USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1184 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 80 THR OG1 : rot 139:sc= -0.667 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.744 K(o=-1.4,f=-3.2!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -175:sc=-0.00859 (180deg=0) USER MOD Set 2.2: A 78 GLN : amide:sc=-0.00844 X(o=-0.017,f=0.43) USER MOD Single : A 4 SER OG : rot -106:sc= 0.185 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 0.0191 (180deg=-0.211) USER MOD Single : A 13 SER OG : rot 180:sc= -0.454 USER MOD Single : A 15 SER OG : rot 180:sc= -1.01 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc=-0.00628 (180deg=-0.0808) USER MOD Single : A 36 GLN : amide:sc= -0.759 K(o=-0.76,f=-5.1!) USER MOD Single : A 45 THR OG1 : rot 145:sc= -0.307 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 63 TYR OH : rot -50:sc= 0.00645 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -167:sc= -0.0811 (180deg=-0.394) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -0.412 K(o=-0.41,f=-2.7) USER MOD Single : A 98 HIS : no HD1:sc= -0.25 X(o=-0.25,f=0.046) USER MOD Single : A 108 THR OG1 : rot 142:sc= -1.34! USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -164:sc= -0.126 (180deg=-0.555) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 121 THR OG1 : rot -1:sc= 0.297 USER MOD Single : A 123 MET CE :methyl -118:sc= -0.82 (180deg=-1.69) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0.829 K(o=0.83,f=-11!) USER MOD Single : A 135 MET CE :methyl -176:sc= -0.128 (180deg=-0.143) USER MOD Single : A 136 GLN : amide:sc= -2.58! K(o=-2.6!,f=-1) USER MOD Single : A 137 LYS NZ :NH3+ -141:sc= 0.669 (180deg=-0.988!) USER MOD Single : A 138 MET CE :methyl 164:sc= -1.19 (180deg=-1.97) USER MOD Single : A 141 MET CE :methyl -163:sc= -0.111 (180deg=-0.483) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 MET CE :methyl 158:sc= 0 (180deg=-0.212) USER MOD Single : A 153 GLN : amide:sc= -3.28! K(o=-3.3!,f=-0.25) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -10.128 0.537 -8.915 1.00 72.03 N ATOM 18 CA VAL A 2 -8.996 -0.062 -9.628 1.00 63.34 C ATOM 19 C VAL A 2 -9.366 -0.205 -11.117 1.00 63.45 C ATOM 20 O VAL A 2 -10.382 -0.822 -11.452 1.00 65.32 O ATOM 21 CB VAL A 2 -8.652 -1.460 -9.011 1.00 41.33 C ATOM 22 CG1 VAL A 2 -7.597 -2.225 -9.852 1.00 72.23 C ATOM 23 CG2 VAL A 2 -8.182 -1.328 -7.540 1.00 61.41 C ATOM 0 HA VAL A 2 -8.118 0.577 -9.533 1.00 63.34 H new ATOM 0 HB VAL A 2 -9.572 -2.044 -9.027 1.00 41.33 H new ATOM 0 HG11 VAL A 2 -7.390 -3.188 -9.386 1.00 72.23 H new ATOM 0 HG12 VAL A 2 -7.981 -2.384 -10.860 1.00 72.23 H new ATOM 0 HG13 VAL A 2 -6.678 -1.641 -9.902 1.00 72.23 H new ATOM 0 HG21 VAL A 2 -7.951 -2.316 -7.142 1.00 61.41 H new ATOM 0 HG22 VAL A 2 -7.290 -0.702 -7.498 1.00 61.41 H new ATOM 0 HG23 VAL A 2 -8.973 -0.873 -6.945 1.00 61.41 H new ATOM 33 N VAL A 3 -8.553 0.381 -11.998 1.00 61.22 N ATOM 34 CA VAL A 3 -8.785 0.350 -13.462 1.00 72.04 C ATOM 35 C VAL A 3 -7.882 -0.690 -14.179 1.00 31.11 C ATOM 36 O VAL A 3 -8.136 -1.031 -15.339 1.00 71.53 O ATOM 37 CB VAL A 3 -8.591 1.787 -14.080 1.00 55.32 C ATOM 38 CG1 VAL A 3 -9.744 2.743 -13.655 1.00 51.53 C ATOM 39 CG2 VAL A 3 -7.221 2.383 -13.677 1.00 73.50 C ATOM 0 H VAL A 3 -7.713 0.893 -11.727 1.00 61.22 H new ATOM 0 HA VAL A 3 -9.816 0.035 -13.622 1.00 72.04 H new ATOM 0 HB VAL A 3 -8.616 1.684 -15.165 1.00 55.32 H new ATOM 0 HG11 VAL A 3 -9.583 3.726 -14.097 1.00 51.53 H new ATOM 0 HG12 VAL A 3 -10.696 2.341 -14.002 1.00 51.53 H new ATOM 0 HG13 VAL A 3 -9.762 2.831 -12.569 1.00 51.53 H new ATOM 0 HG21 VAL A 3 -7.112 3.375 -14.116 1.00 73.50 H new ATOM 0 HG22 VAL A 3 -7.162 2.459 -12.591 1.00 73.50 H new ATOM 0 HG23 VAL A 3 -6.422 1.736 -14.039 1.00 73.50 H new ATOM 49 N SER A 4 -6.840 -1.190 -13.479 1.00 71.11 N ATOM 50 CA SER A 4 -5.915 -2.225 -14.020 1.00 14.03 C ATOM 51 C SER A 4 -5.111 -2.911 -12.883 1.00 62.13 C ATOM 52 O SER A 4 -4.772 -2.275 -11.886 1.00 25.51 O ATOM 53 CB SER A 4 -4.940 -1.596 -15.050 1.00 53.15 C ATOM 54 OG SER A 4 -4.026 -2.546 -15.570 1.00 2.21 O ATOM 0 H SER A 4 -6.613 -0.894 -12.530 1.00 71.11 H new ATOM 0 HA SER A 4 -6.520 -2.983 -14.517 1.00 14.03 H new ATOM 0 HB2 SER A 4 -5.511 -1.158 -15.868 1.00 53.15 H new ATOM 0 HB3 SER A 4 -4.388 -0.784 -14.577 1.00 53.15 H new ATOM 0 HG SER A 4 -3.140 -2.394 -15.181 1.00 2.21 H new ATOM 60 N VAL A 5 -4.842 -4.228 -13.035 1.00 62.40 N ATOM 61 CA VAL A 5 -3.929 -4.997 -12.145 1.00 3.34 C ATOM 62 C VAL A 5 -2.887 -5.749 -13.009 1.00 11.14 C ATOM 63 O VAL A 5 -3.237 -6.584 -13.850 1.00 12.23 O ATOM 64 CB VAL A 5 -4.696 -6.027 -11.215 1.00 53.24 C ATOM 65 CG1 VAL A 5 -3.711 -6.932 -10.411 1.00 20.32 C ATOM 66 CG2 VAL A 5 -5.657 -5.293 -10.246 1.00 35.34 C ATOM 0 H VAL A 5 -5.251 -4.793 -13.779 1.00 62.40 H new ATOM 0 HA VAL A 5 -3.438 -4.281 -11.486 1.00 3.34 H new ATOM 0 HB VAL A 5 -5.282 -6.671 -11.871 1.00 53.24 H new ATOM 0 HG11 VAL A 5 -4.278 -7.623 -9.787 1.00 20.32 H new ATOM 0 HG12 VAL A 5 -3.088 -7.497 -11.104 1.00 20.32 H new ATOM 0 HG13 VAL A 5 -3.078 -6.309 -9.779 1.00 20.32 H new ATOM 0 HG21 VAL A 5 -6.170 -6.023 -9.620 1.00 35.34 H new ATOM 0 HG22 VAL A 5 -5.087 -4.611 -9.615 1.00 35.34 H new ATOM 0 HG23 VAL A 5 -6.391 -4.728 -10.820 1.00 35.34 H new ATOM 76 N ASP A 6 -1.608 -5.431 -12.791 1.00 34.03 N ATOM 77 CA ASP A 6 -0.467 -6.033 -13.506 1.00 35.13 C ATOM 78 C ASP A 6 0.486 -6.708 -12.493 1.00 14.13 C ATOM 79 O ASP A 6 0.836 -6.103 -11.481 1.00 11.04 O ATOM 80 CB ASP A 6 0.279 -4.933 -14.294 1.00 42.13 C ATOM 81 CG ASP A 6 -0.616 -4.241 -15.332 1.00 53.42 C ATOM 82 OD1 ASP A 6 -0.858 -4.835 -16.402 1.00 55.31 O ATOM 83 OD2 ASP A 6 -1.098 -3.116 -15.069 1.00 3.12 O ATOM 0 H ASP A 6 -1.326 -4.735 -12.101 1.00 34.03 H new ATOM 0 HA ASP A 6 -0.827 -6.789 -14.203 1.00 35.13 H new ATOM 0 HB2 ASP A 6 0.663 -4.188 -13.597 1.00 42.13 H new ATOM 0 HB3 ASP A 6 1.140 -5.372 -14.797 1.00 42.13 H new ATOM 88 N LYS A 7 0.899 -7.964 -12.758 1.00 31.30 N ATOM 89 CA LYS A 7 1.826 -8.702 -11.866 1.00 73.44 C ATOM 90 C LYS A 7 2.940 -9.390 -12.683 1.00 11.23 C ATOM 91 O LYS A 7 2.706 -10.391 -13.372 1.00 34.13 O ATOM 92 CB LYS A 7 1.043 -9.732 -11.012 1.00 13.32 C ATOM 93 CG LYS A 7 1.896 -10.421 -9.921 1.00 41.00 C ATOM 94 CD LYS A 7 1.073 -11.332 -8.982 1.00 43.41 C ATOM 95 CE LYS A 7 0.444 -12.536 -9.702 1.00 34.20 C ATOM 96 NZ LYS A 7 -0.508 -13.271 -8.832 1.00 73.54 N ATOM 0 H LYS A 7 0.607 -8.491 -13.581 1.00 31.30 H new ATOM 0 HA LYS A 7 2.301 -7.990 -11.191 1.00 73.44 H new ATOM 0 HB2 LYS A 7 0.201 -9.229 -10.537 1.00 13.32 H new ATOM 0 HB3 LYS A 7 0.629 -10.495 -11.671 1.00 13.32 H new ATOM 0 HG2 LYS A 7 2.675 -11.015 -10.400 1.00 41.00 H new ATOM 0 HG3 LYS A 7 2.398 -9.657 -9.326 1.00 41.00 H new ATOM 0 HD2 LYS A 7 1.717 -11.693 -8.180 1.00 43.41 H new ATOM 0 HD3 LYS A 7 0.283 -10.743 -8.516 1.00 43.41 H new ATOM 0 HE2 LYS A 7 -0.075 -12.192 -10.597 1.00 34.20 H new ATOM 0 HE3 LYS A 7 1.232 -13.214 -10.030 1.00 34.20 H new ATOM 0 HZ1 LYS A 7 -0.648 -14.232 -9.204 1.00 73.54 H new ATOM 0 HZ2 LYS A 7 -0.125 -13.326 -7.867 1.00 73.54 H new ATOM 0 HZ3 LYS A 7 -1.420 -12.771 -8.814 1.00 73.54 H new ATOM 110 N ASP A 8 4.149 -8.822 -12.614 1.00 14.22 N ATOM 111 CA ASP A 8 5.347 -9.354 -13.286 1.00 64.35 C ATOM 112 C ASP A 8 6.141 -10.241 -12.303 1.00 22.33 C ATOM 113 O ASP A 8 7.012 -9.767 -11.571 1.00 62.35 O ATOM 114 CB ASP A 8 6.213 -8.181 -13.812 1.00 43.11 C ATOM 115 CG ASP A 8 5.418 -7.219 -14.710 1.00 45.13 C ATOM 116 OD1 ASP A 8 4.755 -6.303 -14.173 1.00 25.10 O ATOM 117 OD2 ASP A 8 5.434 -7.381 -15.948 1.00 32.24 O ATOM 0 H ASP A 8 4.329 -7.969 -12.084 1.00 14.22 H new ATOM 0 HA ASP A 8 5.054 -9.968 -14.137 1.00 64.35 H new ATOM 0 HB2 ASP A 8 6.623 -7.629 -12.966 1.00 43.11 H new ATOM 0 HB3 ASP A 8 7.059 -8.580 -14.372 1.00 43.11 H new ATOM 122 N VAL A 9 5.799 -11.536 -12.279 1.00 63.54 N ATOM 123 CA VAL A 9 6.363 -12.522 -11.325 1.00 71.23 C ATOM 124 C VAL A 9 7.834 -12.873 -11.676 1.00 11.12 C ATOM 125 O VAL A 9 8.633 -13.207 -10.799 1.00 45.34 O ATOM 126 CB VAL A 9 5.470 -13.822 -11.294 1.00 43.53 C ATOM 127 CG1 VAL A 9 5.904 -14.800 -10.172 1.00 44.11 C ATOM 128 CG2 VAL A 9 3.970 -13.454 -11.145 1.00 30.22 C ATOM 0 H VAL A 9 5.119 -11.940 -12.923 1.00 63.54 H new ATOM 0 HA VAL A 9 6.362 -12.072 -10.332 1.00 71.23 H new ATOM 0 HB VAL A 9 5.614 -14.334 -12.246 1.00 43.53 H new ATOM 0 HG11 VAL A 9 5.262 -15.680 -10.188 1.00 44.11 H new ATOM 0 HG12 VAL A 9 6.939 -15.103 -10.333 1.00 44.11 H new ATOM 0 HG13 VAL A 9 5.817 -14.305 -9.205 1.00 44.11 H new ATOM 0 HG21 VAL A 9 3.372 -14.365 -11.126 1.00 30.22 H new ATOM 0 HG22 VAL A 9 3.821 -12.903 -10.217 1.00 30.22 H new ATOM 0 HG23 VAL A 9 3.662 -12.835 -11.988 1.00 30.22 H new ATOM 138 N GLU A 10 8.179 -12.759 -12.972 1.00 63.23 N ATOM 139 CA GLU A 10 9.560 -12.954 -13.474 1.00 43.04 C ATOM 140 C GLU A 10 10.462 -11.736 -13.137 1.00 20.51 C ATOM 141 O GLU A 10 11.681 -11.869 -13.014 1.00 71.22 O ATOM 142 CB GLU A 10 9.523 -13.189 -15.006 1.00 3.51 C ATOM 143 CG GLU A 10 8.982 -12.001 -15.833 1.00 14.13 C ATOM 144 CD GLU A 10 8.760 -12.360 -17.310 1.00 12.31 C ATOM 145 OE1 GLU A 10 9.722 -12.328 -18.106 1.00 12.02 O ATOM 146 OE2 GLU A 10 7.616 -12.717 -17.669 1.00 1.14 O ATOM 0 H GLU A 10 7.509 -12.529 -13.706 1.00 63.23 H new ATOM 0 HA GLU A 10 9.988 -13.827 -12.980 1.00 43.04 H new ATOM 0 HB2 GLU A 10 10.532 -13.422 -15.348 1.00 3.51 H new ATOM 0 HB3 GLU A 10 8.907 -14.065 -15.210 1.00 3.51 H new ATOM 0 HG2 GLU A 10 8.041 -11.661 -15.400 1.00 14.13 H new ATOM 0 HG3 GLU A 10 9.682 -11.169 -15.767 1.00 14.13 H new ATOM 153 N ALA A 11 9.838 -10.551 -13.011 1.00 63.05 N ATOM 154 CA ALA A 11 10.524 -9.286 -12.649 1.00 62.35 C ATOM 155 C ALA A 11 10.381 -8.963 -11.138 1.00 14.41 C ATOM 156 O ALA A 11 10.954 -7.981 -10.659 1.00 34.34 O ATOM 157 CB ALA A 11 9.962 -8.133 -13.499 1.00 34.42 C ATOM 0 H ALA A 11 8.835 -10.438 -13.158 1.00 63.05 H new ATOM 0 HA ALA A 11 11.588 -9.407 -12.854 1.00 62.35 H new ATOM 0 HB1 ALA A 11 10.467 -7.205 -13.232 1.00 34.42 H new ATOM 0 HB2 ALA A 11 10.128 -8.345 -14.555 1.00 34.42 H new ATOM 0 HB3 ALA A 11 8.893 -8.031 -13.313 1.00 34.42 H new ATOM 163 N LEU A 12 9.616 -9.814 -10.414 1.00 15.43 N ATOM 164 CA LEU A 12 9.319 -9.666 -8.963 1.00 54.52 C ATOM 165 C LEU A 12 8.673 -8.299 -8.610 1.00 41.12 C ATOM 166 O LEU A 12 8.889 -7.763 -7.529 1.00 25.20 O ATOM 167 CB LEU A 12 10.602 -9.930 -8.113 1.00 13.22 C ATOM 168 CG LEU A 12 11.285 -11.315 -8.336 1.00 15.13 C ATOM 169 CD1 LEU A 12 12.542 -11.474 -7.452 1.00 54.50 C ATOM 170 CD2 LEU A 12 10.285 -12.465 -8.097 1.00 62.21 C ATOM 0 H LEU A 12 9.179 -10.638 -10.826 1.00 15.43 H new ATOM 0 HA LEU A 12 8.573 -10.420 -8.713 1.00 54.52 H new ATOM 0 HB2 LEU A 12 11.328 -9.147 -8.332 1.00 13.22 H new ATOM 0 HB3 LEU A 12 10.343 -9.838 -7.058 1.00 13.22 H new ATOM 0 HG LEU A 12 11.610 -11.362 -9.375 1.00 15.13 H new ATOM 0 HD11 LEU A 12 12.993 -12.450 -7.633 1.00 54.50 H new ATOM 0 HD12 LEU A 12 13.260 -10.692 -7.697 1.00 54.50 H new ATOM 0 HD13 LEU A 12 12.261 -11.393 -6.402 1.00 54.50 H new ATOM 0 HD21 LEU A 12 10.784 -13.421 -8.258 1.00 62.21 H new ATOM 0 HD22 LEU A 12 9.914 -12.418 -7.073 1.00 62.21 H new ATOM 0 HD23 LEU A 12 9.449 -12.370 -8.790 1.00 62.21 H new ATOM 182 N SER A 13 7.859 -7.758 -9.528 1.00 51.03 N ATOM 183 CA SER A 13 7.153 -6.467 -9.342 1.00 3.34 C ATOM 184 C SER A 13 5.625 -6.653 -9.490 1.00 0.25 C ATOM 185 O SER A 13 5.160 -7.280 -10.440 1.00 3.24 O ATOM 186 CB SER A 13 7.678 -5.425 -10.359 1.00 73.12 C ATOM 187 OG SER A 13 7.567 -5.896 -11.697 1.00 21.01 O ATOM 0 H SER A 13 7.666 -8.200 -10.427 1.00 51.03 H new ATOM 0 HA SER A 13 7.351 -6.103 -8.334 1.00 3.34 H new ATOM 0 HB2 SER A 13 7.117 -4.497 -10.252 1.00 73.12 H new ATOM 0 HB3 SER A 13 8.720 -5.195 -10.139 1.00 73.12 H new ATOM 0 HG SER A 13 7.906 -5.213 -12.313 1.00 21.01 H new ATOM 193 N PHE A 14 4.853 -6.108 -8.535 1.00 51.52 N ATOM 194 CA PHE A 14 3.373 -6.172 -8.534 1.00 54.00 C ATOM 195 C PHE A 14 2.799 -4.737 -8.599 1.00 33.04 C ATOM 196 O PHE A 14 2.788 -4.012 -7.605 1.00 1.33 O ATOM 197 CB PHE A 14 2.896 -6.928 -7.260 1.00 55.21 C ATOM 198 CG PHE A 14 1.377 -7.023 -7.074 1.00 63.24 C ATOM 199 CD1 PHE A 14 0.551 -7.456 -8.114 1.00 72.21 C ATOM 200 CD2 PHE A 14 0.781 -6.697 -5.855 1.00 62.21 C ATOM 201 CE1 PHE A 14 -0.814 -7.559 -7.943 1.00 3.34 C ATOM 202 CE2 PHE A 14 -0.584 -6.799 -5.685 1.00 13.41 C ATOM 203 CZ PHE A 14 -1.380 -7.230 -6.727 1.00 22.25 C ATOM 0 H PHE A 14 5.236 -5.606 -7.734 1.00 51.52 H new ATOM 0 HA PHE A 14 3.012 -6.717 -9.406 1.00 54.00 H new ATOM 0 HB2 PHE A 14 3.305 -7.938 -7.285 1.00 55.21 H new ATOM 0 HB3 PHE A 14 3.321 -6.434 -6.386 1.00 55.21 H new ATOM 0 HD1 PHE A 14 0.988 -7.714 -9.067 1.00 72.21 H new ATOM 0 HD2 PHE A 14 1.397 -6.360 -5.034 1.00 62.21 H new ATOM 0 HE1 PHE A 14 -1.438 -7.896 -8.758 1.00 3.34 H new ATOM 0 HE2 PHE A 14 -1.030 -6.541 -4.736 1.00 13.41 H new ATOM 0 HZ PHE A 14 -2.448 -7.310 -6.591 1.00 22.25 H new ATOM 213 N SER A 15 2.308 -4.353 -9.784 1.00 75.42 N ATOM 214 CA SER A 15 1.862 -2.973 -10.088 1.00 24.24 C ATOM 215 C SER A 15 0.329 -2.892 -10.262 1.00 0.23 C ATOM 216 O SER A 15 -0.216 -3.420 -11.229 1.00 24.55 O ATOM 217 CB SER A 15 2.583 -2.476 -11.368 1.00 72.21 C ATOM 218 OG SER A 15 2.396 -3.360 -12.461 1.00 61.13 O ATOM 0 H SER A 15 2.205 -4.993 -10.572 1.00 75.42 H new ATOM 0 HA SER A 15 2.122 -2.331 -9.246 1.00 24.24 H new ATOM 0 HB2 SER A 15 2.209 -1.487 -11.634 1.00 72.21 H new ATOM 0 HB3 SER A 15 3.649 -2.370 -11.166 1.00 72.21 H new ATOM 0 HG SER A 15 2.864 -3.011 -13.248 1.00 61.13 H new ATOM 224 N ILE A 16 -0.367 -2.226 -9.322 1.00 1.33 N ATOM 225 CA ILE A 16 -1.825 -1.979 -9.428 1.00 3.13 C ATOM 226 C ILE A 16 -2.061 -0.522 -9.861 1.00 73.03 C ATOM 227 O ILE A 16 -1.582 0.413 -9.208 1.00 52.05 O ATOM 228 CB ILE A 16 -2.575 -2.235 -8.067 1.00 2.25 C ATOM 229 CG1 ILE A 16 -2.338 -3.695 -7.575 1.00 23.32 C ATOM 230 CG2 ILE A 16 -4.100 -1.931 -8.191 1.00 42.12 C ATOM 231 CD1 ILE A 16 -2.926 -3.997 -6.208 1.00 33.22 C ATOM 0 H ILE A 16 0.056 -1.846 -8.475 1.00 1.33 H new ATOM 0 HA ILE A 16 -2.224 -2.676 -10.165 1.00 3.13 H new ATOM 0 HB ILE A 16 -2.162 -1.551 -7.325 1.00 2.25 H new ATOM 0 HG12 ILE A 16 -2.766 -4.385 -8.302 1.00 23.32 H new ATOM 0 HG13 ILE A 16 -1.265 -3.887 -7.547 1.00 23.32 H new ATOM 0 HG21 ILE A 16 -4.587 -2.118 -7.234 1.00 42.12 H new ATOM 0 HG22 ILE A 16 -4.241 -0.887 -8.472 1.00 42.12 H new ATOM 0 HG23 ILE A 16 -4.539 -2.575 -8.953 1.00 42.12 H new ATOM 0 HD11 ILE A 16 -2.716 -5.033 -5.942 1.00 33.22 H new ATOM 0 HD12 ILE A 16 -2.480 -3.335 -5.466 1.00 33.22 H new ATOM 0 HD13 ILE A 16 -4.004 -3.841 -6.233 1.00 33.22 H new ATOM 243 N VAL A 17 -2.793 -0.350 -10.963 1.00 21.35 N ATOM 244 CA VAL A 17 -3.139 0.965 -11.512 1.00 51.55 C ATOM 245 C VAL A 17 -4.593 1.312 -11.122 1.00 70.45 C ATOM 246 O VAL A 17 -5.534 0.581 -11.454 1.00 22.33 O ATOM 247 CB VAL A 17 -2.977 0.977 -13.075 1.00 43.11 C ATOM 248 CG1 VAL A 17 -3.241 2.387 -13.666 1.00 3.24 C ATOM 249 CG2 VAL A 17 -1.581 0.445 -13.487 1.00 15.11 C ATOM 0 H VAL A 17 -3.167 -1.128 -11.507 1.00 21.35 H new ATOM 0 HA VAL A 17 -2.462 1.712 -11.098 1.00 51.55 H new ATOM 0 HB VAL A 17 -3.730 0.308 -13.492 1.00 43.11 H new ATOM 0 HG11 VAL A 17 -3.120 2.356 -14.749 1.00 3.24 H new ATOM 0 HG12 VAL A 17 -4.257 2.699 -13.423 1.00 3.24 H new ATOM 0 HG13 VAL A 17 -2.532 3.098 -13.242 1.00 3.24 H new ATOM 0 HG21 VAL A 17 -1.491 0.462 -14.573 