HD21 ASN A 73 9.267 9.909 -9.052 1.00 63.15 H new ATOM 0 HD22 ASN A 73 8.893 8.235 -8.628 1.00 63.15 H new ATOM 1119 N VAL A 74 6.098 7.321 -3.896 1.00 14.55 N ATOM 1120 CA VAL A 74 5.464 6.162 -3.261 1.00 4.43 C ATOM 1121 C VAL A 74 5.250 6.389 -1.768 1.00 41.54 C ATOM 1122 O VAL A 74 6.111 6.938 -1.079 1.00 14.31 O ATOM 1123 CB VAL A 74 6.323 4.876 -3.454 1.00 13.14 C ATOM 1124 CG1 VAL A 74 5.872 3.740 -2.534 1.00 13.31 C ATOM 1125 CG2 VAL A 74 6.297 4.422 -4.911 1.00 53.21 C ATOM 0 H VAL A 74 6.942 7.643 -3.422 1.00 14.55 H new ATOM 0 HA VAL A 74 4.496 6.031 -3.745 1.00 4.43 H new ATOM 0 HB VAL A 74 7.347 5.131 -3.182 1.00 13.14 H new ATOM 0 HG11 VAL A 74 6.499 2.864 -2.703 1.00 13.31 H new ATOM 0 HG12 VAL A 74 5.963 4.056 -1.495 1.00 13.31 H new ATOM 0 HG13 VAL A 74 4.833 3.489 -2.748 1.00 13.31 H new ATOM 0 HG21 VAL A 74 6.903 3.523 -5.023 1.00 53.21 H new ATOM 0 HG22 VAL A 74 5.270 4.207 -5.207 1.00 53.21 H new ATOM 0 HG23 VAL A 74 6.699 5.212 -5.545 1.00 53.21 H new ATOM 1135 N LYS A 75 4.086 5.970 -1.285 1.00 34.43 N ATOM 1136 CA LYS A 75 3.790 5.921 0.143 1.00 21.53 C ATOM 1137 C LYS A 75 3.098 4.601 0.463 1.00 23.25 C ATOM 1138 O LYS A 75 2.112 4.246 -0.180 1.00 62.15 O ATOM 1139 CB LYS A 75 2.896 7.099 0.569 1.00 32.32 C ATOM 1140 CG LYS A 75 2.419 7.012 2.023 1.00 72.52 C ATOM 1141 CD LYS A 75 3.573 7.040 3.026 1.00 3.03 C ATOM 1142 CE LYS A 75 4.077 8.457 3.285 1.00 45.52 C ATOM 1143 NZ LYS A 75 3.061 9.286 3.988 1.00 74.11 N ATOM 0 H LYS A 75 3.317 5.653 -1.875 1.00 34.43 H new ATOM 0 HA LYS A 75 4.726 5.996 0.696 1.00 21.53 H new ATOM 0 HB2 LYS A 75 3.446 8.030 0.431 1.00 32.32 H new ATOM 0 HB3 LYS A 75 2.027 7.141 -0.088 1.00 32.32 H new ATOM 0 HG2 LYS A 75 1.743 7.842 2.230 1.00 72.52 H new ATOM 0 HG3 LYS A 75 1.847 6.094 2.159 1.00 72.52 H new ATOM 0 HD2 LYS A 75 3.246 6.595 3.966 1.00 3.03 H new ATOM 0 HD3 LYS A 75 4.393 6.427 2.651 1.00 3.03 H new ATOM 0 HE2 LYS A 75 4.988 8.415 3.882 1.00 45.52 H new ATOM 0 HE3 LYS A 75 4.338 8.929 2.338 1.00 45.52 H new ATOM 0 HZ1 LYS A 75 3.486 10.194 4.266 1.00 74.11 H new ATOM 0 HZ2 LYS A 75 2.256 9.460 3.353 1.00 74.11 H new ATOM 0 HZ3 LYS A 75 2.730 8.784 4.837 1.00 74.11 H new ATOM 1157 N ILE A 76 3.619 3.871 1.446 1.00 61.31 N ATOM 1158 CA ILE A 76 3.025 2.599 1.846 1.00 71.32 C ATOM 1159 C ILE A 76 2.453 2.702 3.256 1.00 73.45 C ATOM 1160 O ILE A 76 3.187 2.909 4.224 1.00 60.24 O ATOM 1161 CB ILE A 76 4.049 1.435 1.799 1.00 25.51 C ATOM 1162 CG1 ILE A 76 4.751 1.386 0.429 1.00 40.31 C ATOM 1163 CG2 ILE A 76 3.357 0.101 2.101 1.00 54.14 C ATOM 1164 CD1 ILE A 76 5.812 0.308 0.317 1.00 62.12 C ATOM 0 H ILE A 76 4.448 4.137 1.978 1.00 61.31 H new ATOM 0 HA ILE A 76 2.229 2.382 1.133 1.00 71.32 H new ATOM 0 HB ILE A 76 4.806 1.610 2.563 1.00 25.51 H new ATOM 0 HG12 ILE A 76 4.002 1.226 -0.346 1.00 40.31 H new ATOM 0 HG13 ILE A 76 5.210 2.355 0.233 1.00 40.31 H new ATOM 0 HG21 ILE A 76 4.089 -0.705 2.064 1.00 54.14 H new ATOM 0 HG22 ILE A 76 2.910 0.140 3.094 1.00 54.14 H new ATOM 0 HG23 ILE A 76 2.579 -0.081 1.360 1.00 54.14 H new ATOM 0 HD11 ILE A 76 6.259 0.339 -0.677 1.00 62.12 H new ATOM 0 HD12 ILE A 76 6.584 0.478 1.068 1.00 62.12 H new ATOM 0 HD13 ILE A 76 5.357 -0.669 0.480 1.00 62.12 H new ATOM 1176 N TYR A 77 1.139 2.585 3.353 1.00 45.34 N ATOM 1177 CA TYR A 77 0.450 2.561 4.633 1.00 73.53 C ATOM 1178 C TYR A 77 0.253 1.118 5.089 1.00 35.20 C ATOM 1179 O TYR A 77 0.426 0.180 4.304 1.00 2.15 O ATOM 1180 CB TYR A 77 -0.909 3.259 4.521 1.00 22.13 C ATOM 1181 CG TYR A 77 -0.828 4.729 4.143 1.00 42.31 C ATOM 1182 CD1 TYR A 77 -0.579 5.702 5.104 1.00 34.33 C ATOM 1183 CD2 TYR A 77 -1.015 5.145 2.831 1.00 0.20 C ATOM 1184 CE1 TYR A 77 -0.515 7.039 4.766 1.00 60.31 C ATOM 1185 CE2 TYR A 77 -0.951 6.484 2.489 1.00 44.40 C ATOM 1186 CZ TYR A 77 -0.702 7.426 3.462 1.00 45.40 C ATOM 1187 OH TYR A 77 -0.634 8.762 3.131 1.00 45.23 O ATOM 0 H TYR A 77 0.520 2.504 2.547 1.00 45.34 H new ATOM 0 HA TYR A 77 1.057 3.091 5.366 1.00 73.53 H new ATOM 0 HB2 TYR A 77 -1.512 2.737 3.778 1.00 22.13 H new ATOM 0 HB3 TYR A 77 -1.430 3.169 5.474 1.00 22.13 H new ATOM 0 HD1 TYR A 77 -0.433 5.407 6.133 1.00 34.33 H new ATOM 0 HD2 TYR A 77 -1.214 4.410 2.065 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -0.318 7.780 5.527 1.00 60.31 H new ATOM 0 HE2 TYR A 77 -1.096 6.789 1.463 1.00 44.40 H new ATOM 0 HH TYR A 77 -1.487 9.046 2.741 1.00 45.23 H new ATOM 1197 N LYS A 78 -0.124 0.944 6.350 1.00 10.44 N ATOM 1198 CA LYS A 78 -0.321 -0.381 6.924 1.00 13.42 C ATOM 1199 C LYS A 78 -1.477 -0.333 7.925 1.00 65.04 C ATOM 1200 O LYS A 78 -1.625 0.652 8.659 1.00 22.53 O ATOM 1201 CB LYS A 78 0.969 -0.838 7.624 1.00 22.32 C ATOM 1202 CG LYS A 78 1.161 -2.352 7.688 1.00 34.42 C ATOM 1203 CD LYS A 78 2.464 -2.711 8.405 1.00 3.04 C ATOM 1204 CE LYS A 78 2.790 -4.198 8.314 1.00 23.22 C ATOM 1205 NZ LYS A 78 3.197 -4.606 6.942 1.00 41.01 N ATOM 0 H LYS A 78 -0.301 1.711 6.999 1.00 10.44 H new ATOM 0 HA LYS A 78 -0.563 -1.091 6.133 1.00 13.42 H new ATOM 0 HB2 LYS A 78 1.822 -0.399 7.106 1.00 22.32 H new ATOM 0 HB3 LYS A 78 0.975 -0.442 8.639 1.00 22.32 H new ATOM 0 HG2 LYS A 78 0.318 -2.807 8.209 1.00 34.42 H new ATOM 0 HG3 LYS A 78 1.172 -2.763 6.679 1.00 34.42 H new ATOM 0 HD2 LYS A 78 3.283 -2.136 7.973 1.00 3.04 H new ATOM 0 HD3 LYS A 78 2.390 -2.422 9.453 1.00 3.04 H new ATOM 0 HE2 LYS A 78 3.592 -4.435 9.014 1.00 23.22 H new ATOM 0 HE3 LYS A 78 1.919 -4.778 8.619 1.00 23.22 H new ATOM 0 HZ1 LYS A 78 3.899 -5.371 7.001 1.00 41.01 H new ATOM 0 HZ2 LYS A 78 2.364 -4.941 6.418 1.00 41.01 H new ATOM 0 HZ3 LYS A 78 3.613 -3.792 6.447 1.00 41.01 H new ATOM 1219 N ILE A 79 -2.299 -1.379 7.943 1.00 53.32 N ATOM 1220 CA ILE A 79 -3.419 -1.455 8.878 1.00 0.41 C ATOM 1221 C ILE A 79 -2.918 -1.506 10.324 1.00 71.31 C ATOM 1222 O ILE A 79 -2.332 -2.497 10.762 1.00 30.10 O ATOM 1223 CB ILE A 79 -4.344 -2.672 8.588 1.00 41.22 C ATOM 1224 CG1 ILE A 79 -5.477 -2.759 9.633 1.00 62.13 C ATOM 1225 CG2 ILE A 79 -3.542 -3.973 8.536 1.00 2.21 C ATOM 1226 CD1 ILE A 79 -6.434 -3.916 9.413 1.00 5.21 C ATOM 0 H ILE A 79 -2.211 -2.184 7.323 1.00 53.32 H new ATOM 0 HA ILE A 79 -4.011 -0.550 8.738 1.00 0.41 H new ATOM 0 HB ILE A 79 -4.799 -2.524 7.608 1.00 41.22 H new ATOM 0 HG12 ILE A 79 -5.035 -2.850 10.625 1.00 62.13 H new ATOM 0 HG13 ILE A 79 -6.042 -1.827 9.620 1.00 62.13 H new ATOM 0 HG21 ILE A 79 -4.214 -4.807 8.332 1.00 2.21 H new ATOM 0 HG22 ILE A 79 -2.794 -3.908 7.746 1.00 2.21 H new ATOM 0 HG23 ILE A 79 -3.046 -4.133 9.493 1.00 2.21 H new ATOM 0 HD11 ILE A 79 -7.200 -3.907 10.188 1.00 5.21 H new ATOM 0 HD12 ILE A 79 -6.906 -3.817 8.436 1.00 5.21 H new ATOM 0 HD13 ILE A 79 -5.884 -4.856 9.457 1.00 5.21 H new ATOM 1238 N ASN A 80 -3.126 -0.411 11.045 1.00 55.44 N ATOM 1239 CA ASN A 80 -2.734 -0.312 12.449 1.00 50.24 C ATOM 1240 C ASN A 80 -3.867 -0.786 13.349 1.00 52.12 C ATOM 1241 O ASN A 80 -3.684 -1.653 14.205 1.00 32.32 O ATOM 1242 CB ASN A 80 -2.380 1.139 12.791 1.00 51.35 C ATOM 1243 CG ASN A 80 -1.974 1.329 14.244 1.00 2.23 C ATOM 1244 OD1 ASN A 80 -1.388 0.441 14.863 1.00 45.32 O ATOM 1245 ND2 ASN A 80 -2.289 2.489 14.796 1.00 74.24 N ATOM 0 H ASN A 80 -3.569 0.431 10.677 1.00 55.44 H new ATOM 0 HA ASN A 80 -1.862 -0.946 12.613 1.00 50.24 H new ATOM 0 HB2 ASN A 80 -1.565 1.469 12.147 1.00 51.35 H new ATOM 0 HB3 ASN A 80 -3.237 1.776 12.573 1.00 51.35 H new ATOM 0 HD21 ASN A 80 -2.046 2.673 15.769 1.00 74.24 H new ATOM 0 HD22 ASN A 80 -2.775 3.199 14.248 1.00 74.24 H new ATOM 1252 N ILE A 81 -5.044 -0.206 13.136 1.00 3.01 N ATOM 1253 CA ILE A 81 -6.213 -0.504 13.952 1.00 12.14 C ATOM 1254 C ILE A 81 -6.780 -1.884 13.602 1.00 15.44 C ATOM 1255 O ILE A 81 -7.292 -2.089 12.501 1.00 30.42 O ATOM 1256 CB ILE A 81 -7.310 0.580 13.762 1.00 25.04 C ATOM 1257 CG1 ILE A 81 -6.741 1.980 14.066 1.00 50.32 C ATOM 1258 CG2 ILE A 81 -8.529 0.295 14.638 1.00 72.13 C ATOM 1259 CD1 ILE A 81 -6.209 2.143 15.478 1.00 32.32 C ATOM 0 H ILE A 81 -5.213 0.478 12.399 1.00 3.01 H new ATOM 0 HA ILE A 81 -5.900 -0.506 14.996 1.00 12.14 H new ATOM 0 HB ILE A 81 -7.633 0.552 12.721 1.00 25.04 H new ATOM 0 HG12 ILE A 81 -5.938 2.195 13.360 1.00 50.32 H new ATOM 0 HG13 ILE A 81 -7.521 2.722 13.896 1.00 50.32 H new ATOM 0 HG21 ILE A 81 -9.278 1.071 14.482 1.00 72.13 H new ATOM 0 HG22 ILE A 81 -8.950 -0.675 14.372 1.00 72.13 H new ATOM 0 HG23 ILE A 81 -8.230 0.285 15.686 1.00 72.13 H new ATOM 0 HD11 ILE A 81 -5.828 3.156 15.608 1.00 32.32 H new ATOM 0 HD12 ILE A 81 -7.012 1.963 16.192 1.00 32.32 H new ATOM 0 HD13 ILE A 81 -5.405 1.428 15.649 1.00 32.32 H new ATOM 1271 N GLU A 82 -6.677 -2.817 14.545 1.00 54.12 N ATOM 1272 CA GLU A 82 -7.192 -4.180 14.375 1.00 40.32 C ATOM 1273 C GLU A 82 -8.700 -4.152 14.124 1.00 43.54 C ATOM 1274 O GLU A 82 -9.256 -5.011 13.433 1.00 73.23 O ATOM 1275 CB GLU A 82 -6.880 -5.006 15.634 1.00 10.05 C ATOM 1276 CG GLU A 82 -7.347 -6.458 15.578 1.00 4.53 C ATOM 1277 CD GLU A 82 -6.639 -7.261 14.499 1.00 21.44 C ATOM 1278 OE1 GLU A 82 -5.434 -7.543 14.668 1.00 60.32 O ATOM 1279 OE2 GLU A 82 -7.285 -7.616 13.491 1.00 15.24 O ATOM 0 H GLU A 82 -6.235 -2.653 15.450 1.00 54.12 H new ATOM 0 HA GLU A 82 -6.708 -4.639 13.513 1.00 40.32 H new ATOM 0 HB2 GLU A 82 -5.803 -4.991 15.804 1.00 10.05 H new ATOM 0 HB3 GLU A 82 -7.345 -4.522 16.493 1.00 10.05 H new ATOM 0 HG2 GLU A 82 -7.175 -6.928 16.546 1.00 4.53 H new ATOM 0 HG3 GLU A 82 -8.422 -6.483 15.397 1.00 4.53 H new ATOM 1286 N ASP A 83 -9.355 -3.143 14.687 1.00 43.24 N ATOM 1287 CA ASP A 83 -10.795 -2.964 14.517 1.00 24.02 C ATOM 1288 C ASP A 83 -11.113 -2.504 13.094 1.00 62.50 C ATOM 1289 O ASP A 83 -12.218 -2.711 12.591 1.00 41.45 O ATOM 1290 CB ASP A 83 -11.326 -1.940 15.533 1.00 44.03 C ATOM 1291 CG ASP A 83 -12.835 -1.756 15.443 1.00 44.13 C ATOM 1292 OD1 ASP A 83 -13.574 -2.535 16.082 1.00 44.14 O ATOM 1293 OD2 ASP A 83 -13.287 -0.836 14.731 1.00 12.22 O ATOM 0 H ASP A 83 -8.910 -2.432 15.268 1.00 43.24 H new ATOM 0 HA ASP A 83 -11.285 -3.922 14.691 1.00 24.02 H new ATOM 0 HB2 ASP A 83 -11.062 -2.262 16.540 1.00 44.03 H new ATOM 0 HB3 ASP A 83 -10.836 -0.981 15.367 1.00 44.03 H new ATOM 1298 N ASN A 84 -10.120 -1.909 12.436 1.00 12.13 N ATOM 1299 CA ASN A 84 -10.291 -1.371 11.085 1.00 35.24 C ATOM 1300 C ASN A 84 -9.989 -2.441 10.034 1.00 31.21 C ATOM 1301 O ASN A 84 -9.283 -2.199 9.056 1.00 3.40 O ATOM 1302 CB ASN A 84 -9.383 -0.151 10.863 1.00 1.54 C ATOM 1303 CG ASN A 84 -9.576 0.473 9.486 1.00 20.15 C ATOM 1304 OD1 ASN A 84 -10.678 0.473 8.940 1.00 64.51 O ATOM 1305 ND2 ASN A 84 -8.501 0.988 8.906 1.00 72.34 N ATOM 0 H ASN A 84 -9.182 -1.786 12.818 1.00 12.13 H new ATOM 0 HA ASN A 84 -11.330 -1.058 10.980 1.00 35.24 H new ATOM 0 HB2 ASN A 84 -9.589 0.596 11.630 1.00 1.54 H new ATOM 0 HB3 ASN A 84 -8.342 -0.450 10.981 1.00 1.54 H new ATOM 0 HD21 ASN A 84 -8.572 1.402 7.976 1.00 72.34 H new ATOM 0 HD22 ASN A 84 -7.603 0.970 9.389 1.00 72.34 H new ATOM 1312 N GLN A 85 -10.516 -3.636 10.243 1.00 33.11 N ATOM 1313 CA GLN A 85 -10.445 -4.672 9.223 1.00 23.23 C ATOM 1314 C GLN A 85 -11.659 -4.552 8.310 1.00 62.24 C ATOM 1315 O GLN A 85 -11.743 -5.207 7.272 1.00 35.03 O ATOM 1316 CB GLN A 85 -10.361 -6.059 9.863 1.00 72.32 C ATOM 1317 CG GLN A 85 -11.580 -6.449 10.686 1.00 5.24 C ATOM 1318 CD GLN A 85 -11.350 -7.702 11.518 1.00 30.51 C ATOM 1319 OE1 GLN A 85 -12.274 -8.482 11.753 1.00 0.21 O ATOM 1320 NE2 GLN A 85 -10.118 -7.899 11.978 1.00 0.40 N ATOM 0 H GLN A 85 -10.994 -3.912 11.101 1.00 33.11 H new ATOM 0 HA GLN A 85 -9.541 -4.539 8.629 1.00 23.23 H new ATOM 0 HB2 GLN A 85 -10.217 -6.800 9.077 1.00 72.32 H new ATOM 0 HB3 GLN A 85 -9.479 -6.097 10.502 1.00 72.32 H new ATOM 0 HG2 GLN A 85 -11.847 -5.624 11.346 1.00 5.24 H new ATOM 0 HG3 GLN A 85 -12.427 -6.611 10.019 1.00 5.24 H new ATOM 0 HE21 GLN A 85 -9.380 -7.230 11.761 1.00 0.40 H new ATOM 0 HE22 GLN A 85 -9.911 -8.720 12.547 1.00 0.40 H new ATOM 1329 N ASP A 86 -12.584 -3.671 8.704 1.00 50.44 N ATOM 1330 CA ASP A 86 -13.789 -3.391 7.923 1.00 3.44 C ATOM 1331 C ASP A 86 -13.434 -3.130 6.465 1.00 2.24 C ATOM 1332 O ASP A 86 -13.987 -3.758 5.564 1.00 43.32 O ATOM 1333 CB ASP A 86 -14.540 -2.184 8.503 1.00 21.24 C ATOM 1334 CG ASP A 86 -15.699 -1.736 7.621 1.00 44.24 C ATOM 1335 OD1 ASP A 86 -16.707 -2.472 7.529 1.00 21.12 O ATOM 1336 OD2 ASP A 86 -15.602 -0.652 7.000 1.00 21.33 O ATOM 0 H ASP A 86 -12.518 -3.135 9.569 1.00 50.44 H new ATOM 0 HA ASP A 86 -14.437 -4.266 7.975 1.00 3.44 H new ATOM 0 HB2 ASP A 86 -14.919 -2.438 9.493 1.00 21.24 H new ATOM 0 HB3 ASP A 86 -13.844 -1.355 