1.00 15.11 H new ATOM 0 HG22 VAL A 17 -0.807 1.076 -13.049 1.00 15.11 H new ATOM 0 HG23 VAL A 17 -1.461 -0.578 -13.129 1.00 15.11 H new ATOM 259 N ALA A 18 -4.754 2.420 -10.402 1.00 41.54 N ATOM 260 CA ALA A 18 -6.060 2.913 -9.921 1.00 2.55 C ATOM 261 C ALA A 18 -6.254 4.382 -10.336 1.00 5.32 C ATOM 262 O ALA A 18 -5.280 5.120 -10.458 1.00 44.31 O ATOM 263 CB ALA A 18 -6.130 2.764 -8.392 1.00 44.34 C ATOM 0 H ALA A 18 -3.973 3.016 -10.127 1.00 41.54 H new ATOM 0 HA ALA A 18 -6.861 2.325 -10.369 1.00 2.55 H new ATOM 0 HB1 ALA A 18 -7.094 3.127 -8.035 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -6.016 1.714 -8.123 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -5.330 3.345 -7.933 1.00 44.34 H new ATOM 269 N GLU A 19 -7.509 4.804 -10.577 1.00 21.41 N ATOM 270 CA GLU A 19 -7.839 6.211 -10.936 1.00 52.52 C ATOM 271 C GLU A 19 -9.040 6.713 -10.115 1.00 12.55 C ATOM 272 O GLU A 19 -10.086 6.062 -10.059 1.00 71.22 O ATOM 273 CB GLU A 19 -8.115 6.343 -12.461 1.00 21.14 C ATOM 274 CG GLU A 19 -6.858 6.168 -13.345 1.00 23.51 C ATOM 275 CD GLU A 19 -7.134 6.291 -14.848 1.00 43.01 C ATOM 276 OE1 GLU A 19 -7.574 7.369 -15.285 1.00 32.54 O ATOM 277 OE2 GLU A 19 -6.898 5.322 -15.600 1.00 4.53 O ATOM 0 H GLU A 19 -8.323 4.191 -10.531 1.00 21.41 H new ATOM 0 HA GLU A 19 -6.978 6.835 -10.695 1.00 52.52 H new ATOM 0 HB2 GLU A 19 -8.857 5.599 -12.751 1.00 21.14 H new ATOM 0 HB3 GLU A 19 -8.551 7.322 -12.657 1.00 21.14 H new ATOM 0 HG2 GLU A 19 -6.118 6.915 -13.059 1.00 23.51 H new ATOM 0 HG3 GLU A 19 -6.418 5.191 -13.145 1.00 23.51 H new ATOM 284 N PHE A 20 -8.864 7.879 -9.473 1.00 34.15 N ATOM 285 CA PHE A 20 -9.877 8.503 -8.589 1.00 64.24 C ATOM 286 C PHE A 20 -10.171 9.932 -9.066 1.00 22.40 C ATOM 287 O PHE A 20 -9.239 10.683 -9.387 1.00 63.15 O ATOM 288 CB PHE A 20 -9.372 8.513 -7.118 1.00 3.21 C ATOM 289 CG PHE A 20 -9.025 7.119 -6.597 1.00 72.11 C ATOM 290 CD1 PHE A 20 -10.030 6.224 -6.230 1.00 21.34 C ATOM 291 CD2 PHE A 20 -7.697 6.693 -6.512 1.00 10.41 C ATOM 292 CE1 PHE A 20 -9.718 4.953 -5.800 1.00 34.34 C ATOM 293 CE2 PHE A 20 -7.390 5.422 -6.075 1.00 64.00 C ATOM 294 CZ PHE A 20 -8.401 4.552 -5.721 1.00 3.12 C ATOM 0 H PHE A 20 -8.006 8.426 -9.550 1.00 34.15 H new ATOM 0 HA PHE A 20 -10.797 7.921 -8.633 1.00 64.24 H new ATOM 0 HB2 PHE A 20 -8.491 9.151 -7.046 1.00 3.21 H new ATOM 0 HB3 PHE A 20 -10.138 8.953 -6.480 1.00 3.21 H new ATOM 0 HD1 PHE A 20 -11.064 6.531 -6.284 1.00 21.34 H new ATOM 0 HD2 PHE A 20 -6.901 7.368 -6.792 1.00 10.41 H new ATOM 0 HE1 PHE A 20 -10.507 4.269 -5.524 1.00 34.34 H new ATOM 0 HE2 PHE A 20 -6.359 5.107 -6.010 1.00 64.00 H new ATOM 0 HZ PHE A 20 -8.160 3.555 -5.382 1.00 3.12 H new ATOM 304 N ASP A 21 -11.461 10.305 -9.114 1.00 1.22 N ATOM 305 CA ASP A 21 -11.887 11.643 -9.566 1.00 64.43 C ATOM 306 C ASP A 21 -11.643 12.707 -8.453 1.00 42.33 C ATOM 307 O ASP A 21 -12.522 13.040 -7.652 1.00 42.23 O ATOM 308 CB ASP A 21 -13.364 11.606 -10.058 1.00 23.50 C ATOM 309 CG ASP A 21 -14.354 11.005 -9.038 1.00 14.04 C ATOM 310 OD1 ASP A 21 -14.391 9.766 -8.888 1.00 23.35 O ATOM 311 OD2 ASP A 21 -15.110 11.762 -8.397 1.00 11.03 O ATOM 0 H ASP A 21 -12.232 9.695 -8.844 1.00 1.22 H new ATOM 0 HA ASP A 21 -11.278 11.944 -10.419 1.00 64.43 H new ATOM 0 HB2 ASP A 21 -13.680 12.621 -10.300 1.00 23.50 H new ATOM 0 HB3 ASP A 21 -13.414 11.028 -10.981 1.00 23.50 H new ATOM 316 N ALA A 22 -10.402 13.208 -8.429 1.00 31.31 N ATOM 317 CA ALA A 22 -9.906 14.187 -7.439 1.00 65.51 C ATOM 318 C ALA A 22 -8.564 14.780 -7.934 1.00 14.21 C ATOM 319 O ALA A 22 -8.161 14.564 -9.078 1.00 72.23 O ATOM 320 CB ALA A 22 -9.738 13.514 -6.053 1.00 4.50 C ATOM 0 H ALA A 22 -9.693 12.941 -9.112 1.00 31.31 H new ATOM 0 HA ALA A 22 -10.630 14.995 -7.331 1.00 65.51 H new ATOM 0 HB1 ALA A 22 -9.372 14.247 -5.334 1.00 4.50 H new ATOM 0 HB2 ALA A 22 -10.700 13.126 -5.718 1.00 4.50 H new ATOM 0 HB3 ALA A 22 -9.024 12.694 -6.131 1.00 4.50 H new ATOM 326 N ASP A 23 -7.881 15.539 -7.072 1.00 43.03 N ATOM 327 CA ASP A 23 -6.539 16.082 -7.365 1.00 10.11 C ATOM 328 C ASP A 23 -5.444 15.279 -6.634 1.00 42.43 C ATOM 329 O ASP A 23 -5.715 14.572 -5.654 1.00 61.44 O ATOM 330 CB ASP A 23 -6.467 17.577 -6.984 1.00 42.41 C ATOM 331 CG ASP A 23 -6.894 17.850 -5.534 1.00 22.22 C ATOM 332 OD1 ASP A 23 -8.110 17.891 -5.261 1.00 2.24 O ATOM 333 OD2 ASP A 23 -6.023 18.017 -4.663 1.00 60.22 O ATOM 0 H ASP A 23 -8.237 15.797 -6.152 1.00 43.03 H new ATOM 0 HA ASP A 23 -6.362 15.989 -8.437 1.00 10.11 H new ATOM 0 HB2 ASP A 23 -5.448 17.934 -7.130 1.00 42.41 H new ATOM 0 HB3 ASP A 23 -7.105 18.149 -7.658 1.00 42.41 H new ATOM 338 N VAL A 24 -4.210 15.421 -7.140 1.00 4.24 N ATOM 339 CA VAL A 24 -2.998 14.734 -6.626 1.00 12.03 C ATOM 340 C VAL A 24 -2.768 14.990 -5.123 1.00 72.12 C ATOM 341 O VAL A 24 -2.349 14.096 -4.398 1.00 34.12 O ATOM 342 CB VAL A 24 -1.726 15.186 -7.434 1.00 34.55 C ATOM 343 CG1 VAL A 24 -0.427 14.506 -6.937 1.00 64.15 C ATOM 344 CG2 VAL A 24 -1.917 14.926 -8.933 1.00 61.03 C ATOM 0 H VAL A 24 -4.014 16.028 -7.936 1.00 4.24 H new ATOM 0 HA VAL A 24 -3.163 13.665 -6.760 1.00 12.03 H new ATOM 0 HB VAL A 24 -1.614 16.257 -7.263 1.00 34.55 H new ATOM 0 HG11 VAL A 24 0.417 14.856 -7.531 1.00 64.15 H new ATOM 0 HG12 VAL A 24 -0.262 14.758 -5.889 1.00 64.15 H new ATOM 0 HG13 VAL A 24 -0.520 13.425 -7.040 1.00 64.15 H new ATOM 0 HG21 VAL A 24 -1.026 15.245 -9.474 1.00 61.03 H new ATOM 0 HG22 VAL A 24 -2.080 13.861 -9.100 1.00 61.03 H new ATOM 0 HG23 VAL A 24 -2.780 15.486 -9.292 1.00 61.03 H new ATOM 354 N LYS A 25 -3.081 16.215 -4.678 1.00 31.40 N ATOM 355 CA LYS A 25 -2.896 16.651 -3.274 1.00 62.43 C ATOM 356 C LYS A 25 -3.877 15.904 -2.331 1.00 71.02 C ATOM 357 O LYS A 25 -3.524 15.531 -1.206 1.00 42.43 O ATOM 358 CB LYS A 25 -3.129 18.187 -3.171 1.00 30.11 C ATOM 359 CG LYS A 25 -2.394 19.033 -4.239 1.00 23.32 C ATOM 360 CD LYS A 25 -0.856 18.938 -4.147 1.00 1.22 C ATOM 361 CE LYS A 25 -0.151 19.753 -5.248 1.00 22.21 C ATOM 362 NZ LYS A 25 -0.486 21.198 -5.184 1.00 72.24 N ATOM 0 H LYS A 25 -3.472 16.940 -5.280 1.00 31.40 H new ATOM 0 HA LYS A 25 -1.878 16.414 -2.966 1.00 62.43 H new ATOM 0 HB2 LYS A 25 -4.199 18.383 -3.247 1.00 30.11 H new ATOM 0 HB3 LYS A 25 -2.813 18.522 -2.183 1.00 30.11 H new ATOM 0 HG2 LYS A 25 -2.712 18.709 -5.230 1.00 23.32 H new ATOM 0 HG3 LYS A 25 -2.693 20.076 -4.134 1.00 23.32 H new ATOM 0 HD2 LYS A 25 -0.530 19.295 -3.170 1.00 1.22 H new ATOM 0 HD3 LYS A 25 -0.554 17.893 -4.222 1.00 1.22 H new ATOM 0 HE2 LYS A 25 0.928 19.628 -5.154 1.00 22.21 H new ATOM 0 HE3 LYS A 25 -0.434 19.360 -6.225 1.00 22.21 H new ATOM 0 HZ1 LYS A 25 0.100 21.721 -5.865 1.00 72.24 H new ATOM 0 HZ2 LYS A 25 -1.491 21.332 -5.417 1.00 72.24 H new ATOM 0 HZ3 LYS A 25 -0.303 21.555 -4.224 1.00 72.24 H new ATOM 376 N ARG A 26 -5.106 15.686 -2.841 1.00 63.10 N ATOM 377 CA ARG A 26 -6.188 14.986 -2.113 1.00 4.23 C ATOM 378 C ARG A 26 -5.881 13.472 -1.955 1.00 61.52 C ATOM 379 O ARG A 26 -6.079 12.889 -0.886 1.00 40.32 O ATOM 380 CB ARG A 26 -7.539 15.183 -2.857 1.00 31.53 C ATOM 381 CG ARG A 26 -8.775 14.668 -2.087 1.00 13.32 C ATOM 382 CD ARG A 26 -9.050 15.477 -0.803 1.00 54.12 C ATOM 383 NE ARG A 26 -10.085 14.861 0.044 1.00 71.25 N ATOM 384 CZ ARG A 26 -11.359 15.185 0.063 1.00 71.12 C ATOM 385 NH1 ARG A 26 -11.864 16.048 -0.766 1.00 10.22 N ATOM 386 NH2 ARG A 26 -12.130 14.616 0.926 1.00 1.24 N ATOM 0 H ARG A 26 -5.379 15.992 -3.775 1.00 63.10 H new ATOM 0 HA ARG A 26 -6.257 15.417 -1.114 1.00 4.23 H new ATOM 0 HB2 ARG A 26 -7.673 16.244 -3.066 1.00 31.53 H new ATOM 0 HB3 ARG A 26 -7.487 14.673 -3.819 1.00 31.53 H new ATOM 0 HG2 ARG A 26 -9.649 14.715 -2.736 1.00 13.32 H new ATOM 0 HG3 ARG A 26 -8.627 13.620 -1.827 1.00 13.32 H new ATOM 0 HD2 ARG A 26 -8.126 15.570 -0.232 1.00 54.12 H new ATOM 0 HD3 ARG A 26 -9.360 16.486 -1.073 1.00 54.12 H new ATOM 0 HE ARG A 26 -9.787 14.115 0.673 1.00 71.25 H new ATOM 0 HH11 ARG A 26 -11.267 16.498 -1.460 1.00 10.22 H new ATOM 0 HH12 ARG A 26 -12.857 16.276 -0.723 1.00 10.22 H new ATOM 0 HH21 ARG A 26 -11.748 13.929 1.576 1.00 1.24 H new ATOM 0 HH22 ARG A 26 -13.122 14.853 0.958 1.00 1.24 H new ATOM 400 N VAL A 27 -5.410 12.855 -3.051 1.00 41.52 N ATOM 401 CA VAL A 27 -5.039 11.418 -3.086 1.00 4.00 C ATOM 402 C VAL A 27 -3.691 11.168 -2.341 1.00 54.11 C ATOM 403 O VAL A 27 -3.428 10.080 -1.853 1.00 44.41 O ATOM 404 CB VAL A 27 -4.995 10.872 -4.568 1.00 11.44 C ATOM 405 CG1 VAL A 27 -4.831 9.325 -4.607 1.00 75.51 C ATOM 406 CG2 VAL A 27 -6.260 11.307 -5.363 1.00 0.44 C ATOM 0 H VAL A 27 -5.273 13.333 -3.942 1.00 41.52 H new ATOM 0 HA VAL A 27 -5.813 10.860 -2.559 1.00 4.00 H new ATOM 0 HB VAL A 27 -4.120 11.311 -5.047 1.00 11.44 H new ATOM 0 HG11 VAL A 27 -4.805 8.988 -5.643 1.00 75.51 H new ATOM 0 HG12 VAL A 27 -3.902 9.045 -4.111 1.00 75.51 H new ATOM 0 HG13 VAL A 27 -5.671 8.857 -4.094 1.00 75.51 H new ATOM 0 HG21 VAL A 27 -6.203 10.917 -6.379 1.00 0.44 H new ATOM 0 HG22 VAL A 27 -7.151 10.914 -4.873 1.00 0.44 H new ATOM 0 HG23 VAL A 27 -6.314 12.395 -5.394 1.00 0.44 H new ATOM 416 N TRP A 28 -2.815 12.185 -2.315 1.00 33.45 N ATOM 417 CA TRP A 28 -1.578 12.171 -1.485 1.00 74.55 C ATOM 418 C TRP A 28 -1.910 12.187 0.022 1.00 1.25 C ATOM 419 O TRP A 28 -1.219 11.553 0.824 1.00 31.32 O ATOM 420 CB TRP A 28 -0.681 13.379 -1.854 1.00 44.10 C ATOM 421 CG TRP A 28 0.658 13.424 -1.143 1.00 75.55 C ATOM 422 CD1 TRP A 28 1.046 14.280 -0.142 1.00 34.45 C ATOM 423 CD2 TRP A 28 1.784 12.567 -1.393 1.00 1.51 C ATOM 424 NE1 TRP A 28 2.338 14.009 0.228 1.00 74.24 N ATOM 425 CE2 TRP A 28 2.812 12.965 -0.527 1.00 62.43 C ATOM 426 CE3 TRP A 28 2.019 11.505 -2.275 1.00 32.04 C ATOM 427 CZ2 TRP A 28 4.056 12.340 -0.521 1.00 22.31 C ATOM 428 CZ3 TRP A 28 3.251 10.892 -2.266 1.00 14.00 C ATOM 429 CH2 TRP A 28 4.256 11.312 -1.393 1.00 74.14 C ATOM 0 H TRP A 28 -2.934 13.039 -2.861 1.00 33.45 H new ATOM 0 HA TRP A 28 -1.039 11.247 -1.694 1.00 74.55 H new ATOM 0 HB2 TRP A 28 -0.504 13.366 -2.929 1.00 44.10 H new ATOM 0 HB3 TRP A 28 -1.225 14.297 -1.632 1.00 44.10 H new ATOM 0 HD1 TRP A 28 0.426 15.052 0.290 1.00 34.45 H new ATOM 0 HE1 TRP A 28 2.863 14.504 0.949 1.00 74.24 H new ATOM 0 HE3 TRP A 28 1.246 11.172 -2.952 1.00 32.04 H new ATOM 0 HZ2 TRP A 28 4.837 12.659 0.153 1.00 22.31 H new ATOM 0 HZ3 TRP A 28 3.443 10.074 -2.944 1.00 14.00 H new ATOM 0 HH2 TRP A 28 5.213 10.811 -1.409 1.00 74.14 H new ATOM 440 N ALA A 29 -2.979 12.923 0.381 1.00 31.51 N ATOM 441 CA ALA A 29 -3.442 13.072 1.779 1.00 32.10 C ATOM 442 C ALA A 29 -3.790 11.711 2.448 1.00 71.21 C ATOM 443 O ALA A 29 -3.560 11.533 3.643 1.00 42.30 O ATOM 444 CB ALA A 29 -4.644 14.025 1.826 1.00 71.13 C ATOM 0 H ALA A 29 -3.550 13.434 -0.292 1.00 31.51 H new ATOM 0 HA ALA A 29 -2.617 13.493 2.354 1.00 32.10 H new ATOM 0 HB1 ALA A 29 -4.983 14.133 2.856 1.00 71.13 H new ATOM 0 HB2 ALA A 29 -4.351 15.000 1.437 1.00 71.13 H new ATOM 0 HB3 ALA A 29 -5.453 13.620 1.218 1.00 71.13 H new ATOM 450 N ILE A 30 -4.312 10.744 1.655 1.00 14.31 N ATOM 451 CA ILE A 30 -4.701 9.397 2.173 1.00 44.32 C ATOM 452 C ILE A 30 -3.461 8.504 2.493 1.00 24.41 C ATOM 453 O ILE A 30 -3.609 7.403 3.007 1.00 42.10 O ATOM 454 CB ILE A 30 -5.660 8.632 1.178 1.00 70.12 C ATOM 455 CG1 ILE A 30 -4.866 8.082 -0.048 1.00 42.14 C ATOM 456 CG2 ILE A 30 -6.830 9.546 0.732 1.00 11.22 C ATOM 457 CD1 ILE A 30 -5.681 7.369 -1.100 1.00 62.33 C ATOM 0 H ILE A 30 -4.476 10.865 0.656 1.00 14.31 H new ATOM 0 HA ILE A 30 -5.240 9.584 3.102 1.00 44.32 H new ATOM 0 HB ILE A 30 -6.088 7.778 1.703 1.00 70.12 H new ATOM 0 HG12 ILE A 30 -4.346 8.915 -0.522 1.00 42.14 H new ATOM 0 HG13 ILE A 30 -4.102 7.396 0.318 1.00 42.14 H new ATOM 0 HG21 ILE A 30 -7.478 8.999 0.047 1.00 11.22 H new ATOM 0 HG22 ILE A 30 -7.404 9.855 1.606 1.00 11.22 H new ATOM 0 HG23 ILE A 30 -6.432 10.427 0.229 1.00 11.22 H new ATOM 0 HD11 ILE A 30 -5.024 7.031 -1.902 1.00 62.33 H new ATOM 0 HD12 ILE A 30 -6.180 6.509 -0.653 1.00 62.33 H new ATOM 0 HD13 ILE A 30 -6.428 8.051 -1.506 1.00 62.33 H new ATOM 469 N TRP A 31 -2.257 8.968 2.108 1.00 43.11 N ATOM 470 CA TRP A 31 -0.964 8.323 2.459 1.00 4.34 C ATOM 471 C TRP A 31 -0.226 9.128 3.547 1.00 74.53 C ATOM 472 O TRP A 31 0.391 8.558 4.455 1.00 64.54 O ATOM 473 CB TRP A 31 -0.065 8.222 1.196 1.00 11.34 C ATOM 474 CG TRP A 31 -0.605 7.286 0.141 1.00 63.55 C ATOM 475 CD1 TRP A 31 -1.298 7.610 -0.999 1.00 33.44 C ATOM 476 CD2 TRP A 31 -0.499 5.858 0.152 1.00 21.30 C ATOM 477 NE1 TRP A 31 -1.624 6.465 -1.686 1.00 43.43 N ATOM 478 CE2 TRP A 31 -1.141 5.380 -0.998 1.00 63.50 C ATOM 479 CE3 TRP A 31 0.084 4.939 1.034 1.00 74.23 C ATOM 480 CZ2 TRP A 31 -1.216 4.023 -1.294 1.00 42.12 C ATOM 481 CZ3 TRP A 31 0.007 3.593 0.743 1.00 4.42 C ATOM 482 CH2 TRP A 31 -0.637 3.144 -0.412 1.00 21.03 C ATOM 0 H TRP A 31 -2.147 9.808 1.540 1.00 43.11 H new ATOM 0 HA TRP A 31 -1.174 7.325 2.843 1.00 4.34 H new ATOM 0 HB2 TRP A 31 0.051 9.215 0.763 1.00 11.34 H new ATOM 0 HB3 TRP A 31 0.928 7.886 1.494 1.00 11.34 H new ATOM 0 HD1 TRP A 31 -1.549 8.614 -1.309 1.00 33.44 H new ATOM 0 HE1 TRP A 31 -2.141 6.428 -2.565 1.00 43.43 H new ATOM 0 HE3 TRP A 31 0.586 5.279 1.928 1.00 74.23 H new ATOM 0 HZ2 TRP A 31 -1.713 3.673 -2.187 1.00 42.12 H new ATOM 0 HZ3 TRP A 31 0.451 2.876 1.418 1.00 4.42 H new ATOM 0 HH2 TRP A 31 -0.681 2.084 -0.616 1.00 21.03 H new ATOM 493 N GLU A 32 -0.297 10.462 3.415 1.00 21.54 N ATOM 494 CA GLU A 32 0.427 11.419 4.271 1.00 63.11 C ATOM 495 C GLU A 32 -0.156 11.474 5.703 1.00 1.40 C ATOM 496 O GLU A 32 0.577 11.381 6.695 1.00 44.03 O ATOM 497 CB GLU A 32 0.369 12.820 3.615 1.00 41.20 C ATOM 498 CG GLU A 32 1.071 13.932 4.410 1.00 3.20 C ATOM 499 CD GLU A 32 0.919 15.308 3.757 1.00 34.21 C ATOM 500 OE1 GLU A 32 -0.128 15.963 3.972 1.00 20.35 O ATOM 501 OE2 GLU A 32 1.826 15.735 3.018 1.00 44.12 O ATOM 0 H GLU A 32 -0.867 10.914 2.700 1.00 21.54 H new ATOM 0 HA GLU A 32 1.461 11.086 4.361 1.00 63.11 H new ATOM 0 HB2 GLU A 32 0.819 12.761 2.624 1.00 41.20 H new ATOM 0 HB3 GLU A 32 -0.676 13.097 3.474 1.00 41.20 H new ATOM 0 HG2 GLU A 32 0.661 13.966 5.420 1.00 3.20 H new ATOM 0 HG3 GLU A 32 2.130 13.693 4.504 1.00 3.20 H new ATOM 508 N ASP A 33 -1.485 11.646 5.780 1.00 61.23 N ATOM 509 CA ASP A 33 -2.216 11.730 7.052 1.00 62.31 C ATOM 510 C ASP A 33 -2.450 10.297 7.615 1.00 55.51 C ATOM 511 O ASP A 33 -3.072 9.469 6.935 1.00 22.44 O ATOM 512 CB ASP A 33 -3.561 12.465 6.815 1.00 63.43 C ATOM 513 CG ASP A 33 -4.319 12.811 8.105 1.00 34.35 C ATOM 514 OD1 ASP A 33 -4.919 11.909 8.722 1.00 62.45 O ATOM 515 OD2 ASP A 33 -4.328 13.987 8.510 1.00 40.25 O ATOM 0 H ASP A 33 -2.084 11.731 4.959 1.00 61.23 H new ATOM 0 HA ASP A 33 -1.636 12.291 7.785 1.00 62.31 H new ATOM 0 HB2 ASP A 33 -3.369 13.384 6.261 1.00 63.43 H new ATOM 0 HB3 ASP A 33 -4.198 11.842 6.187 1.00 63.43 H new ATOM 520 N PRO A 34 -1.959 9.990 8.868 1.00 30.45 N ATOM 521 CA PRO A 34 -2.086 8.634 9.483 1.00 2.23 C ATOM 522 C PRO A 34 -3.554 8.157 9.630 1.00 21.30 C ATOM 523 O PRO A 34 -3.840 6.964 9.494 1.00 41.02 O ATOM 524 CB PRO A 34 -1.420 8.799 10.878 1.00 70.12 C ATOM 525 CG PRO A 34 -0.520 9.990 10.730 1.00 15.25 C ATOM 526 CD PRO A 34 -1.227 10.921 9.773 1.00 53.22 C ATOM 0 HA PRO A 34 -1.619 7.873 8.857 1.00 2.23 H new ATOM 0 HB2 PRO A 34 -2.166 8.960 11.657 1.00 70.12 H new ATOM 0 HB3 PRO A 34 -0.856 7.908 11.156 1.00 70.12 H new ATOM 0 HG2 PRO A 34 -0.349 10.473 11.692 1.00 15.25 H new ATOM 0 HG3 PRO A 34 0.456 9.697 10.342 1.00 15.25 H new ATOM 0 HD2 PRO A 34 -1.908 11.593 