8.631 1.00 21.24 H new ATOM 1341 N VAL A 87 -12.483 -2.221 6.250 1.00 42.42 N ATOM 1342 CA VAL A 87 -12.001 -1.891 4.950 1.00 62.40 C ATOM 1343 C VAL A 87 -11.522 -3.137 4.197 1.00 60.52 C ATOM 1344 O VAL A 87 -11.689 -3.239 2.980 1.00 4.23 O ATOM 1345 CB VAL A 87 -10.864 -0.869 5.098 1.00 5.23 C ATOM 1346 CG1 VAL A 87 -11.378 0.443 5.695 1.00 43.20 C ATOM 1347 CG2 VAL A 87 -9.705 -1.431 5.923 1.00 12.02 C ATOM 0 H VAL A 87 -12.032 -1.697 7.000 1.00 42.42 H new ATOM 0 HA VAL A 87 -12.812 -1.461 4.363 1.00 62.40 H new ATOM 0 HB VAL A 87 -10.482 -0.659 4.099 1.00 5.23 H new ATOM 0 HG11 VAL A 87 -10.552 1.148 5.789 1.00 43.20 H new ATOM 0 HG12 VAL A 87 -12.143 0.864 5.043 1.00 43.20 H new ATOM 0 HG13 VAL A 87 -11.805 0.252 6.679 1.00 43.20 H new ATOM 0 HG21 VAL A 87 -8.920 -0.680 6.006 1.00 12.02 H new ATOM 0 HG22 VAL A 87 -10.062 -1.695 6.919 1.00 12.02 H new ATOM 0 HG23 VAL A 87 -9.307 -2.319 5.433 1.00 12.02 H new ATOM 1357 N ALA A 88 -10.962 -4.100 4.932 1.00 61.15 N ATOM 1358 CA ALA A 88 -10.485 -5.339 4.333 1.00 72.00 C ATOM 1359 C ALA A 88 -11.670 -6.129 3.791 1.00 65.11 C ATOM 1360 O ALA A 88 -11.621 -6.676 2.690 1.00 5.22 O ATOM 1361 CB ALA A 88 -9.699 -6.160 5.355 1.00 43.43 C ATOM 0 H ALA A 88 -10.830 -4.042 5.942 1.00 61.15 H new ATOM 0 HA ALA A 88 -9.812 -5.106 3.508 1.00 72.00 H new ATOM 0 HB1 ALA A 88 -9.350 -7.082 4.890 1.00 43.43 H new ATOM 0 HB2 ALA A 88 -8.843 -5.583 5.704 1.00 43.43 H new ATOM 0 HB3 ALA A 88 -10.343 -6.401 6.201 1.00 43.43 H new ATOM 1367 N THR A 89 -12.749 -6.149 4.565 1.00 2.41 N ATOM 1368 CA THR A 89 -13.973 -6.830 4.169 1.00 3.55 C ATOM 1369 C THR A 89 -14.665 -6.080 3.021 1.00 15.14 C ATOM 1370 O THR A 89 -15.335 -6.685 2.182 1.00 55.24 O ATOM 1371 CB THR A 89 -14.936 -6.954 5.375 1.00 21.30 C ATOM 1372 OG1 THR A 89 -14.219 -7.453 6.514 1.00 3.40 O ATOM 1373 CG2 THR A 89 -16.104 -7.888 5.067 1.00 43.20 C ATOM 0 H THR A 89 -12.799 -5.697 5.478 1.00 2.41 H new ATOM 0 HA THR A 89 -13.709 -7.829 3.823 1.00 3.55 H new ATOM 0 HB THR A 89 -15.338 -5.963 5.586 1.00 21.30 H new ATOM 0 HG1 THR A 89 -14.829 -7.529 7.277 1.00 3.40 H new ATOM 0 HG21 THR A 89 -16.759 -7.951 5.936 1.00 43.20 H new ATOM 0 HG22 THR A 89 -16.665 -7.500 4.217 1.00 43.20 H new ATOM 0 HG23 THR A 89 -15.723 -8.881 4.828 1.00 43.20 H new ATOM 1381 N GLN A 90 -14.479 -4.757 2.983 1.00 63.21 N ATOM 1382 CA GLN A 90 -15.087 -3.915 1.949 1.00 2.23 C ATOM 1383 C GLN A 90 -14.434 -4.155 0.586 1.00 55.34 C ATOM 1384 O GLN A 90 -15.120 -4.349 -0.418 1.00 23.03 O ATOM 1385 CB GLN A 90 -14.970 -2.426 2.318 1.00 43.51 C ATOM 1386 CG GLN A 90 -15.657 -2.046 3.625 1.00 32.23 C ATOM 1387 CD GLN A 90 -17.147 -2.343 3.626 1.00 43.43 C ATOM 1388 OE1 GLN A 90 -17.803 -2.325 2.584 1.00 24.23 O ATOM 1389 NE2 GLN A 90 -17.697 -2.603 4.800 1.00 10.51 N ATOM 0 H GLN A 90 -13.911 -4.245 3.658 1.00 63.21 H new ATOM 0 HA GLN A 90 -16.141 -4.187 1.886 1.00 2.23 H new ATOM 0 HB2 GLN A 90 -13.914 -2.163 2.386 1.00 43.51 H new ATOM 0 HB3 GLN A 90 -15.396 -1.830 1.511 1.00 43.51 H new ATOM 0 HG2 GLN A 90 -15.185 -2.585 4.446 1.00 32.23 H new ATOM 0 HG3 GLN A 90 -15.505 -0.983 3.812 1.00 32.23 H new ATOM 0 HE21 GLN A 90 -17.122 -2.609 5.642 1.00 10.51 H new ATOM 0 HE22 GLN A 90 -18.696 -2.797 4.863 1.00 10.51 H new ATOM 1398 N TYR A 91 -13.103 -4.132 0.556 1.00 23.12 N ATOM 1399 CA TYR A 91 -12.357 -4.294 -0.695 1.00 60.24 C ATOM 1400 C TYR A 91 -12.195 -5.769 -1.062 1.00 73.42 C ATOM 1401 O TYR A 91 -12.027 -6.115 -2.236 1.00 71.12 O ATOM 1402 CB TYR A 91 -10.990 -3.605 -0.598 1.00 11.42 C ATOM 1403 CG TYR A 91 -11.082 -2.090 -0.482 1.00 73.31 C ATOM 1404 CD1 TYR A 91 -11.454 -1.311 -1.577 1.00 14.23 C ATOM 1405 CD2 TYR A 91 -10.812 -1.441 0.719 1.00 51.52 C ATOM 1406 CE1 TYR A 91 -11.544 0.066 -1.477 1.00 0.23 C ATOM 1407 CE2 TYR A 91 -10.902 -0.065 0.824 1.00 72.33 C ATOM 1408 CZ TYR A 91 -11.270 0.683 -0.276 1.00 24.33 C ATOM 1409 OH TYR A 91 -11.361 2.052 -0.174 1.00 3.03 O ATOM 0 H TYR A 91 -12.518 -4.003 1.381 1.00 23.12 H new ATOM 0 HA TYR A 91 -12.931 -3.818 -1.490 1.00 60.24 H new ATOM 0 HB2 TYR A 91 -10.455 -3.996 0.267 1.00 11.42 H new ATOM 0 HB3 TYR A 91 -10.400 -3.859 -1.479 1.00 11.42 H new ATOM 0 HD1 TYR A 91 -11.676 -1.791 -2.519 1.00 14.23 H new ATOM 0 HD2 TYR A 91 -10.527 -2.022 1.584 1.00 51.52 H new ATOM 0 HE1 TYR A 91 -11.828 0.655 -2.337 1.00 0.23 H new ATOM 0 HE2 TYR A 91 -10.685 0.422 1.763 1.00 72.33 H new ATOM 0 HH TYR A 91 -11.612 2.296 0.741 1.00 3.03 H new ATOM 1419 N GLY A 92 -12.250 -6.639 -0.061 1.00 41.53 N ATOM 1420 CA GLY A 92 -12.175 -8.067 -0.308 1.00 12.42 C ATOM 1421 C GLY A 92 -10.785 -8.626 -0.076 1.00 51.33 C ATOM 1422 O GLY A 92 -10.128 -9.094 -1.009 1.00 43.03 O ATOM 0 H GLY A 92 -12.346 -6.380 0.921 1.00 41.53 H new ATOM 0 HA2 GLY A 92 -12.883 -8.582 0.341 1.00 12.42 H new ATOM 0 HA3 GLY A 92 -12.478 -8.271 -1.335 1.00 12.42 H new ATOM 1426 N VAL A 93 -10.337 -8.565 1.173 1.00 14.41 N ATOM 1427 CA VAL A 93 -9.060 -9.137 1.579 1.00 71.32 C ATOM 1428 C VAL A 93 -9.298 -10.461 2.302 1.00 35.55 C ATOM 1429 O VAL A 93 -9.707 -10.484 3.463 1.00 50.52 O ATOM 1430 CB VAL A 93 -8.276 -8.171 2.506 1.00 14.12 C ATOM 1431 CG1 VAL A 93 -6.970 -8.806 2.987 1.00 71.23 C ATOM 1432 CG2 VAL A 93 -8.006 -6.841 1.800 1.00 13.55 C ATOM 0 H VAL A 93 -10.850 -8.117 1.933 1.00 14.41 H new ATOM 0 HA VAL A 93 -8.463 -9.305 0.682 1.00 71.32 H new ATOM 0 HB VAL A 93 -8.894 -7.973 3.382 1.00 14.12 H new ATOM 0 HG11 VAL A 93 -6.442 -8.106 3.635 1.00 71.23 H new ATOM 0 HG12 VAL A 93 -7.191 -9.718 3.542 1.00 71.23 H new ATOM 0 HG13 VAL A 93 -6.345 -9.047 2.127 1.00 71.23 H new ATOM 0 HG21 VAL A 93 -7.455 -6.179 2.469 1.00 13.55 H new ATOM 0 HG22 VAL A 93 -7.417 -7.020 0.900 1.00 13.55 H new ATOM 0 HG23 VAL A 93 -8.953 -6.375 1.527 1.00 13.55 H new ATOM 1442 N SER A 94 -9.071 -11.559 1.593 1.00 62.30 N ATOM 1443 CA SER A 94 -9.294 -12.896 2.134 1.00 25.42 C ATOM 1444 C SER A 94 -7.969 -13.644 2.270 1.00 74.32 C ATOM 1445 O SER A 94 -7.943 -14.843 2.562 1.00 13.25 O ATOM 1446 CB SER A 94 -10.264 -13.667 1.225 1.00 53.41 C ATOM 1447 OG SER A 94 -10.626 -14.918 1.789 1.00 11.30 O ATOM 0 H SER A 94 -8.729 -11.550 0.632 1.00 62.30 H new ATOM 0 HA SER A 94 -9.736 -12.810 3.127 1.00 25.42 H new ATOM 0 HB2 SER A 94 -11.160 -13.069 1.058 1.00 53.41 H new ATOM 0 HB3 SER A 94 -9.802 -13.827 0.251 1.00 53.41 H new ATOM 0 HG SER A 94 -9.824 -15.371 2.123 1.00 11.30 H new ATOM 1453 N ALA A 95 -6.871 -12.926 2.061 1.00 50.41 N ATOM 1454 CA ALA A 95 -5.533 -13.484 2.206 1.00 41.13 C ATOM 1455 C ALA A 95 -4.733 -12.637 3.184 1.00 33.24 C ATOM 1456 O ALA A 95 -4.996 -11.440 3.329 1.00 11.03 O ATOM 1457 CB ALA A 95 -4.833 -13.551 0.851 1.00 34.23 C ATOM 0 H ALA A 95 -6.884 -11.944 1.787 1.00 50.41 H new ATOM 0 HA ALA A 95 -5.608 -14.499 2.596 1.00 41.13 H new ATOM 0 HB1 ALA A 95 -3.835 -13.970 0.977 1.00 34.23 H new ATOM 0 HB2 ALA A 95 -5.409 -14.183 0.175 1.00 34.23 H new ATOM 0 HB3 ALA A 95 -4.755 -12.548 0.432 1.00 34.23 H new ATOM 1463 N ILE A 96 -3.771 -13.256 3.862 1.00 31.34 N ATOM 1464 CA ILE A 96 -2.953 -12.548 4.846 1.00 12.12 C ATOM 1465 C ILE A 96 -2.126 -11.435 4.181 1.00 40.35 C ATOM 1466 O ILE A 96 -2.262 -10.271 4.552 1.00 43.20 O ATOM 1467 CB ILE A 96 -2.023 -13.509 5.637 1.00 31.43 C ATOM 1468 CG1 ILE A 96 -2.853 -14.551 6.407 1.00 4.34 C ATOM 1469 CG2 ILE A 96 -1.119 -12.722 6.589 1.00 33.03 C ATOM 1470 CD1 ILE A 96 -2.020 -15.549 7.187 1.00 12.41 C ATOM 0 H ILE A 96 -3.538 -14.243 3.750 1.00 31.34 H new ATOM 0 HA ILE A 96 -3.643 -12.095 5.558 1.00 12.12 H new ATOM 0 HB ILE A 96 -1.388 -14.037 4.926 1.00 31.43 H new ATOM 0 HG12 ILE A 96 -3.519 -14.032 7.096 1.00 4.34 H new ATOM 0 HG13 ILE A 96 -3.483 -15.092 5.701 1.00 4.34 H new ATOM 0 HG21 ILE A 96 -0.475 -13.413 7.134 1.00 33.03 H new ATOM 0 HG22 ILE A 96 -0.504 -12.028 6.016 1.00 33.03 H new ATOM 0 HG23 ILE A 96 -1.733 -12.164 7.296 1.00 33.03 H new ATOM 0 HD11 ILE A 96 -2.678 -16.249 7.702 1.00 12.41 H new ATOM 0 HD12 ILE A 96 -1.372 -16.096 6.502 1.00 12.41 H new ATOM 0 HD13 ILE A 96 -1.409 -15.020 7.919 1.00 12.41 H new ATOM 1482 N PRO A 97 -1.275 -11.756 3.176 1.00 22.24 N ATOM 1483 CA PRO A 97 -0.467 -10.744 2.500 1.00 53.22 C ATOM 1484 C PRO A 97 -1.230 -10.094 1.342 1.00 51.51 C ATOM 1485 O PRO A 97 -1.358 -10.676 0.263 1.00 45.22 O ATOM 1486 CB PRO A 97 0.728 -11.557 1.995 1.00 2.42 C ATOM 1487 CG PRO A 97 0.164 -12.911 1.693 1.00 43.04 C ATOM 1488 CD PRO A 97 -1.033 -13.102 2.606 1.00 22.13 C ATOM 0 HA PRO A 97 -0.186 -9.913 3.147 1.00 53.22 H new ATOM 0 HB2 PRO A 97 1.169 -11.104 1.107 1.00 2.42 H new ATOM 0 HB3 PRO A 97 1.515 -11.614 2.747 1.00 2.42 H new ATOM 0 HG2 PRO A 97 -0.133 -12.981 0.647 1.00 43.04 H new ATOM 0 HG3 PRO A 97 0.909 -13.687 1.866 1.00 43.04 H new ATOM 0 HD2 PRO A 97 -1.901 -13.463 2.054 1.00 22.13 H new ATOM 0 HD3 PRO A 97 -0.825 -13.834 3.387 1.00 22.13 H new ATOM 1496 N THR A 98 -1.760 -8.900 1.578 1.00 73.30 N ATOM 1497 CA THR A 98 -2.534 -8.191 0.566 1.00 53.40 C ATOM 1498 C THR A 98 -2.158 -6.711 0.542 1.00 72.02 C ATOM 1499 O THR A 98 -2.266 -6.016 1.555 1.00 55.03 O ATOM 1500 CB THR A 98 -4.053 -8.340 0.821 1.00 73.00 C ATOM 1501 OG1 THR A 98 -4.382 -9.725 1.004 1.00 11.14 O ATOM 1502 CG2 THR A 98 -4.869 -7.775 -0.340 1.00 13.34 C ATOM 0 H THR A 98 -1.668 -8.401 2.463 1.00 73.30 H new ATOM 0 HA THR A 98 -2.299 -8.635 -0.402 1.00 53.40 H new ATOM 0 HB THR A 98 -4.299 -7.777 1.721 1.00 73.00 H new ATOM 0 HG1 THR A 98 -4.421 -9.928 1.962 1.00 11.14 H new ATOM 0 HG21 THR A 98 -5.932 -7.895 -0.130 1.00 13.34 H new ATOM 0 HG22 THR A 98 -4.641 -6.716 -0.464 1.00 13.34 H new ATOM 0 HG23 THR A 98 -4.617 -8.310 -1.256 1.00 13.34 H new ATOM 1510 N ILE A 99 -1.704 -6.247 -0.621 1.00 64.14 N ATOM 1511 CA ILE A 99 -1.314 -4.856 -0.818 1.00 73.43 C ATOM 1512 C ILE A 99 -2.320 -4.157 -1.732 1.00 52.14 C ATOM 1513 O ILE A 99 -2.401 -4.460 -2.927 1.00 5.34 O ATOM 1514 CB ILE A 99 0.109 -4.733 -1.440 1.00 22.21 C ATOM 1515 CG1 ILE A 99 1.199 -5.243 -0.472 1.00 50.33 C ATOM 1516 CG2 ILE A 99 0.402 -3.286 -1.851 1.00 74.32 C ATOM 1517 CD1 ILE A 99 1.226 -6.748 -0.294 1.00 24.43 C ATOM 0 H ILE A 99 -1.597 -6.827 -1.453 1.00 64.14 H new ATOM 0 HA ILE A 99 -1.300 -4.381 0.163 1.00 73.43 H new ATOM 0 HB ILE A 99 0.128 -5.362 -2.330 1.00 22.21 H new ATOM 0 HG12 ILE A 99 2.173 -4.915 -0.836 1.00 50.33 H new ATOM 0 HG13 ILE A 99 1.049 -4.777 0.502 1.00 50.33 H new ATOM 0 HG21 ILE A 99 1.401 -3.226 -2.283 1.00 74.32 H new ATOM 0 HG22 ILE A 99 -0.332 -2.961 -2.589 1.00 74.32 H new ATOM 0 HG23 ILE A 99 0.346 -2.640 -0.975 1.00 74.32 H new ATOM 0 HD11 ILE A 99 2.021 -7.018 0.401 1.00 24.43 H new ATOM 0 HD12 ILE A 99 0.268 -7.085 0.102 1.00 24.43 H new ATOM 0 HD13 ILE A 99 1.409 -7.225 -1.257 1.00 24.43 H new ATOM 1529 N LEU A 100 -3.085 -3.235 -1.166 1.00 3.15 N ATOM 1530 CA LEU A 100 -4.059 -2.457 -1.926 1.00 60.23 C ATOM 1531 C LEU A 100 -3.389 -1.212 -2.493 1.00 73.23 C ATOM 1532 O LEU A 100 -2.775 -0.448 -1.753 1.00 2.34 O ATOM 1533 CB LEU A 100 -5.252 -2.045 -1.045 1.00 52.10 C ATOM 1534 CG LEU A 100 -6.134 -3.198 -0.528 1.00 50.14 C ATOM 1535 CD1 LEU A 100 -5.393 -4.046 0.502 1.00 44.24 C ATOM 1536 CD2 LEU A 100 -7.439 -2.658 0.051 1.00 32.30 C ATOM 0 H LEU A 100 -3.051 -3.004 -0.173 1.00 3.15 H new ATOM 0 HA LEU A 100 -4.433 -3.080 -2.739 1.00 60.23 H new ATOM 0 HB2 LEU A 100 -4.871 -1.491 -0.187 1.00 52.10 H new ATOM 0 HB3 LEU A 100 -5.880 -1.359 -1.614 1.00 52.10 H new ATOM 0 HG LEU A 100 -6.373 -3.842 -1.375 1.00 50.14 H new ATOM 0 HD11 LEU A 100 -6.043 -4.850 0.846 1.00 44.24 H new ATOM 0 HD12 LEU A 100 -4.499 -4.472 0.047 1.00 44.24 H new ATOM 0 HD13 LEU A 100 -5.107 -3.422 1.349 1.00 44.24 H new ATOM 0 HD21 LEU A 100 -8.048 -3.487 0.411 1.00 32.30 H new ATOM 0 HD22 LEU A 100 -7.218 -1.984 0.879 1.00 32.30 H new ATOM 0 HD23 LEU A 100 -7.984 -2.117 -0.722 1.00 32.30 H new ATOM 1548 N MET A 101 -3.495 -1.013 -3.800 1.00 20.42 N ATOM 1549 CA MET A 101 -2.864 0.129 -4.452 1.00 21.01 C ATOM 1550 C MET A 101 -3.922 1.156 -4.842 1.00 63.53 C ATOM 1551 O MET A 101 -5.019 0.793 -5.271 1.00 74.14 O ATOM 1552 CB MET A 101 -2.082 -0.322 -5.699 1.00 13.20 C ATOM 1553 CG MET A 101 -1.237 -1.573 -5.487 1.00 34.51 C ATOM 1554 SD MET A 101 -0.183 -1.954 -6.899 1.00 73.11 S ATOM 1555 CE MET A 101 0.848 -0.491 -6.954 1.00 63.11 C ATOM 0 H MET A 101 -4.011 -1.627 -4.430 1.00 20.42 H new ATOM 0 HA MET A 101 -2.164 0.585 -3.752 1.00 21.01 H new ATOM 0 HB2 MET A 101 -2.787 -0.506 -6.509 1.00 13.20 H new ATOM 0 HB3 MET A 101 -1.432 0.492 -6.021 1.00 13.20 H new ATOM 0 HG2 MET A 101 -0.616 -1.440 -4.601 1.00 34.51 H new ATOM 0 HG3 MET A 101 -1.894 -2.420 -5.291 1.00 34.51 H new ATOM 0 HE1 MET A 101 1.854 -0.766 -7.272 1.00 63.11 H new ATOM 0 HE2 MET A 101 0.427 0.224 -7.661 1.00 63.11 H new ATOM 0 HE3 MET A 101 0.892 -0.039 -5.963 1.00 63.11 H new ATOM 1565 N PHE A 102 -3.591 2.435 -4.676 1.00 32.03 N ATOM 1566 CA PHE A 102 -4.460 3.543 -5.074 1.00 22.23 C ATOM 1567 C PHE A 102 -3.594 4.718 -5.520 1.00 63.51 C ATOM 1568 O PHE A 102 -2.438 4.825 -5.110 1.00 75.25 O ATOM 1569 CB PHE A 102 -5.367 3.987 -3.911 1.00 53.34 C ATOM 1570 CG PHE A 102 -6.335 2.931 -3.432 1.00 64.12 C ATOM 1571 CD1 PHE A 102 -7.492 2.656 -4.147 1.00 22.42 C ATOM 1572 CD2 PHE A 102 -6.087 2.216 -2.267 1.00 52.33 C ATOM 1573 CE1 PHE A 102 -8.380 1.691 -3.711 1.00 32.03 C ATOM 1574 CE2 PHE A 102 -6.972 1.251 -1.827 1.00 22.13 C ATOM 1575 CZ PHE A 102 -8.119 0.987 -2.550 1.00 5.21 C ATOM 0 H PHE A 102 -2.709 2.734 -4.260 1.00 32.03 H new ATOM 0 HA PHE A 102 -5.097 3.208 -5.892 1.00 22.23 H new ATOM 0 HB2 PHE A 102 -4.739 4.293 -3.074 1.00 53.34 H new ATOM 0 HB3 PHE A 102 -5.932 4.865 -4.223 1.00 53.34 H new ATOM 0 HD1 PHE A 102 -7.701 3.202 -5.055 1.00 22.42 H new ATOM 0 HD2 PHE A 102 -5.191 2.417 -1.698 1.00 52.33 H new ATOM 0 HE1 PHE A 102 -9.277 1.487 -4.277 1.00 32.03 H new ATOM 0 HE2 PHE A 102 -6.767 0.704 -0.919 1.00 22.13 H new ATOM 0 HZ PHE A 102 -8.811 0.231 -2.209 1.00 5.21 H new ATOM 1585 N LYS A 103 -4.133 5.597 -6.362 1.00 52.01 N ATOM 1586 CA LYS A 103 -3.397 6.802 -6.758 1.00 11.42 C ATOM 1587 C LYS A 103 -4.258 8.044 -6.565 1.00 41.54 C ATOM 1588 O LYS A 103 -5.183 8.285 -7.333 1.00 63.31 O ATOM 1589 CB LYS A 103 -2.909 6.724 -8.216 1.00 72.23 C ATOM 1590 CG LYS A 103 -2.194 8.001 -8.669 1.00 51.20 C ATOM 1591 CD LYS A 103 -1.746 7.951 -10.129 1.00 50.11 C ATOM 1592 CE LYS A 103 -0.553 7.025 -10.348 1.00 0.40 C ATOM 1593 NZ LYS A 103 -0.039 7.114 -11.741 1.00 30.53 N ATOM 0 H LYS A 103 -5.059 5.504 -6.778 1.00 52.01 H new ATOM 0 HA LYS A 103 -2.520 6.869 -6.114 1.00 11.42 H new ATOM 0 HB2 LYS A 103 -2.233 5.876 -8.324 1.00 72.23 H new ATOM 0 HB3 LYS A 103 -3.761 6.538 -8.870 1.00 72.23 H new ATOM 0 HG2 LYS A 103 -2.860 8.852 -8.528 1.00 51.20 H new ATOM 0 HG3 LYS A 103 -1.324 8.168 -8.034 1.00 51.20 H new ATOM 0 HD2 LYS A 103 -2.578 7.617 -10.749 1.00 50.11 H new ATOM 0 HD3 LYS A 103 -1.486 8.957 -10.459 1.00 50.11 H new ATOM 0 HE2 LYS A 103 0.242 7.284 -9.649 1.00 0.40 H new ATOM 0 HE3 LYS A 103 -0.845 5.997 -10.132 1.00 0.40 H new ATOM 0 HZ1 LYS A 103 0.943 6.774 -11.771 1.00 30.53 H new ATOM 0 HZ2 LYS A 103 -0.628 6.528 -12.366 1.00 30.53 H new ATOM 0 HZ3 LYS A 103 -0.073 8.103 -12.061 1.00 30.53 H new ATOM 1607 N ASN A 104 -3.953 8.817 -5.522 1.00 30.31 N ATOM 1608 CA ASN A 104 -4.654 10.077 -5.248 1.00 4.33 C ATOM 1609 C ASN A 104 -6.144 9.821 -5.000 1.00 34.40 C ATOM 1610 O ASN A 104 -6.989 10.698 -5.185 1.00 2.21 O ATOM 1611 CB ASN A 104 -4.449 11.059 -6.420 1.00 4.30 C ATOM 1612 CG ASN A 104 -4.932 12.471 -6.114 1.00 64.33 C ATOM 1613 OD1 ASN A 104 -4.199 13.275 -5.545 1.00 44.01 O ATOM 1614 ND2 ASN A 104 -6.155 12.788 -6.507 1.00 23.31 N ATOM 0 H ASN A 104 -3.221 8.593 -4.848 1.00 30.31 H new ATOM 0 HA ASN A 104 -4.238 10.525 -4.346 1.00 4.33 H new ATOM 0 HB2 ASN A 104 -3.390 11.092 -6.676 1.00 4.30 H new ATOM 0 HB3 ASN A 104 -4.977 10.684 -7.296 1.00 4.30 H new ATOM 0 HD21 ASN A 104 -6.517 13.727 -6.340 1.00 23.31 H new ATOM 0 HD22 ASN A 104 -6.736 12.094 -6.977 1.00 23.31 H new ATOM 1621 N GLY A 105 -6.456 8.612 -4.550 1.00 12.13 N ATOM 1622 CA GLY A 105 -7.840 8.234 -4.311 1.00 0.14 C ATOM 1623 C GLY A 105 -8.459 7.549 -5.513 1.00 62.12 C ATOM 1624 O GLY A 105 -9.542 6.970 -5.416 1.00 62.54 O ATOM 0 H GLY A 105 -5.774 7.882 -4.345 1.00 12.13 H new ATOM 0 HA2 GLY A 105 -7.890 7.568 -3.449 1.00 0.14 H new ATOM 0 HA3 GLY A 105 -8.420 9.122 -4.062 1.00 0.14 H new ATOM 1628 N LYS A 106 -7.773 7.619 -6.650 1.00 65.21 N ATOM 1629 CA LYS A 106 -8.234 6.960 -7.862 1.00 22.42 C ATOM 1630 C LYS A 106 -7.994 5.459 -7.763 1.00 65.01 C ATOM 1631 O LYS A 106 -6.941 5.018 -7.268 1.00 61.33 O ATOM 1632 CB LYS A 106 -7.535 7.532 -9.104 1.00 25.44 C ATOM 1633 CG LYS A 106 -8.126 7.033 -10.420 1.00 63.55 C ATOM 1634 CD LYS A 106 -7.547 7.771 -11.624 1.00 52.02 C ATOM 1635 CE LYS A 106 -6.055 7.506 -11.803 1.00 44.44 C ATOM 1636 NZ LYS A 106 -5.487 8.300 -12.926 1.00 53.43 N ATOM 0 H LYS A 106 -6.895 8.127 -6.755 1.00 65.21 H new ATOM 0 HA LYS A 106 -9.303 7.144 -7.965 1.00 22.42 H new ATOM 0 HB2 LYS A 106 -7.596 8.620 -9.077 1.00 25.44 H new ATOM 0 HB3 LYS A 106 -6.477 7.271 -9.068 1.00 25.44 H new ATOM 0 HG2 LYS A 106 -7.933 5.965 -10.522 1.00 63.55 H new ATOM 0 HG3 LYS A 106 -9.208 7.161 -10.403 1.00 63.55 H new ATOM 0 HD2 LYS A 106 -8.079 7.465 -12.525 1.00 52.02 H new ATOM 0 HD3 LYS A 106 -7.712 8.842 -11.505 1.00 52.02 H new ATOM 0 HE2 LYS A 106 -5.528 7.751 -10.881 1.00 44.44 H new ATOM 0 HE3 LYS A 106 -5.894 6.444 -11.990 1.00 44.44 H new ATOM 0 HZ1 LYS A 106 -4.472 8.094 -13.018 1.00 53.43 H new ATOM 0 HZ2 LYS A 106 -5.973 8.048 -13.810 1.00 53.43 H new ATOM 0 HZ3 LYS A 106 -5.619 9.314 -12.736 1.00 53.43 H new ATOM 1650 N LYS A 107 -8.981 4.697 -8.237 1.00 75.01 N ATOM 1651 CA LYS A 107 -8.969 3.244 -8.161 1.00 63.31 C ATOM 1652 C LYS A 107 -7.746 2.674 -8.873 1.00 52.33 C ATOM 1653 O LYS A 107 -7.292 3.207 -9.892 1.00 32.03 O ATOM 1654 CB LYS A 107 -10.268 2.670 -8.754 1.00 72.14 C ATOM 1655 CG LYS A 107 -10.488 1.178 -8.481 1.00 13.30 C ATOM 1656 CD LYS A 107 -10.428 0.846 -6.987 1.00 43.10 C ATOM 1657 CE LYS A 107 -11.397 1.689 -6.155 1.00 51.02 C ATOM 1658 NZ LYS A 107 -12.816 1.456 -6.523 1.00 43.20 N ATOM 0 H LYS A 107 -9.814 5.078 -8.686 1.00 75.01 H new ATOM 0 HA LYS A 107 -8.910 2.952 -7.113 1.00 63.31 H new ATOM 0 HB2 LYS A 107 -11.113 3.228 -8.352 1.00 72.14 H new ATOM 0 HB3 LYS A 107 -10.263 2.832 -9.832 1.00 72.14 H new ATOM 0 HG2 LYS A 107 -11.457 0.877 -8.879 1.00 13.30 H new ATOM 0 HG3 LYS A 107 -9.732 0.599 -9.010 1.00 13.30 H new ATOM 0 HD2 LYS A 107 -10.657 -0.210 -6.844 1.00 43.10 H new ATOM 0 HD3 LYS A 107 -9.412 1.004 -6.624 1.00 43.10 H new ATOM 0 HE2 LYS A 107 -11.257 1.460 -5.099 1.00 51.02 H new ATOM 0 HE3 LYS A 107 -11.160 2.745 -6.287 1.00 