10.295 1.00 53.22 H new ATOM 0 HD3 PRO A 34 -0.522 11.545 9.224 1.00 53.22 H new ATOM 534 N ARG A 35 -4.470 9.113 9.897 1.00 24.41 N ATOM 535 CA ARG A 35 -5.911 8.827 10.103 1.00 33.43 C ATOM 536 C ARG A 35 -6.601 8.530 8.750 1.00 33.54 C ATOM 537 O ARG A 35 -7.412 7.608 8.645 1.00 14.03 O ATOM 538 CB ARG A 35 -6.644 10.000 10.834 1.00 32.32 C ATOM 539 CG ARG A 35 -6.253 10.236 12.319 1.00 54.44 C ATOM 540 CD ARG A 35 -4.791 10.693 12.521 1.00 21.43 C ATOM 541 NE ARG A 35 -4.463 11.898 11.726 1.00 3.44 N ATOM 542 CZ ARG A 35 -3.604 12.834 12.062 1.00 63.33 C ATOM 543 NH1 ARG A 35 -2.983 12.810 13.191 1.00 3.11 N ATOM 544 NH2 ARG A 35 -3.366 13.791 11.241 1.00 71.41 N ATOM 0 H ARG A 35 -4.235 10.102 9.976 1.00 24.41 H new ATOM 0 HA ARG A 35 -5.978 7.947 10.743 1.00 33.43 H new ATOM 0 HB2 ARG A 35 -6.455 10.920 10.280 1.00 32.32 H new ATOM 0 HB3 ARG A 35 -7.717 9.815 10.788 1.00 32.32 H new ATOM 0 HG2 ARG A 35 -6.919 10.987 12.744 1.00 54.44 H new ATOM 0 HG3 ARG A 35 -6.415 9.314 12.877 1.00 54.44 H new ATOM 0 HD2 ARG A 35 -4.620 10.900 13.577 1.00 21.43 H new ATOM 0 HD3 ARG A 35 -4.118 9.882 12.242 1.00 21.43 H new ATOM 0 HE ARG A 35 -4.948 12.012 10.836 1.00 3.44 H new ATOM 0 HH11 ARG A 35 -3.153 12.051 13.851 1.00 3.11 H new ATOM 0 HH12 ARG A 35 -2.321 13.550 13.425 1.00 3.11 H new ATOM 0 HH21 ARG A 35 -3.842 13.819 10.339 1.00 71.41 H new ATOM 0 HH22 ARG A 35 -2.701 14.523 11.490 1.00 71.41 H new ATOM 558 N GLN A 36 -6.253 9.312 7.711 1.00 2.01 N ATOM 559 CA GLN A 36 -6.782 9.110 6.340 1.00 22.45 C ATOM 560 C GLN A 36 -6.199 7.842 5.674 1.00 72.33 C ATOM 561 O GLN A 36 -6.806 7.315 4.749 1.00 23.35 O ATOM 562 CB GLN A 36 -6.517 10.366 5.465 1.00 73.53 C ATOM 563 CG GLN A 36 -7.375 11.595 5.848 1.00 51.51 C ATOM 564 CD GLN A 36 -7.046 12.859 5.041 1.00 61.40 C ATOM 565 OE1 GLN A 36 -5.914 13.092 4.653 1.00 61.21 O ATOM 566 NE2 GLN A 36 -8.040 13.685 4.782 1.00 54.41 N ATOM 0 H GLN A 36 -5.604 10.095 7.791 1.00 2.01 H new ATOM 0 HA GLN A 36 -7.859 8.962 6.423 1.00 22.45 H new ATOM 0 HB2 GLN A 36 -5.463 10.634 5.542 1.00 73.53 H new ATOM 0 HB3 GLN A 36 -6.706 10.115 4.421 1.00 73.53 H new ATOM 0 HG2 GLN A 36 -8.428 11.349 5.707 1.00 51.51 H new ATOM 0 HG3 GLN A 36 -7.236 11.806 6.908 1.00 51.51 H new ATOM 0 HE21 GLN A 36 -8.980 13.472 5.116 1.00 54.41 H new ATOM 0 HE22 GLN A 36 -7.869 14.537 4.248 1.00 54.41 H new ATOM 575 N LEU A 37 -5.021 7.379 6.138 1.00 4.30 N ATOM 576 CA LEU A 37 -4.422 6.099 5.677 1.00 64.22 C ATOM 577 C LEU A 37 -5.115 4.884 6.326 1.00 14.42 C ATOM 578 O LEU A 37 -5.568 3.979 5.621 1.00 64.52 O ATOM 579 CB LEU A 37 -2.900 6.083 5.966 1.00 61.03 C ATOM 580 CG LEU A 37 -2.128 4.764 5.612 1.00 24.14 C ATOM 581 CD1 LEU A 37 -2.256 4.369 4.121 1.00 70.25 C ATOM 582 CD2 LEU A 37 -0.653 4.882 6.017 1.00 72.44 C ATOM 0 H LEU A 37 -4.460 7.870 6.834 1.00 4.30 H new ATOM 0 HA LEU A 37 -4.575 6.025 4.600 1.00 64.22 H new ATOM 0 HB2 LEU A 37 -2.441 6.904 5.415 1.00 61.03 H new ATOM 0 HB3 LEU A 37 -2.753 6.289 7.026 1.00 61.03 H new ATOM 0 HG LEU A 37 -2.595 3.963 6.185 1.00 24.14 H new ATOM 0 HD11 LEU A 37 -1.701 3.449 3.939 1.00 70.25 H new ATOM 0 HD12 LEU A 37 -3.306 4.213 3.875 1.00 70.25 H new ATOM 0 HD13 LEU A 37 -1.851 5.166 3.497 1.00 70.25 H new ATOM 0 HD21 LEU A 37 -0.131 3.959 5.765 1.00 72.44 H new ATOM 0 HD22 LEU A 37 -0.195 5.715 5.484 1.00 72.44 H new ATOM 0 HD23 LEU A 37 -0.583 5.056 7.091 1.00 72.44 H new ATOM 594 N GLU A 38 -5.236 4.894 7.673 1.00 74.22 N ATOM 595 CA GLU A 38 -5.873 3.780 8.436 1.00 12.50 C ATOM 596 C GLU A 38 -7.391 3.674 8.126 1.00 74.22 C ATOM 597 O GLU A 38 -8.039 2.664 8.426 1.00 42.13 O ATOM 598 CB GLU A 38 -5.607 3.964 9.964 1.00 51.42 C ATOM 599 CG GLU A 38 -6.302 5.171 10.658 1.00 51.10 C ATOM 600 CD GLU A 38 -7.691 4.864 11.264 1.00 74.32 C ATOM 601 OE1 GLU A 38 -7.740 4.226 12.334 1.00 22.43 O ATOM 602 OE2 GLU A 38 -8.727 5.273 10.693 1.00 32.55 O ATOM 0 H GLU A 38 -4.903 5.659 8.260 1.00 74.22 H new ATOM 0 HA GLU A 38 -5.423 2.839 8.120 1.00 12.50 H new ATOM 0 HB2 GLU A 38 -5.919 3.053 10.475 1.00 51.42 H new ATOM 0 HB3 GLU A 38 -4.531 4.060 10.112 1.00 51.42 H new ATOM 0 HG2 GLU A 38 -5.650 5.540 11.450 1.00 51.10 H new ATOM 0 HG3 GLU A 38 -6.409 5.976 9.931 1.00 51.10 H new ATOM 609 N ARG A 39 -7.928 4.756 7.531 1.00 44.32 N ATOM 610 CA ARG A 39 -9.314 4.861 7.050 1.00 60.44 C ATOM 611 C ARG A 39 -9.677 3.753 6.027 1.00 32.15 C ATOM 612 O ARG A 39 -10.801 3.235 6.033 1.00 12.42 O ATOM 613 CB ARG A 39 -9.494 6.273 6.424 1.00 31.24 C ATOM 614 CG ARG A 39 -10.906 6.628 5.905 1.00 70.25 C ATOM 615 CD ARG A 39 -11.948 6.817 7.022 1.00 45.14 C ATOM 616 NE ARG A 39 -12.308 5.555 7.700 1.00 3.42 N ATOM 617 CZ ARG A 39 -13.389 4.843 7.474 1.00 23.33 C ATOM 618 NH1 ARG A 39 -14.307 5.241 6.655 1.00 72.33 N ATOM 619 NH2 ARG A 39 -13.542 3.722 8.094 1.00 34.33 N ATOM 0 H ARG A 39 -7.390 5.607 7.368 1.00 44.32 H new ATOM 0 HA ARG A 39 -9.992 4.721 7.892 1.00 60.44 H new ATOM 0 HB2 ARG A 39 -9.210 7.015 7.170 1.00 31.24 H new ATOM 0 HB3 ARG A 39 -8.793 6.370 5.595 1.00 31.24 H new ATOM 0 HG2 ARG A 39 -10.847 7.544 5.317 1.00 70.25 H new ATOM 0 HG3 ARG A 39 -11.245 5.839 5.234 1.00 70.25 H new ATOM 0 HD2 ARG A 39 -11.558 7.520 7.759 1.00 45.14 H new ATOM 0 HD3 ARG A 39 -12.848 7.265 6.599 1.00 45.14 H new ATOM 0 HE ARG A 39 -11.660 5.205 8.406 1.00 3.42 H new ATOM 0 HH11 ARG A 39 -14.203 6.129 6.164 1.00 72.33 H new ATOM 0 HH12 ARG A 39 -15.136 4.667 6.500 1.00 72.33 H new ATOM 0 HH21 ARG A 39 -12.829 3.400 8.749 1.00 34.33 H new ATOM 0 HH22 ARG A 39 -14.376 3.158 7.929 1.00 34.33 H new ATOM 633 N TRP A 40 -8.711 3.385 5.169 1.00 0.32 N ATOM 634 CA TRP A 40 -8.929 2.403 4.076 1.00 3.11 C ATOM 635 C TRP A 40 -7.904 1.250 4.086 1.00 3.21 C ATOM 636 O TRP A 40 -8.079 0.282 3.345 1.00 54.33 O ATOM 637 CB TRP A 40 -8.891 3.131 2.708 1.00 74.13 C ATOM 638 CG TRP A 40 -7.591 3.857 2.427 1.00 75.55 C ATOM 639 CD1 TRP A 40 -7.250 5.116 2.822 1.00 41.02 C ATOM 640 CD2 TRP A 40 -6.471 3.364 1.684 1.00 73.10 C ATOM 641 NE1 TRP A 40 -5.986 5.423 2.389 1.00 34.34 N ATOM 642 CE2 TRP A 40 -5.495 4.371 1.675 1.00 13.13 C ATOM 643 CE3 TRP A 40 -6.208 2.166 1.025 1.00 23.23 C ATOM 644 CZ2 TRP A 40 -4.276 4.213 1.030 1.00 0.30 C ATOM 645 CZ3 TRP A 40 -5.006 2.008 0.385 1.00 63.22 C ATOM 646 CH2 TRP A 40 -4.056 3.026 0.390 1.00 74.21 C ATOM 0 H TRP A 40 -7.760 3.753 5.207 1.00 0.32 H new ATOM 0 HA TRP A 40 -9.908 1.954 4.240 1.00 3.11 H new ATOM 0 HB2 TRP A 40 -9.066 2.402 1.916 1.00 74.13 H new ATOM 0 HB3 TRP A 40 -9.711 3.848 2.668 1.00 74.13 H new ATOM 0 HD1 TRP A 40 -7.884 5.777 3.394 1.00 41.02 H new ATOM 0 HE1 TRP A 40 -5.493 6.297 2.572 1.00 34.34 H new ATOM 0 HE3 TRP A 40 -6.941 1.372 1.018 1.00 23.23 H new ATOM 0 HZ2 TRP A 40 -3.532 4.996 1.034 1.00 0.30 H new ATOM 0 HZ3 TRP A 40 -4.793 1.083 -0.129 1.00 63.22 H new ATOM 0 HH2 TRP A 40 -3.120 2.873 -0.126 1.00 74.21 H new ATOM 657 N TRP A 41 -6.836 1.371 4.899 1.00 62.23 N ATOM 658 CA TRP A 41 -5.702 0.411 4.876 1.00 41.21 C ATOM 659 C TRP A 41 -6.149 -1.000 5.345 1.00 11.32 C ATOM 660 O TRP A 41 -6.377 -1.233 6.537 1.00 12.15 O ATOM 661 CB TRP A 41 -4.517 0.948 5.728 1.00 32.42 C ATOM 662 CG TRP A 41 -3.194 0.261 5.445 1.00 53.32 C ATOM 663 CD1 TRP A 41 -2.420 -0.467 6.314 1.00 21.24 C ATOM 664 CD2 TRP A 41 -2.501 0.230 4.183 1.00 21.12 C ATOM 665 NE1 TRP A 41 -1.297 -0.918 5.678 1.00 50.04 N ATOM 666 CE2 TRP A 41 -1.327 -0.512 4.375 1.00 14.21 C ATOM 667 CE3 TRP A 41 -2.758 0.759 2.916 1.00 54.33 C ATOM 668 CZ2 TRP A 41 -0.416 -0.734 3.354 1.00 24.33 C ATOM 669 CZ3 TRP A 41 -1.855 0.534 1.902 1.00 10.54 C ATOM 670 CH2 TRP A 41 -0.695 -0.206 2.123 1.00 10.22 C ATOM 0 H TRP A 41 -6.730 2.122 5.581 1.00 62.23 H new ATOM 0 HA TRP A 41 -5.358 0.313 3.846 1.00 41.21 H new ATOM 0 HB2 TRP A 41 -4.406 2.017 5.545 1.00 32.42 H new ATOM 0 HB3 TRP A 41 -4.758 0.828 6.784 1.00 32.42 H new ATOM 0 HD1 TRP A 41 -2.663 -0.656 7.349 1.00 21.24 H new ATOM 0 HE1 TRP A 41 -0.555 -1.470 6.108 1.00 50.04 H new ATOM 0 HE3 TRP A 41 -3.653 1.336 2.735 1.00 54.33 H new ATOM 0 HZ2 TRP A 41 0.485 -1.305 3.525 1.00 24.33 H new ATOM 0 HZ3 TRP A 41 -2.049 0.937 0.919 1.00 10.54 H new ATOM 0 HH2 TRP A 41 -0.004 -0.366 1.308 1.00 10.22 H new ATOM 681 N GLY A 42 -6.298 -1.919 4.369 1.00 1.22 N ATOM 682 CA GLY A 42 -6.824 -3.274 4.608 1.00 75.44 C ATOM 683 C GLY A 42 -8.259 -3.459 4.089 1.00 64.41 C ATOM 684 O GLY A 42 -8.927 -2.473 3.748 1.00 71.41 O ATOM 0 H GLY A 42 -6.056 -1.740 3.394 1.00 1.22 H new ATOM 0 HA2 GLY A 42 -6.172 -4.002 4.125 1.00 75.44 H new ATOM 0 HA3 GLY A 42 -6.800 -3.484 5.677 1.00 75.44 H new ATOM 688 N PRO A 43 -8.773 -4.727 4.004 1.00 42.43 N ATOM 689 CA PRO A 43 -10.165 -4.999 3.552 1.00 4.41 C ATOM 690 C PRO A 43 -11.233 -4.590 4.619 1.00 74.41 C ATOM 691 O PRO A 43 -10.877 -4.355 5.782 1.00 44.23 O ATOM 692 CB PRO A 43 -10.142 -6.536 3.296 1.00 15.42 C ATOM 693 CG PRO A 43 -9.118 -7.059 4.262 1.00 31.13 C ATOM 694 CD PRO A 43 -8.043 -5.983 4.341 1.00 32.23 C ATOM 0 HA PRO A 43 -10.450 -4.420 2.674 1.00 4.41 H new ATOM 0 HB2 PRO A 43 -11.120 -6.983 3.473 1.00 15.42 H new ATOM 0 HB3 PRO A 43 -9.869 -6.763 2.266 1.00 15.42 H new ATOM 0 HG2 PRO A 43 -9.561 -7.244 5.241 1.00 31.13 H new ATOM 0 HG3 PRO A 43 -8.701 -8.005 3.917 1.00 31.13 H new ATOM 0 HD2 PRO A 43 -7.599 -5.933 5.335 1.00 32.23 H new ATOM 0 HD3 PRO A 43 -7.232 -6.175 3.639 1.00 32.23 H new ATOM 702 N PRO A 44 -12.561 -4.487 4.232 1.00 13.13 N ATOM 703 CA PRO A 44 -13.676 -4.127 5.179 1.00 12.52 C ATOM 704 C PRO A 44 -13.719 -4.958 6.504 1.00 51.43 C ATOM 705 O PRO A 44 -14.239 -4.489 7.520 1.00 42.14 O ATOM 706 CB PRO A 44 -14.948 -4.383 4.325 1.00 23.41 C ATOM 707 CG PRO A 44 -14.502 -4.127 2.916 1.00 53.24 C ATOM 708 CD PRO A 44 -13.081 -4.655 2.837 1.00 71.44 C ATOM 0 HA PRO A 44 -13.560 -3.106 5.541 1.00 12.52 H new ATOM 0 HB2 PRO A 44 -15.312 -5.403 4.449 1.00 23.41 H new ATOM 0 HB3 PRO A 44 -15.762 -3.717 4.613 1.00 23.41 H new ATOM 0 HG2 PRO A 44 -15.149 -4.635 2.201 1.00 53.24 H new ATOM 0 HG3 PRO A 44 -14.539 -3.064 2.680 1.00 53.24 H new ATOM 0 HD2 PRO A 44 -13.059 -5.699 2.524 1.00 71.44 H new ATOM 0 HD3 PRO A 44 -12.485 -4.094 2.117 1.00 71.44 H new ATOM 716 N THR A 45 -13.175 -6.193 6.465 1.00 73.31 N ATOM 717 CA THR A 45 -13.135 -7.111 7.639 1.00 72.25 C ATOM 718 C THR A 45 -11.848 -6.943 8.493 1.00 53.03 C ATOM 719 O THR A 45 -11.848 -7.274 9.683 1.00 13.33 O ATOM 720 CB THR A 45 -13.268 -8.608 7.188 1.00 30.31 C ATOM 721 OG1 THR A 45 -12.253 -8.920 6.212 1.00 53.43 O ATOM 722 CG2 THR A 45 -14.656 -8.905 6.587 1.00 13.05 C ATOM 0 H THR A 45 -12.751 -6.587 5.625 1.00 73.31 H new ATOM 0 HA THR A 45 -13.986 -6.838 8.263 1.00 72.25 H new ATOM 0 HB THR A 45 -13.141 -9.228 8.075 1.00 30.31 H new ATOM 0 HG1 THR A 45 -11.954 -9.845 6.335 1.00 53.43 H new ATOM 0 HG21 THR A 45 -14.706 -9.952 6.288 1.00 13.05 H new ATOM 0 HG22 THR A 45 -15.426 -8.703 7.332 1.00 13.05 H new ATOM 0 HG23 THR A 45 -14.819 -8.270 5.716 1.00 13.05 H new ATOM 730 N TRP A 46 -10.751 -6.436 7.883 1.00 4.13 N ATOM 731 CA TRP A 46 -9.449 -6.198 8.586 1.00 4.23 C ATOM 732 C TRP A 46 -8.976 -4.714 8.425 1.00 50.14 C ATOM 733 O TRP A 46 -8.067 -4.434 7.628 1.00 70.43 O ATOM 734 CB TRP A 46 -8.346 -7.173 8.056 1.00 31.32 C ATOM 735 CG TRP A 46 -8.586 -8.639 8.352 1.00 44.41 C ATOM 736 CD1 TRP A 46 -9.515 -9.461 7.780 1.00 71.22 C ATOM 737 CD2 TRP A 46 -7.857 -9.460 9.274 1.00 30.14 C ATOM 738 NE1 TRP A 46 -9.445 -10.712 8.333 1.00 32.40 N ATOM 739 CE2 TRP A 46 -8.432 -10.742 9.240 1.00 20.15 C ATOM 740 CE3 TRP A 46 -6.788 -9.229 10.135 1.00 51.41 C ATOM 741 CZ2 TRP A 46 -7.974 -11.788 10.032 1.00 23.15 C ATOM 742 CZ3 TRP A 46 -6.329 -10.268 10.919 1.00 13.14 C ATOM 743 CH2 TRP A 46 -6.923 -11.536 10.866 1.00 21.24 C ATOM 0 H TRP A 46 -10.734 -6.179 6.896 1.00 4.13 H new ATOM 0 HA TRP A 46 -9.610 -6.391 9.647 1.00 4.23 H new ATOM 0 HB2 TRP A 46 -8.259 -7.046 6.977 1.00 31.32 H new ATOM 0 HB3 TRP A 46 -7.389 -6.883 8.489 1.00 31.32 H new ATOM 0 HD1 TRP A 46 -10.205 -9.167 7.003 1.00 71.22 H new ATOM 0 HE1 TRP A 46 -10.055 -11.496 8.102 1.00 32.40 H new ATOM 0 HE3 TRP A 46 -6.326 -8.254 10.189 1.00 51.41 H new ATOM 0 HZ2 TRP A 46 -8.433 -12.765 9.989 1.00 23.15 H new ATOM 0 HZ3 TRP A 46 -5.496 -10.101 11.586 1.00 13.14 H new ATOM 0 HH2 TRP A 46 -6.543 -12.327 11.495 1.00 21.24 H new ATOM 754 N PRO A 47 -9.613 -3.727 9.145 1.00 64.54 N ATOM 755 CA PRO A 47 -9.132 -2.319 9.167 1.00 31.50 C ATOM 756 C PRO A 47 -7.865 -2.145 10.052 1.00 43.32 C ATOM 757 O PRO A 47 -7.829 -2.595 11.209 1.00 52.21 O ATOM 758 CB PRO A 47 -10.348 -1.546 9.745 1.00 31.34 C ATOM 759 CG PRO A 47 -11.035 -2.545 10.634 1.00 2.51 C ATOM 760 CD PRO A 47 -10.858 -3.890 9.952 1.00 51.54 C ATOM 0 HA PRO A 47 -8.823 -1.962 8.185 1.00 31.50 H new ATOM 0 HB2 PRO A 47 -10.030 -0.667 10.306 1.00 31.34 H new ATOM 0 HB3 PRO A 47 -11.010 -1.197 8.953 1.00 31.34 H new ATOM 0 HG2 PRO A 47 -10.594 -2.550 11.631 1.00 2.51 H new ATOM 0 HG3 PRO A 47 -12.091 -2.302 10.753 1.00 2.51 H new ATOM 0 HD2 PRO A 47 -10.759 -4.696 10.679 1.00 51.54 H new ATOM 0 HD3 PRO A 47 -11.713 -4.133 9.321 1.00 51.54 H new ATOM 768 N ALA A 48 -6.826 -1.490 9.506 1.00 51.23 N ATOM 769 CA ALA A 48 -5.561 -1.263 10.228 1.00 63.44 C ATOM 770 C ALA A 48 -5.650 -0.036 11.161 1.00 21.21 C ATOM 771 O ALA A 48 -6.271 0.967 10.827 1.00 4.34 O ATOM 772 CB ALA A 48 -4.401 -1.104 9.235 1.00 23.42 C ATOM 0 H ALA A 48 -6.838 -1.106 8.561 1.00 51.23 H new ATOM 0 HA ALA A 48 -5.373 -2.136 10.853 1.00 63.44 H new ATOM 0 HB1 ALA A 48 -3.474 -0.937 9.783 1.00 23.42 H new ATOM 0 HB2 ALA A 48 -4.310 -2.009 8.634 1.00 23.42 H new ATOM 0 HB3 ALA A 48 -4.595 -0.253 8.582 1.00 23.42 H new ATOM 778 N THR A 49 -5.043 -0.159 12.350 1.00 73.23 N ATOM 779 CA THR A 49 -4.875 0.946 13.317 1.00 52.44 C ATOM 780 C THR A 49 -3.371 1.237 13.491 1.00 22.53 C ATOM 781 O THR A 49 -2.614 0.358 13.923 1.00 70.51 O ATOM 782 CB THR A 49 -5.525 0.595 14.702 1.00 44.12 C ATOM 783 OG1 THR A 49 -6.940 0.388 14.551 1.00 11.23 O ATOM 784 CG2 THR A 49 -5.286 1.684 15.768 1.00 73.22 C ATOM 0 H THR A 49 -4.647 -1.041 12.676 1.00 73.23 H new ATOM 0 HA THR A 49 -5.381 1.831 12.931 1.00 52.44 H new ATOM 0 HB THR A 49 -5.042 -0.319 15.047 1.00 44.12 H new ATOM 0 HG1 THR A 49 -7.333 0.168 15.421 1.00 11.23 H new ATOM 0 HG21 THR A 49 -5.758 1.386 16.704 1.00 73.22 H new ATOM 0 HG22 THR A 49 -4.215 1.810 15.926 1.00 73.22 H new ATOM 0 HG23 THR A 49 -5.716 2.626 15.428 1.00 73.22 H new ATOM 792 N PHE A 50 -2.946 2.465 13.142 1.00 23.44 N ATOM 793 CA PHE A 50 -1.523 2.867 13.178 1.00 24.43 C ATOM 794 C PHE A 50 -1.092 3.346 14.583 1.00 33.04 C ATOM 795 O PHE A 50 -1.634 4.316 15.125 1.00 64.00 O ATOM 796 CB PHE A 50 -1.219 3.941 12.085 1.00 52.35 C ATOM 797 CG PHE A 50 -1.020 3.341 10.690 1.00 34.41 C ATOM 798 CD1 PHE A 50 -2.101 2.824 9.972 1.00 33.14 C ATOM 799 CD2 PHE A 50 0.251 3.265 10.113 1.00 10.03 C ATOM 800 CE1 PHE A 50 -1.918 2.253 8.729 1.00 74.53 C ATOM 801 CE2 PHE A 50 0.432 2.696 8.868 1.00 2.04 C ATOM 802 CZ PHE A 50 -0.653 2.187 8.176 1.00 10.31 C ATOM 0 H PHE A 50 -3.574 3.205 12.828 1.00 23.44 H new ATOM 0 HA PHE A 50 -0.927 1.982 12.952 1.00 24.43 H new ATOM 0 HB2 PHE A 50 -2.039 4.658 12.052 1.00 52.35 H new ATOM 0 HB3 PHE A 50 -0.323 4.494 12.367 1.00 52.35 H new ATOM 0 HD1 PHE A 50 -3.093 2.872 10.395 1.00 33.14 H new ATOM 0 HD2 PHE A 50 1.103 3.657 10.648 1.00 10.03 H new ATOM 0 HE1 PHE A 50 -2.764 1.857 8.188 1.00 74.53 H new ATOM 0 HE2 PHE A 50 