51.02 H new ATOM 0 HZ1 LYS A 107 -13.430 2.050 -5.931 1.00 43.20 H new ATOM 0 HZ2 LYS A 107 -12.960 1.699 -7.524 1.00 43.20 H new ATOM 0 HZ3 LYS A 107 -13.054 0.455 -6.373 1.00 43.20 H new ATOM 1672 N LEU A 108 -7.240 1.580 -8.335 1.00 24.04 N ATOM 1673 CA LEU A 108 -5.941 1.053 -8.702 1.00 1.01 C ATOM 1674 C LEU A 108 -5.837 -0.400 -8.257 1.00 1.40 C ATOM 1675 O LEU A 108 -6.696 -0.894 -7.520 1.00 12.02 O ATOM 1676 CB LEU A 108 -4.791 1.885 -8.127 1.00 34.54 C ATOM 1677 CG LEU A 108 -3.564 1.994 -9.052 1.00 71.23 C ATOM 1678 CD1 LEU A 108 -3.702 3.184 -10.002 1.00 72.32 C ATOM 1679 CD2 LEU A 108 -2.268 2.059 -8.250 1.00 10.53 C ATOM 0 H LEU A 108 -7.723 1.029 -7.626 1.00 24.04 H new ATOM 0 HA LEU A 108 -5.850 1.108 -9.787 1.00 1.01 H new ATOM 0 HB2 LEU A 108 -5.157 2.888 -7.909 1.00 34.54 H new ATOM 0 HB3 LEU A 108 -4.479 1.446 -7.179 1.00 34.54 H new ATOM 0 HG LEU A 108 -3.519 1.090 -9.660 1.00 71.23 H new ATOM 0 HD11 LEU A 108 -2.824 3.240 -10.645 1.00 72.32 H new ATOM 0 HD12 LEU A 108 -4.594 3.058 -10.616 1.00 72.32 H new ATOM 0 HD13 LEU A 108 -3.787 4.104 -9.423 1.00 72.32 H new ATOM 0 HD21 LEU A 108 -1.421 2.135 -8.932 1.00 10.53 H new ATOM 0 HD22 LEU A 108 -2.288 2.931 -7.597 1.00 10.53 H new ATOM 0 HD23 LEU A 108 -2.168 1.157 -7.647 1.00 10.53 H new ATOM 1691 N SER A 109 -4.801 -1.076 -8.723 1.00 10.24 N ATOM 1692 CA SER A 109 -4.674 -2.521 -8.602 1.00 33.40 C ATOM 1693 C SER A 109 -4.426 -2.955 -7.151 1.00 62.52 C ATOM 1694 O SER A 109 -4.260 -2.129 -6.259 1.00 23.54 O ATOM 1695 CB SER A 109 -3.466 -2.947 -9.448 1.00 33.13 C ATOM 1696 OG SER A 109 -3.750 -2.911 -10.838 1.00 22.13 O ATOM 0 H SER A 109 -4.016 -0.634 -9.201 1.00 10.24 H new ATOM 0 HA SER A 109 -5.601 -2.986 -8.937 1.00 33.40 H new ATOM 0 HB2 SER A 109 -2.623 -2.290 -9.233 1.00 33.13 H new ATOM 0 HB3 SER A 109 -3.164 -3.956 -9.166 1.00 33.13 H new ATOM 0 HG SER A 109 -2.956 -3.187 -11.341 1.00 22.13 H new ATOM 1702 N GLN A 110 -4.455 -4.266 -6.921 1.00 43.15 N ATOM 1703 CA GLN A 110 -4.247 -4.832 -5.592 1.00 31.35 C ATOM 1704 C GLN A 110 -3.436 -6.121 -5.705 1.00 41.42 C ATOM 1705 O GLN A 110 -3.872 -7.083 -6.341 1.00 21.11 O ATOM 1706 CB GLN A 110 -5.601 -5.113 -4.914 1.00 3.43 C ATOM 1707 CG GLN A 110 -5.493 -5.625 -3.482 1.00 72.02 C ATOM 1708 CD GLN A 110 -6.836 -6.052 -2.909 1.00 33.01 C ATOM 1709 OE1 GLN A 110 -7.583 -5.244 -2.365 1.00 41.35 O ATOM 1710 NE2 GLN A 110 -7.143 -7.332 -3.014 1.00 31.43 N ATOM 0 H GLN A 110 -4.623 -4.962 -7.647 1.00 43.15 H new ATOM 0 HA GLN A 110 -3.697 -4.116 -4.982 1.00 31.35 H new ATOM 0 HB2 GLN A 110 -6.192 -4.197 -4.916 1.00 3.43 H new ATOM 0 HB3 GLN A 110 -6.147 -5.846 -5.509 1.00 3.43 H new ATOM 0 HG2 GLN A 110 -4.805 -6.470 -3.453 1.00 72.02 H new ATOM 0 HG3 GLN A 110 -5.066 -4.845 -2.853 1.00 72.02 H new ATOM 0 HE21 GLN A 110 -6.498 -7.975 -3.473 1.00 31.43 H new ATOM 0 HE22 GLN A 110 -8.025 -7.677 -2.636 1.00 31.43 H new ATOM 1719 N VAL A 111 -2.260 -6.134 -5.091 1.00 74.33 N ATOM 1720 CA VAL A 111 -1.381 -7.296 -5.136 1.00 70.43 C ATOM 1721 C VAL A 111 -1.724 -8.256 -4.001 1.00 10.42 C ATOM 1722 O VAL A 111 -1.455 -7.972 -2.834 1.00 61.51 O ATOM 1723 CB VAL A 111 0.112 -6.882 -5.031 1.00 22.21 C ATOM 1724 CG1 VAL A 111 1.030 -8.103 -5.110 1.00 62.22 C ATOM 1725 CG2 VAL A 111 0.468 -5.860 -6.114 1.00 71.03 C ATOM 0 H VAL A 111 -1.891 -5.349 -4.554 1.00 74.33 H new ATOM 0 HA VAL A 111 -1.533 -7.791 -6.095 1.00 70.43 H new ATOM 0 HB VAL A 111 0.264 -6.414 -4.058 1.00 22.21 H new ATOM 0 HG11 VAL A 111 2.069 -7.783 -5.034 1.00 62.22 H new ATOM 0 HG12 VAL A 111 0.800 -8.785 -4.292 1.00 62.22 H new ATOM 0 HG13 VAL A 111 0.876 -8.613 -6.061 1.00 62.22 H new ATOM 0 HG21 VAL A 111 1.518 -5.584 -6.022 1.00 71.03 H new ATOM 0 HG22 VAL A 111 0.292 -6.296 -7.097 1.00 71.03 H new ATOM 0 HG23 VAL A 111 -0.153 -4.972 -5.994 1.00 71.03 H new ATOM 1735 N ILE A 112 -2.341 -9.375 -4.346 1.00 73.31 N ATOM 1736 CA ILE A 112 -2.686 -10.398 -3.368 1.00 71.43 C ATOM 1737 C ILE A 112 -1.608 -11.474 -3.328 1.00 23.45 C ATOM 1738 O ILE A 112 -1.505 -12.304 -4.238 1.00 41.04 O ATOM 1739 CB ILE A 112 -4.056 -11.035 -3.697 1.00 63.43 C ATOM 1740 CG1 ILE A 112 -5.128 -9.938 -3.803 1.00 44.44 C ATOM 1741 CG2 ILE A 112 -4.442 -12.072 -2.638 1.00 52.14 C ATOM 1742 CD1 ILE A 112 -6.455 -10.432 -4.325 1.00 62.41 C ATOM 0 H ILE A 112 -2.615 -9.600 -5.302 1.00 73.31 H new ATOM 0 HA ILE A 112 -2.753 -9.923 -2.389 1.00 71.43 H new ATOM 0 HB ILE A 112 -3.983 -11.549 -4.655 1.00 63.43 H new ATOM 0 HG12 ILE A 112 -5.278 -9.493 -2.819 1.00 44.44 H new ATOM 0 HG13 ILE A 112 -4.762 -9.147 -4.458 1.00 44.44 H new ATOM 0 HG21 ILE A 112 -5.409 -12.507 -2.890 1.00 52.14 H new ATOM 0 HG22 ILE A 112 -3.688 -12.858 -2.607 1.00 52.14 H new ATOM 0 HG23 ILE A 112 -4.504 -11.590 -1.662 1.00 52.14 H new ATOM 0 HD11 ILE A 112 -7.160 -9.602 -4.372 1.00 62.41 H new ATOM 0 HD12 ILE A 112 -6.321 -10.850 -5.323 1.00 62.41 H new ATOM 0 HD13 ILE A 112 -6.845 -11.201 -3.658 1.00 62.41 H new ATOM 1754 N GLY A 113 -0.795 -11.444 -2.283 1.00 61.43 N ATOM 1755 CA GLY A 113 0.290 -12.395 -2.142 1.00 1.34 C ATOM 1756 C GLY A 113 1.611 -11.702 -1.898 1.00 13.24 C ATOM 1757 O GLY A 113 1.838 -10.592 -2.386 1.00 62.33 O ATOM 0 H GLY A 113 -0.869 -10.770 -1.521 1.00 61.43 H new ATOM 0 HA2 GLY A 113 0.076 -13.072 -1.315 1.00 1.34 H new ATOM 0 HA3 GLY A 113 0.359 -13.004 -3.043 1.00 1.34 H new ATOM 1761 N ALA A 114 2.488 -12.348 -1.142 1.00 52.15 N ATOM 1762 CA ALA A 114 3.793 -11.786 -0.834 1.00 4.25 C ATOM 1763 C ALA A 114 4.744 -12.002 -2.009 1.00 44.41 C ATOM 1764 O ALA A 114 5.655 -12.831 -1.947 1.00 51.25 O ATOM 1765 CB ALA A 114 4.345 -12.406 0.444 1.00 52.45 C ATOM 0 H ALA A 114 2.317 -13.265 -0.730 1.00 52.15 H new ATOM 0 HA ALA A 114 3.693 -10.713 -0.670 1.00 4.25 H new ATOM 0 HB1 ALA A 114 5.323 -11.977 0.664 1.00 52.45 H new ATOM 0 HB2 ALA A 114 3.665 -12.202 1.271 1.00 52.45 H new ATOM 0 HB3 ALA A 114 4.443 -13.484 0.313 1.00 52.45 H new ATOM 1771 N ASP A 115 4.510 -11.262 -3.091 1.00 55.03 N ATOM 1772 CA ASP A 115 5.343 -11.353 -4.287 1.00 32.51 C ATOM 1773 C ASP A 115 5.929 -9.988 -4.612 1.00 13.54 C ATOM 1774 O ASP A 115 5.288 -9.145 -5.260 1.00 72.21 O ATOM 1775 CB ASP A 115 4.547 -11.895 -5.482 1.00 11.21 C ATOM 1776 CG ASP A 115 5.440 -12.184 -6.683 1.00 14.13 C ATOM 1777 OD1 ASP A 115 6.215 -13.162 -6.629 1.00 14.02 O ATOM 1778 OD2 ASP A 115 5.366 -11.450 -7.688 1.00 5.53 O ATOM 0 H ASP A 115 3.746 -10.590 -3.163 1.00 55.03 H new ATOM 0 HA ASP A 115 6.154 -12.053 -4.087 1.00 32.51 H new ATOM 0 HB2 ASP A 115 4.029 -12.808 -5.188 1.00 11.21 H new ATOM 0 HB3 ASP A 115 3.782 -11.172 -5.765 1.00 11.21 H new ATOM 1783 N ILE A 116 7.153 -9.778 -4.145 1.00 50.21 N ATOM 1784 CA ILE A 116 7.815 -8.487 -4.252 1.00 71.51 C ATOM 1785 C ILE A 116 8.007 -8.117 -5.725 1.00 65.13 C ATOM 1786 O ILE A 116 8.018 -6.941 -6.081 1.00 70.32 O ATOM 1787 CB ILE A 116 9.177 -8.496 -3.484 1.00 75.41 C ATOM 1788 CG1 ILE A 116 9.464 -7.124 -2.832 1.00 31.52 C ATOM 1789 CG2 ILE A 116 10.332 -8.917 -4.396 1.00 71.34 C ATOM 1790 CD1 ILE A 116 9.733 -5.998 -3.807 1.00 15.30 C ATOM 0 H ILE A 116 7.712 -10.496 -3.683 1.00 50.21 H new ATOM 0 HA ILE A 116 7.184 -7.728 -3.789 1.00 71.51 H new ATOM 0 HB ILE A 116 9.094 -9.236 -2.688 1.00 75.41 H new ATOM 0 HG12 ILE A 116 8.613 -6.849 -2.208 1.00 31.52 H new ATOM 0 HG13 ILE A 116 10.324 -7.225 -2.171 1.00 31.52 H new ATOM 0 HG21 ILE A 116 11.263 -8.912 -3.830 1.00 71.34 H new ATOM 0 HG22 ILE A 116 10.146 -9.920 -4.780 1.00 71.34 H new ATOM 0 HG23 ILE A 116 10.411 -8.219 -5.229 1.00 71.34 H new ATOM 0 HD11 ILE A 116 9.923 -5.077 -3.256 1.00 15.30 H new ATOM 0 HD12 ILE A 116 10.604 -6.243 -4.415 1.00 15.30 H new ATOM 0 HD13 ILE A 116 8.866 -5.862 -4.453 1.00 15.30 H new ATOM 1802 N SER A 117 8.126 -9.135 -6.575 1.00 63.45 N ATOM 1803 CA SER A 117 8.276 -8.926 -8.010 1.00 23.31 C ATOM 1804 C SER A 117 7.042 -8.224 -8.583 1.00 73.35 C ATOM 1805 O SER A 117 7.159 -7.229 -9.303 1.00 43.42 O ATOM 1806 CB SER A 117 8.505 -10.270 -8.709 1.00 1.24 C ATOM 1807 OG SER A 117 9.539 -11.003 -8.070 1.00 42.23 O ATOM 0 H SER A 117 8.121 -10.115 -6.292 1.00 63.45 H new ATOM 0 HA SER A 117 9.141 -8.286 -8.185 1.00 23.31 H new ATOM 0 HB2 SER A 117 7.583 -10.851 -8.700 1.00 1.24 H new ATOM 0 HB3 SER A 117 8.765 -10.101 -9.754 1.00 1.24 H new ATOM 0 HG SER A 117 9.667 -11.858 -8.531 1.00 42.23 H new ATOM 1813 N LYS A 118 5.859 -8.729 -8.246 1.00 15.55 N ATOM 1814 CA LYS A 118 4.611 -8.127 -8.704 1.00 11.22 C ATOM 1815 C LYS A 118 4.421 -6.756 -8.063 1.00 43.42 C ATOM 1816 O LYS A 118 3.937 -5.820 -8.707 1.00 42.30 O ATOM 1817 CB LYS A 118 3.414 -9.039 -8.390 1.00 24.31 C ATOM 1818 CG LYS A 118 2.064 -8.480 -8.840 1.00 34.32 C ATOM 1819 CD LYS A 118 2.048 -8.133 -10.331 1.00 43.02 C ATOM 1820 CE LYS A 118 0.714 -7.531 -10.759 1.00 12.15 C ATOM 1821 NZ LYS A 118 0.750 -7.028 -12.159 1.00 52.24 N ATOM 0 H LYS A 118 5.738 -9.553 -7.658 1.00 15.55 H new ATOM 0 HA LYS A 118 4.666 -8.004 -9.786 1.00 11.22 H new ATOM 0 HB2 LYS A 118 3.572 -10.005 -8.869 1.00 24.31 H new ATOM 0 HB3 LYS A 118 3.380 -9.218 -7.315 1.00 24.31 H new ATOM 0 HG2 LYS A 118 1.283 -9.210 -8.631 1.00 34.32 H new ATOM 0 HG3 LYS A 118 1.830 -7.588 -8.259 1.00 34.32 H new ATOM 0 HD2 LYS A 118 2.851 -7.429 -10.549 1.00 43.02 H new ATOM 0 HD3 LYS A 118 2.245 -9.032 -10.915 1.00 43.02 H new ATOM 0 HE2 LYS A 118 -0.069 -8.283 -10.665 1.00 12.15 H new ATOM 0 HE3 LYS A 118 0.454 -6.713 -10.087 1.00 12.15 H new ATOM 0 HZ1 LYS A 118 0.731 -5.988 -12.155 1.00 52.24 H new ATOM 0 HZ2 LYS A 118 1.621 -7.356 -12.624 1.00 52.24 H new ATOM 0 HZ3 LYS A 118 -0.076 -7.388 -12.678 1.00 52.24 H new ATOM 1835 N ILE A 119 4.812 -6.640 -6.796 1.00 64.51 N ATOM 1836 CA ILE A 119 4.725 -5.364 -6.087 1.00 61.13 C ATOM 1837 C ILE A 119 5.531 -4.278 -6.813 1.00 50.25 C ATOM 1838 O ILE A 119 4.984 -3.239 -7.195 1.00 2.42 O ATOM 1839 CB ILE A 119 5.218 -5.487 -4.620 1.00 4.20 C ATOM 1840 CG1 ILE A 119 4.338 -6.483 -3.844 1.00 13.00 C ATOM 1841 CG2 ILE A 119 5.229 -4.120 -3.928 1.00 22.45 C ATOM 1842 CD1 ILE A 119 4.780 -6.711 -2.412 1.00 50.43 C ATOM 0 H ILE A 119 5.190 -7.408 -6.241 1.00 64.51 H new ATOM 0 HA ILE A 119 3.673 -5.079 -6.072 1.00 61.13 H new ATOM 0 HB ILE A 119 6.241 -5.863 -4.633 1.00 4.20 H new ATOM 0 HG12 ILE A 119 3.310 -6.120 -3.843 1.00 13.00 H new ATOM 0 HG13 ILE A 119 4.338 -7.438 -4.370 1.00 13.00 H new ATOM 0 HG21 ILE A 119 5.578 -4.234 -2.902 1.00 22.45 H new ATOM 0 HG22 ILE A 119 5.896 -3.446 -4.465 1.00 22.45 H new ATOM 0 HG23 ILE A 119 4.221 -3.706 -3.924 1.00 22.45 H new ATOM 0 HD11 ILE A 119 4.109 -7.425 -1.934 1.00 50.43 H new ATOM 0 HD12 ILE A 119 5.796 -7.106 -2.403 1.00 50.43 H new ATOM 0 HD13 ILE A 119 4.753 -5.767 -1.868 1.00 50.43 H new ATOM 1854 N ILE A 120 6.822 -4.532 -7.028 1.00 73.45 N ATOM 1855 CA ILE A 120 7.686 -3.561 -7.699 1.00 34.52 C ATOM 1856 C ILE A 120 7.237 -3.349 -9.146 1.00 44.25 C ATOM 1857 O ILE A 120 7.319 -2.238 -9.676 1.00 43.12 O ATOM 1858 CB ILE A 120 9.187 -3.978 -7.666 1.00 3.22 C ATOM 1859 CG1 ILE A 120 10.071 -2.892 -8.309 1.00 33.23 C ATOM 1860 CG2 ILE A 120 9.400 -5.320 -8.367 1.00 60.43 C ATOM 1861 CD1 ILE A 120 9.970 -1.539 -7.637 1.00 42.52 C ATOM 0 H ILE A 120 7.290 -5.395 -6.750 1.00 73.45 H new ATOM 0 HA ILE A 120 7.593 -2.625 -7.149 1.00 34.52 H new ATOM 0 HB ILE A 120 9.478 -4.088 -6.621 1.00 3.22 H new ATOM 0 HG12 ILE A 120 11.110 -3.222 -8.285 1.00 33.23 H new ATOM 0 HG13 ILE A 120 9.794 -2.787 -9.358 1.00 33.23 H new ATOM 0 HG21 ILE A 120 10.456 -5.587 -8.329 1.00 60.43 H new ATOM 0 HG22 ILE A 120 8.813 -6.090 -7.866 1.00 60.43 H new ATOM 0 HG23 ILE A 120 9.083 -5.242 -9.407 1.00 60.43 H new ATOM 0 HD11 ILE A 120 10.621 -0.830 -8.148 1.00 42.52 H new ATOM 0 HD12 ILE A 120 8.940 -1.185 -7.684 1.00 42.52 H new ATOM 0 HD13 ILE A 120 10.276 -1.627 -6.594 1.00 42.52 H new ATOM 1873 N SER A 121 6.742 -4.416 -9.768 1.00 22.05 N ATOM 1874 CA SER A 121 6.248 -4.346 -11.136 1.00 54.31 C ATOM 1875 C SER A 121 5.120 -3.319 -11.236 1.00 3.35 C ATOM 1876 O SER A 121 5.101 -2.493 -12.148 1.00 2.44 O ATOM 1877 CB SER A 121 5.769 -5.729 -11.601 1.00 1.14 C ATOM 1878 OG SER A 121 5.525 -5.752 -12.998 1.00 43.44 O ATOM 0 H SER A 121 6.673 -5.341 -9.343 1.00 22.05 H new ATOM 0 HA SER A 121 7.061 -4.029 -11.790 1.00 54.31 H new ATOM 0 HB2 SER A 121 6.519 -6.479 -11.349 1.00 1.14 H new ATOM 0 HB3 SER A 121 4.858 -5.998 -11.067 1.00 1.14 H new ATOM 0 HG SER A 121 5.223 -6.646 -13.263 1.00 43.44 H new ATOM 1884 N GLU A 122 4.194 -3.359 -10.278 1.00 0.31 N ATOM 