1.420 2.648 8.434 1.00 2.04 H new ATOM 0 HZ PHE A 50 -0.511 1.738 7.204 1.00 10.31 H new ATOM 812 N GLU A 51 -0.129 2.612 15.163 1.00 31.44 N ATOM 813 CA GLU A 51 0.569 2.981 16.410 1.00 22.13 C ATOM 814 C GLU A 51 1.509 4.168 16.164 1.00 15.25 C ATOM 815 O GLU A 51 1.609 5.087 16.987 1.00 74.13 O ATOM 816 CB GLU A 51 1.383 1.757 16.915 1.00 20.14 C ATOM 817 CG GLU A 51 0.542 0.478 17.107 1.00 4.53 C ATOM 818 CD GLU A 51 1.391 -0.779 17.367 1.00 61.21 C ATOM 819 OE1 GLU A 51 2.121 -1.204 16.446 1.00 53.01 O ATOM 820 OE2 GLU A 51 1.340 -1.345 18.480 1.00 12.34 O ATOM 0 H GLU A 51 0.194 1.727 14.772 1.00 31.44 H new ATOM 0 HA GLU A 51 -0.164 3.272 17.162 1.00 22.13 H new ATOM 0 HB2 GLU A 51 2.184 1.549 16.206 1.00 20.14 H new ATOM 0 HB3 GLU A 51 1.855 2.014 17.863 1.00 20.14 H new ATOM 0 HG2 GLU A 51 -0.142 0.624 17.943 1.00 4.53 H new ATOM 0 HG3 GLU A 51 -0.069 0.317 16.219 1.00 4.53 H new ATOM 827 N THR A 52 2.204 4.128 15.019 1.00 71.31 N ATOM 828 CA THR A 52 3.156 5.177 14.621 1.00 14.23 C ATOM 829 C THR A 52 3.098 5.387 13.094 1.00 54.14 C ATOM 830 O THR A 52 2.792 4.449 12.356 1.00 11.42 O ATOM 831 CB THR A 52 4.612 4.788 15.057 1.00 50.41 C ATOM 832 OG1 THR A 52 4.622 4.413 16.445 1.00 21.35 O ATOM 833 CG2 THR A 52 5.608 5.940 14.864 1.00 53.04 C ATOM 0 H THR A 52 2.123 3.369 14.342 1.00 71.31 H new ATOM 0 HA THR A 52 2.881 6.107 15.119 1.00 14.23 H new ATOM 0 HB THR A 52 4.919 3.956 14.423 1.00 50.41 H new ATOM 0 HG1 THR A 52 5.533 4.170 16.712 1.00 21.35 H new ATOM 0 HG21 THR A 52 6.601 5.620 15.180 1.00 53.04 H new ATOM 0 HG22 THR A 52 5.636 6.224 13.812 1.00 53.04 H new ATOM 0 HG23 THR A 52 5.295 6.796 15.462 1.00 53.04 H new ATOM 841 N HIS A 53 3.360 6.620 12.637 1.00 31.13 N ATOM 842 CA HIS A 53 3.455 6.951 11.198 1.00 5.22 C ATOM 843 C HIS A 53 4.254 8.267 11.030 1.00 33.13 C ATOM 844 O HIS A 53 3.714 9.352 11.245 1.00 24.54 O ATOM 845 CB HIS A 53 2.025 7.062 10.592 1.00 63.35 C ATOM 846 CG HIS A 53 1.972 7.321 9.106 1.00 64.15 C ATOM 847 ND1 HIS A 53 1.992 8.599 8.607 1.00 34.45 N ATOM 848 CD2 HIS A 53 1.844 6.451 8.072 1.00 31.41 C ATOM 849 CE1 HIS A 53 1.874 8.479 7.305 1.00 72.51 C ATOM 850 NE2 HIS A 53 1.783 7.202 6.930 1.00 52.00 N ATOM 0 H HIS A 53 3.513 7.420 13.251 1.00 31.13 H new ATOM 0 HA HIS A 53 3.983 6.163 10.661 1.00 5.22 H new ATOM 0 HB2 HIS A 53 1.486 6.138 10.802 1.00 63.35 H new ATOM 0 HB3 HIS A 53 1.493 7.864 11.103 1.00 63.35 H new ATOM 0 HD2 HIS A 53 1.799 5.374 8.138 1.00 31.41 H new ATOM 0 HE1 HIS A 53 1.853 9.314 6.620 1.00 72.51 H new ATOM 0 HE2 HIS A 53 1.687 6.853 5.976 1.00 52.00 H new ATOM 858 N GLU A 54 5.553 8.161 10.691 1.00 22.01 N ATOM 859 CA GLU A 54 6.453 9.340 10.584 1.00 30.52 C ATOM 860 C GLU A 54 6.284 10.094 9.241 1.00 42.51 C ATOM 861 O GLU A 54 6.246 11.330 9.216 1.00 34.34 O ATOM 862 CB GLU A 54 7.930 8.908 10.760 1.00 12.33 C ATOM 863 CG GLU A 54 8.263 8.334 12.153 1.00 30.51 C ATOM 864 CD GLU A 54 9.775 8.176 12.393 1.00 1.01 C ATOM 865 OE1 GLU A 54 10.433 9.187 12.718 1.00 11.55 O ATOM 866 OE2 GLU A 54 10.316 7.058 12.239 1.00 5.33 O ATOM 0 H GLU A 54 6.009 7.272 10.485 1.00 22.01 H new ATOM 0 HA GLU A 54 6.172 10.026 11.383 1.00 30.52 H new ATOM 0 HB2 GLU A 54 8.170 8.159 10.005 1.00 12.33 H new ATOM 0 HB3 GLU A 54 8.573 9.768 10.571 1.00 12.33 H new ATOM 0 HG2 GLU A 54 7.846 8.988 12.919 1.00 30.51 H new ATOM 0 HG3 GLU A 54 7.780 7.363 12.265 1.00 30.51 H new ATOM 873 N PHE A 55 6.213 9.318 8.144 1.00 10.52 N ATOM 874 CA PHE A 55 6.109 9.830 6.757 1.00 13.33 C ATOM 875 C PHE A 55 7.296 10.773 6.397 1.00 0.03 C ATOM 876 O PHE A 55 7.109 11.920 5.981 1.00 42.01 O ATOM 877 CB PHE A 55 4.720 10.496 6.503 1.00 5.32 C ATOM 878 CG PHE A 55 4.302 10.500 5.026 1.00 12.13 C ATOM 879 CD1 PHE A 55 3.813 9.334 4.432 1.00 34.33 C ATOM 880 CD2 PHE A 55 4.408 11.642 4.233 1.00 71.31 C ATOM 881 CE1 PHE A 55 3.444 9.308 3.103 1.00 41.24 C ATOM 882 CE2 PHE A 55 4.035 11.613 2.903 1.00 44.25 C ATOM 883 CZ PHE A 55 3.553 10.445 2.341 1.00 11.34 C ATOM 0 H PHE A 55 6.226 8.299 8.193 1.00 10.52 H new ATOM 0 HA PHE A 55 6.181 8.976 6.083 1.00 13.33 H new ATOM 0 HB2 PHE A 55 3.963 9.971 7.085 1.00 5.32 H new ATOM 0 HB3 PHE A 55 4.747 11.523 6.867 1.00 5.32 H new ATOM 0 HD1 PHE A 55 3.722 8.436 5.025 1.00 34.33 H new ATOM 0 HD2 PHE A 55 4.785 12.558 4.663 1.00 71.31 H new ATOM 0 HE1 PHE A 55 3.070 8.395 2.663 1.00 41.24 H new ATOM 0 HE2 PHE A 55 4.120 12.505 2.300 1.00 44.25 H new ATOM 0 HZ PHE A 55 3.262 10.427 1.301 1.00 11.34 H new ATOM 893 N THR A 56 8.524 10.256 6.571 1.00 33.15 N ATOM 894 CA THR A 56 9.780 10.989 6.254 1.00 31.45 C ATOM 895 C THR A 56 10.805 10.048 5.583 1.00 72.55 C ATOM 896 O THR A 56 10.663 8.823 5.641 1.00 11.22 O ATOM 897 CB THR A 56 10.400 11.659 7.536 1.00 22.44 C ATOM 898 OG1 THR A 56 11.623 12.344 7.206 1.00 21.40 O ATOM 899 CG2 THR A 56 10.677 10.642 8.660 1.00 55.33 C ATOM 0 H THR A 56 8.683 9.317 6.936 1.00 33.15 H new ATOM 0 HA THR A 56 9.528 11.786 5.554 1.00 31.45 H new ATOM 0 HB THR A 56 9.660 12.370 7.902 1.00 22.44 H new ATOM 0 HG1 THR A 56 11.995 12.757 8.013 1.00 21.40 H new ATOM 0 HG21 THR A 56 11.104 11.158 9.520 1.00 55.33 H new ATOM 0 HG22 THR A 56 9.744 10.160 8.952 1.00 55.33 H new ATOM 0 HG23 THR A 56 11.379 9.888 8.304 1.00 55.33 H new ATOM 907 N VAL A 57 11.839 10.635 4.959 1.00 55.11 N ATOM 908 CA VAL A 57 12.884 9.887 4.224 1.00 51.12 C ATOM 909 C VAL A 57 13.803 9.118 5.218 1.00 0.35 C ATOM 910 O VAL A 57 14.649 9.716 5.892 1.00 41.15 O ATOM 911 CB VAL A 57 13.715 10.875 3.305 1.00 12.14 C ATOM 912 CG1 VAL A 57 14.906 10.172 2.599 1.00 72.44 C ATOM 913 CG2 VAL A 57 12.787 11.567 2.266 1.00 54.34 C ATOM 0 H VAL A 57 11.978 11.645 4.947 1.00 55.11 H new ATOM 0 HA VAL A 57 12.408 9.149 3.578 1.00 51.12 H new ATOM 0 HB VAL A 57 14.141 11.636 3.959 1.00 12.14 H new ATOM 0 HG11 VAL A 57 15.441 10.894 1.982 1.00 72.44 H new ATOM 0 HG12 VAL A 57 15.583 9.763 3.349 1.00 72.44 H new ATOM 0 HG13 VAL A 57 14.531 9.365 1.970 1.00 72.44 H new ATOM 0 HG21 VAL A 57 13.376 12.241 1.644 1.00 54.34 H new ATOM 0 HG22 VAL A 57 12.318 10.811 1.637 1.00 54.34 H new ATOM 0 HG23 VAL A 57 12.016 12.134 2.788 1.00 54.34 H new ATOM 923 N GLY A 58 13.605 7.786 5.309 1.00 71.34 N ATOM 924 CA GLY A 58 14.320 6.938 6.285 1.00 2.11 C ATOM 925 C GLY A 58 13.483 6.588 7.527 1.00 5.15 C ATOM 926 O GLY A 58 13.924 5.802 8.379 1.00 24.55 O ATOM 0 H GLY A 58 12.953 7.273 4.715 1.00 71.34 H new ATOM 0 HA2 GLY A 58 14.629 6.015 5.794 1.00 2.11 H new ATOM 0 HA3 GLY A 58 15.228 7.450 6.602 1.00 2.11 H new ATOM 930 N GLY A 59 12.258 7.155 7.610 1.00 41.13 N ATOM 931 CA GLY A 59 11.358 6.953 8.761 1.00 24.04 C ATOM 932 C GLY A 59 10.522 5.677 8.668 1.00 54.24 C ATOM 933 O GLY A 59 10.512 5.016 7.632 1.00 45.31 O ATOM 0 H GLY A 59 11.871 7.760 6.886 1.00 41.13 H new ATOM 0 HA2 GLY A 59 11.952 6.923 9.675 1.00 24.04 H new ATOM 0 HA3 GLY A 59 10.690 7.810 8.844 1.00 24.04 H new ATOM 937 N LYS A 60 9.811 5.325 9.755 1.00 14.12 N ATOM 938 CA LYS A 60 8.994 4.083 9.830 1.00 1.43 C ATOM 939 C LYS A 60 7.522 4.363 10.210 1.00 63.43 C ATOM 940 O LYS A 60 7.138 5.495 10.537 1.00 71.21 O ATOM 941 CB LYS A 60 9.627 3.078 10.839 1.00 32.02 C ATOM 942 CG LYS A 60 10.983 2.484 10.380 1.00 42.21 C ATOM 943 CD LYS A 60 11.475 1.318 11.279 1.00 71.34 C ATOM 944 CE LYS A 60 12.721 0.602 10.706 1.00 2.54 C ATOM 945 NZ LYS A 60 13.928 1.476 10.685 1.00 5.13 N ATOM 0 H LYS A 60 9.781 5.886 10.607 1.00 14.12 H new ATOM 0 HA LYS A 60 8.991 3.644 8.832 1.00 1.43 H new ATOM 0 HB2 LYS A 60 9.769 3.582 11.795 1.00 32.02 H new ATOM 0 HB3 LYS A 60 8.925 2.262 11.010 1.00 32.02 H new ATOM 0 HG2 LYS A 60 10.888 2.128 9.354 1.00 42.21 H new ATOM 0 HG3 LYS A 60 11.735 3.273 10.375 1.00 42.21 H new ATOM 0 HD2 LYS A 60 