1885 CA GLU A 122 3.087 -2.409 -10.247 1.00 1.33 C ATOM 1886 C GLU A 122 3.572 -1.010 -9.873 1.00 1.15 C ATOM 1887 O GLU A 122 3.073 -0.019 -10.405 1.00 13.44 O ATOM 1888 CB GLU A 122 1.985 -2.869 -9.282 1.00 4.43 C ATOM 1889 CG GLU A 122 1.056 -3.926 -9.866 1.00 32.33 C ATOM 1890 CD GLU A 122 0.383 -3.461 -11.152 1.00 64.45 C ATOM 1891 OE1 GLU A 122 -0.427 -2.509 -11.103 1.00 52.31 O ATOM 1892 OE2 GLU A 122 0.655 -4.051 -12.222 1.00 25.42 O ATOM 0 H GLU A 122 4.190 -4.037 -9.516 1.00 0.31 H new ATOM 0 HA GLU A 122 2.665 -2.368 -11.251 1.00 1.33 H new ATOM 0 HB2 GLU A 122 2.449 -3.266 -8.379 1.00 4.43 H new ATOM 0 HB3 GLU A 122 1.393 -2.004 -8.983 1.00 4.43 H new ATOM 0 HG2 GLU A 122 1.624 -4.835 -10.064 1.00 32.33 H new ATOM 0 HG3 GLU A 122 0.292 -4.181 -9.131 1.00 32.33 H new ATOM 1899 N ILE A 123 4.539 -0.926 -8.963 1.00 50.33 N ATOM 1900 CA ILE A 123 5.116 0.367 -8.598 1.00 41.12 C ATOM 1901 C ILE A 123 5.622 1.087 -9.852 1.00 32.32 C ATOM 1902 O ILE A 123 5.190 2.199 -10.167 1.00 43.35 O ATOM 1903 CB ILE A 123 6.274 0.207 -7.572 1.00 60.32 C ATOM 1904 CG1 ILE A 123 5.737 -0.338 -6.235 1.00 74.05 C ATOM 1905 CG2 ILE A 123 7.004 1.533 -7.358 1.00 44.12 C ATOM 1906 CD1 ILE A 123 6.807 -0.555 -5.179 1.00 41.03 C ATOM 0 H ILE A 123 4.936 -1.726 -8.470 1.00 50.33 H new ATOM 0 HA ILE A 123 4.333 0.962 -8.128 1.00 41.12 H new ATOM 0 HB ILE A 123 6.989 -0.509 -7.977 1.00 60.32 H new ATOM 0 HG12 ILE A 123 4.992 0.356 -5.845 1.00 74.05 H new ATOM 0 HG13 ILE A 123 5.226 -1.283 -6.419 1.00 74.05 H new ATOM 0 HG21 ILE A 123 7.809 1.393 -6.636 1.00 44.12 H new ATOM 0 HG22 ILE A 123 7.421 1.876 -8.305 1.00 44.12 H new ATOM 0 HG23 ILE A 123 6.303 2.277 -6.980 1.00 44.12 H new ATOM 0 HD11 ILE A 123 6.347 -0.940 -4.269 1.00 41.03 H new ATOM 0 HD12 ILE A 123 7.540 -1.273 -5.546 1.00 41.03 H new ATOM 0 HD13 ILE A 123 7.303 0.392 -4.963 1.00 41.03 H new ATOM 1918 N ASN A 124 6.497 0.417 -10.590 1.00 64.43 N ATOM 1919 CA ASN A 124 7.017 0.951 -11.848 1.00 11.41 C ATOM 1920 C ASN A 124 5.881 1.191 -12.842 1.00 53.13 C ATOM 1921 O ASN A 124 5.846 2.215 -13.524 1.00 63.22 O ATOM 1922 CB ASN A 124 8.047 -0.007 -12.463 1.00 42.24 C ATOM 1923 CG ASN A 124 9.294 -0.176 -11.606 1.00 42.34 C ATOM 1924 OD1 ASN A 124 9.689 0.732 -10.871 1.00 13.34 O ATOM 1925 ND2 ASN A 124 9.925 -1.335 -11.703 1.00 74.35 N ATOM 0 H ASN A 124 6.865 -0.501 -10.340 1.00 64.43 H new ATOM 0 HA ASN A 124 7.505 1.901 -11.630 1.00 11.41 H new ATOM 0 HB2 ASN A 124 7.583 -0.982 -12.614 1.00 42.24 H new ATOM 0 HB3 ASN A 124 8.337 0.364 -13.446 1.00 42.24 H new ATOM 0 HD21 ASN A 124 10.771 -1.502 -11.158 1.00 74.35 H new ATOM 0 HD22 ASN A 124 9.566 -2.061 -12.323 1.00 74.35 H new ATOM 1932 N ASN A 125 4.950 0.239 -12.895 1.00 61.13 N ATOM 1933 CA ASN A 125 3.805 0.296 -13.812 1.00 65.43 C ATOM 1934 C ASN A 125 2.969 1.556 -13.587 1.00 31.21 C ATOM 1935 O ASN A 125 2.478 2.166 -14.542 1.00 20.25 O ATOM 1936 CB ASN A 125 2.924 -0.959 -13.631 1.00 2.20 C ATOM 1937 CG ASN A 125 1.665 -0.948 -14.491 1.00 11.05 C ATOM 1938 OD1 ASN A 125 1.641 -0.372 -15.580 1.00 34.12 O ATOM 1939 ND2 ASN A 125 0.608 -1.600 -14.017 1.00 25.04 N ATOM 0 H ASN A 125 4.965 -0.593 -12.306 1.00 61.13 H new ATOM 0 HA ASN A 125 4.192 0.327 -14.831 1.00 65.43 H new ATOM 0 HB2 ASN A 125 3.512 -1.844 -13.873 1.00 2.20 H new ATOM 0 HB3 ASN A 125 2.638 -1.044 -12.583 1.00 2.20 H new ATOM 0 HD21 ASN A 125 -0.256 -1.634 -14.559 1.00 25.04 H new ATOM 0 HD22 ASN A 125 0.661 -2.067 -13.112 1.00 25.04 H new ATOM 1946 N ASN A 126 2.812 1.946 -12.327 1.00 63.25 N ATOM 1947 CA ASN A 126 1.932 3.060 -11.972 1.00 75.12 C ATOM 1948 C ASN A 126 2.707 4.361 -11.746 1.00 42.22 C ATOM 1949 O ASN A 126 2.099 5.426 -11.633 1.00 43.12 O ATOM 1950 CB ASN A 126 1.089 2.714 -10.734 1.00 61.12 C ATOM 1951 CG ASN A 126 0.037 1.649 -11.020 1.00 4.33 C ATOM 1952 OD1 ASN A 126 -1.071 1.960 -11.456 1.00 21.41 O ATOM 1953 ND2 ASN A 126 0.369 0.392 -10.768 1.00 22.22 N ATOM 0 H ASN A 126 3.281 1.510 -11.533 1.00 63.25 H new ATOM 0 HA ASN A 126 1.265 3.223 -12.819 1.00 75.12 H new ATOM 0 HB2 ASN A 126 1.746 2.365 -9.937 1.00 61.12 H new ATOM 0 HB3 ASN A 126 0.598 3.616 -10.370 1.00 61.12 H new ATOM 0 HD21 ASN A 126 -0.304 -0.356 -10.935 1.00 22.22 H new ATOM 0 HD22 ASN A 126 1.297 0.172 -10.407 1.00 22.22 H new ATOM 1960 N ILE A 127 4.036 4.282 -11.650 1.00 62.31 N ATOM 1961 CA ILE A 127 4.865 5.493 -11.572 1.00 64.23 C ATOM 1962 C ILE A 127 5.336 5.926 -12.958 1.00 63.54 C ATOM 1963 O ILE A 127 5.044 7.037 -13.408 1.00 2.11 O ATOM 1964 CB ILE A 127 6.108 5.301 -10.661 1.00 61.13 C ATOM 1965 CG1 ILE A 127 5.681 5.087 -9.200 1.00 70.34 C ATOM 1966 CG2 ILE A 127 7.058 6.501 -10.773 1.00 31.20 C ATOM 1967 CD1 ILE A 127 6.849 4.931 -8.252 1.00 42.32 C ATOM 0 H ILE A 127 4.558 3.406 -11.624 1.00 62.31 H new ATOM 0 HA ILE A 127 4.231 6.265 -11.136 1.00 64.23 H new ATOM 0 HB ILE A 127 6.641 4.412 -10.998 1.00 61.13 H new ATOM 0 HG12 ILE A 127 5.072 5.932 -8.879 1.00 70.34 H new ATOM 0 HG13 ILE A 127 5.051 4.199 -9.139 1.00 70.34 H new ATOM 0 HG21 ILE A 127 7.921 6.344 -10.126 1.00 31.20 H new ATOM 0 HG22 ILE A 127 7.393 6.605 -11.805 1.00 31.20 H new ATOM 0 HG23 ILE A 127 6.536 7.408 -10.467 1.00 31.20 H new ATOM 0 HD11 ILE A 127 6.477 4.783 -7.238 1.00 42.32 H new ATOM 0 HD12 ILE A 127 7.446 4.069 -8.549 1.00 42.32 H new ATOM 0 HD13 ILE A 127 7.467 5.828 -8.285 1.00 42.32 H new ATOM 1979 N ASN A 128 6.064 5.040 -13.630 1.00 50.02 N ATOM 1980 CA ASN A 128 6.685 5.361 -14.913 1.00 43.34 C ATOM 1981 C ASN A 128 5.719 5.067 -16.056 1.00 51.33 C ATOM 1982 O ASN A 128 5.011 5.995 -16.492 1.00 24.42 O ATOM 1983 CB ASN A 128 7.991 4.568 -15.095 1.00 30.42 C ATOM 1984 CG ASN A 128 9.075 4.978 -14.112 1.00 20.32 C ATOM 1985 OD1 ASN A 128 9.885 5.861 -14.395 1.00 5.14 O ATOM 1986 ND2 ASN A 128 9.103 4.340 -12.951 1.00 0.02 N ATOM 1987 OXT ASN A 128 5.658 3.903 -16.507 1.00 0.00 O ATOM 0 H ASN A 128 6.240 4.089 -13.306 1.00 50.02 H new ATOM 0 HA ASN A 128 6.925 6.424 -14.925 1.00 43.34 H new ATOM 0 HB2 ASN A 128 7.784 3.505 -14.976 1.00 30.42 H new ATOM 0 HB3 ASN A 128 8.357 4.710 -16.112 1.00 30.42 H new ATOM 0 HD21 ASN A 128 9.812 4.575 -12.257 1.00 0.02 H new ATOM 0 HD22 ASN A 128 8.415 3.614 -12.752 1.00 0.02 H new TER 1994 ASN A 128