11.708 1.704 12.271 1.00 71.34 H new ATOM 0 HD3 LYS A 60 10.669 0.594 11.400 1.00 71.34 H new ATOM 0 HE2 LYS A 60 12.931 -0.286 11.302 1.00 2.54 H new ATOM 0 HE3 LYS A 60 12.506 0.262 9.693 1.00 2.54 H new ATOM 0 HZ1 LYS A 60 14.710 0.977 10.215 1.00 5.13 H new ATOM 0 HZ2 LYS A 60 13.714 2.351 10.165 1.00 5.13 H new ATOM 0 HZ3 LYS A 60 14.203 1.711 11.660 1.00 5.13 H new ATOM 959 N ALA A 61 6.707 3.295 10.133 1.00 34.21 N ATOM 960 CA ALA A 61 5.296 3.303 10.564 1.00 43.42 C ATOM 961 C ALA A 61 4.906 1.923 11.148 1.00 23.24 C ATOM 962 O ALA A 61 5.265 0.886 10.595 1.00 3.25 O ATOM 963 CB ALA A 61 4.365 3.699 9.396 1.00 10.11 C ATOM 0 H ALA A 61 7.012 2.393 9.766 1.00 34.21 H new ATOM 0 HA ALA A 61 5.177 4.051 11.348 1.00 43.42 H new ATOM 0 HB1 ALA A 61 3.330 3.698 9.739 1.00 10.11 H new ATOM 0 HB2 ALA A 61 4.629 4.696 9.042 1.00 10.11 H new ATOM 0 HB3 ALA A 61 4.478 2.983 8.582 1.00 10.11 H new ATOM 969 N ALA A 62 4.176 1.931 12.271 1.00 42.22 N ATOM 970 CA ALA A 62 3.723 0.706 12.971 1.00 44.01 C ATOM 971 C ALA A 62 2.190 0.618 12.911 1.00 33.41 C ATOM 972 O ALA A 62 1.514 1.636 13.079 1.00 42.42 O ATOM 973 CB ALA A 62 4.204 0.729 14.430 1.00 63.11 C ATOM 0 H ALA A 62 3.877 2.792 12.729 1.00 42.22 H new ATOM 0 HA ALA A 62 4.146 -0.171 12.481 1.00 44.01 H new ATOM 0 HB1 ALA A 62 3.867 -0.174 14.938 1.00 63.11 H new ATOM 0 HB2 ALA A 62 5.293 0.774 14.453 1.00 63.11 H new ATOM 0 HB3 ALA A 62 3.794 1.604 14.935 1.00 63.11 H new ATOM 979 N TYR A 63 1.647 -0.592 12.669 1.00 3.13 N ATOM 980 CA TYR A 63 0.182 -0.809 12.605 1.00 52.43 C ATOM 981 C TYR A 63 -0.212 -2.275 12.885 1.00 22.13 C ATOM 982 O TYR A 63 0.640 -3.156 13.037 1.00 3.51 O ATOM 983 CB TYR A 63 -0.392 -0.354 11.231 1.00 75.41 C ATOM 984 CG TYR A 63 0.120 -1.132 10.000 1.00 71.14 C ATOM 985 CD1 TYR A 63 1.310 -0.769 9.358 1.00 74.35 C ATOM 986 CD2 TYR A 63 -0.595 -2.218 9.473 1.00 64.41 C ATOM 987 CE1 TYR A 63 1.761 -1.450 8.246 1.00 41.40 C ATOM 988 CE2 TYR A 63 -0.142 -2.904 8.364 1.00 33.11 C ATOM 989 CZ TYR A 63 1.035 -2.516 7.754 1.00 12.33 C ATOM 990 OH TYR A 63 1.483 -3.192 6.641 1.00 4.13 O ATOM 0 H TYR A 63 2.199 -1.436 12.514 1.00 3.13 H new ATOM 0 HA TYR A 63 -0.255 -0.196 13.394 1.00 52.43 H new ATOM 0 HB2 TYR A 63 -1.478 -0.439 11.266 1.00 75.41 H new ATOM 0 HB3 TYR A 63 -0.160 0.702 11.093 1.00 75.41 H new ATOM 0 HD1 TYR A 63 1.886 0.060 9.741 1.00 74.35 H new ATOM 0 HD2 TYR A 63 -1.518 -2.523 9.944 1.00 64.41 H new ATOM 0 HE1 TYR A 63 2.679 -1.150 7.762 1.00 41.40 H new ATOM 0 HE2 TYR A 63 -0.705 -3.740 7.975 1.00 33.11 H new ATOM 0 HH TYR A 63 1.685 -2.551 5.928 1.00 4.13 H new ATOM 1000 N TYR A 64 -1.533 -2.505 12.959 1.00 44.11 N ATOM 1001 CA TYR A 64 -2.122 -3.853 13.065 1.00 24.31 C ATOM 1002 C TYR A 64 -3.539 -3.869 12.452 1.00 13.42 C ATOM 1003 O TYR A 64 -4.347 -2.984 12.733 1.00 11.10 O ATOM 1004 CB TYR A 64 -2.151 -4.325 14.550 1.00 70.40 C ATOM 1005 CG TYR A 64 -2.799 -3.327 15.540 1.00 52.30 C ATOM 1006 CD1 TYR A 64 -2.062 -2.270 16.087 1.00 54.43 C ATOM 1007 CD2 TYR A 64 -4.138 -3.444 15.922 1.00 10.24 C ATOM 1008 CE1 TYR A 64 -2.635 -1.380 16.974 1.00 54.23 C ATOM 1009 CE2 TYR A 64 -4.712 -2.552 16.808 1.00 31.51 C ATOM 1010 CZ TYR A 64 -3.956 -1.522 17.332 1.00 20.53 C ATOM 1011 OH TYR A 64 -4.521 -0.628 18.217 1.00 63.11 O ATOM 0 H TYR A 64 -2.227 -1.758 12.947 1.00 44.11 H new ATOM 0 HA TYR A 64 -1.499 -4.550 12.504 1.00 24.31 H new ATOM 0 HB2 TYR A 64 -2.691 -5.270 14.605 1.00 70.40 H new ATOM 0 HB3 TYR A 64 -1.129 -4.522 14.873 1.00 70.40 H new ATOM 0 HD1 TYR A 64 -1.025 -2.148 15.810 1.00 54.43 H new ATOM 0 HD2 TYR A 64 -4.736 -4.247 15.517 1.00 10.24 H new ATOM 0 HE1 TYR A 64 -2.047 -0.573 17.386 1.00 54.23 H new ATOM 0 HE2 TYR A 64 -5.749 -2.660 17.090 1.00 31.51 H new ATOM 0 HH TYR A 64 -5.460 -0.865 18.366 1.00 63.11 H new ATOM 1021 N MET A 65 -3.838 -4.891 11.637 1.00 74.21 N ATOM 1022 CA MET A 65 -5.173 -5.072 11.031 1.00 11.53 C ATOM 1023 C MET A 65 -6.086 -5.837 12.006 1.00 42.34 C ATOM 1024 O MET A 65 -5.887 -7.027 12.244 1.00 60.25 O ATOM 1025 CB MET A 65 -5.056 -5.818 9.675 1.00 34.14 C ATOM 1026 CG MET A 65 -4.301 -5.042 8.584 1.00 32.01 C ATOM 1027 SD MET A 65 -4.206 -5.941 7.020 1.00 74.43 S ATOM 1028 CE MET A 65 -3.243 -7.386 7.477 1.00 23.25 C ATOM 0 H MET A 65 -3.167 -5.614 11.378 1.00 74.21 H new ATOM 0 HA MET A 65 -5.614 -4.094 10.837 1.00 11.53 H new ATOM 0 HB2 MET A 65 -4.552 -6.770 9.841 1.00 34.14 H new ATOM 0 HB3 MET A 65 -6.058 -6.047 9.313 1.00 34.14 H new ATOM 0 HG2 MET A 65 -4.796 -4.085 8.418 1.00 32.01 H new ATOM 0 HG3 MET A 65 -3.292 -4.823 8.933 1.00 32.01 H new ATOM 0 HE1 MET A 65 -2.914 -7.904 6.576 1.00 23.25 H new ATOM 0 HE2 MET A 65 -2.373 -7.075 8.055 1.00 23.25 H new ATOM 0 HE3 MET A 65 -3.857 -8.057 8.077 1.00 23.25 H new ATOM 1038 N THR A 66 -7.055 -5.128 12.602 1.00 2.22 N ATOM 1039 CA THR A 66 -7.990 -5.712 13.585 1.00 32.33 C ATOM 1040 C THR A 66 -9.113 -6.489 12.861 1.00 41.12 C ATOM 1041 O THR A 66 -10.060 -5.891 12.346 1.00 10.41 O ATOM 1042 CB THR A 66 -8.596 -4.606 14.515 1.00 44.11 C ATOM 1043 OG1 THR A 66 -7.525 -3.848 15.115 1.00 32.02 O ATOM 1044 CG2 THR A 66 -9.486 -5.203 15.632 1.00 45.44 C ATOM 0 H THR A 66 -7.216 -4.137 12.420 1.00 2.22 H new ATOM 0 HA THR A 66 -7.432 -6.407 14.213 1.00 32.33 H new ATOM 0 HB THR A 66 -9.225 -3.964 13.898 1.00 44.11 H new ATOM 0 HG1 THR A 66 -7.901 -3.154 15.696 1.00 32.02 H new ATOM 0 HG21 THR A 66 -9.883 -4.398 16.250 1.00 45.44 H new ATOM 0 HG22 THR A 66 -10.311 -5.756 15.183 1.00 45.44 H new ATOM 0 HG23 THR A 66 -8.892 -5.876 16.250 1.00 45.44 H new ATOM 1052 N GLY A 67 -8.973 -7.824 12.818 1.00 62.41 N ATOM 1053 CA GLY A 67 -9.909 -8.705 12.106 1.00 12.41 C ATOM 1054 C GLY A 67 -11.281 -8.859 12.767 1.00 61.42 C ATOM 1055 O GLY A 67 -11.509 -8.315 13.857 1.00 73.04 O ATOM 0 H GLY A 67 -8.209 -8.321 13.275 1.00 62.41 H new ATOM 0 HA2 GLY A 67 -10.050 -8.320 11.096 1.00 12.41 H new ATOM 0 HA3 GLY A 67 -9.455 -9.691 12.011 1.00 12.41 H new ATOM 1059 N PRO A 68 -12.221 -9.643 12.142 1.00 64.43 N ATOM 1060 CA PRO A 68 -13.604 -9.834 12.672 1.00 72.24 C ATOM 1061 C PRO A 68 -13.628 -10.636 14.005 1.00 74.41 C ATOM 1062 O PRO A 68 -14.549 -10.502 14.813 1.00 42.15 O ATOM 1063 CB PRO A 68 -14.321 -10.596 11.521 1.00 65.32 C ATOM 1064 CG PRO A 68 -13.216 -11.326 10.805 1.00 73.15 C ATOM 1065 CD PRO A 68 -12.004 -10.415 10.878 1.00 43.11 C ATOM 0 HA PRO A 68 -14.087 -8.891 12.928 1.00 72.24 H new ATOM 0 HB2 PRO A 68 -15.068 -11.289 11.909 1.00 65.32 H new ATOM 0 HB3 PRO A 68 -14.840 -9.909 10.853 1.00 65.32 H new ATOM 0 HG2 PRO A 68 -13.012 -12.287 11.277 1.00 73.15 H new ATOM 0 HG3 PRO A 68 -13.489 -11.531 9.770 1.00 73.15 H new ATOM 0 HD2 PRO A 68 -11.075 -10.985 10.910 1.00 43.11 H new ATOM 0 HD3 PRO A 68 -11.944 -9.757 10.011 1.00 43.11 H new ATOM 1073 N ASP A 69 -12.581 -11.447 14.220 1.00 74.23 N ATOM 1074 CA ASP A 69 -12.395 -12.243 15.452 1.00 63.11 C ATOM 1075 C ASP A 69 -11.691 -11.421 16.562 1.00 63.15 C ATOM 1076 O ASP A 69 -11.475 -11.918 17.674 1.00 3.43 O ATOM 1077 CB ASP A 69 -11.553 -13.497 15.116 1.00 3.34 C ATOM 1078 CG ASP A 69 -12.102 -14.256 13.902 1.00 64.21 C ATOM 1079 OD1 ASP A 69 -11.735 -13.906 12.758 1.00 71.23 O ATOM 1080 OD2 ASP A 69 -12.915 -15.185 14.078 1.00 11.33 O ATOM 0 H ASP A 69 -11.831 -11.573 13.540 1.00 74.23 H new ATOM 0 HA ASP A 69 -13.376 -12.533 15.828 1.00 63.11 H new ATOM 0 HB2 ASP A 69 -10.523 -13.199 14.920 1.00 3.34 H new ATOM 0 HB3 ASP A 69 -11.534 -14.162 15.980 1.00 3.34 H new ATOM 1085 N GLY A 70 -11.353 -10.153 16.243 1.00 14.34 N ATOM 1086 CA GLY A 70 -10.502 -9.323 17.099 1.00 63.15 C ATOM 1087 C GLY A 70 -9.003 -9.587 16.896 1.00 55.04 C ATOM 1088 O GLY A 70 -8.167 -8.990 17.580 1.00 10.44 O ATOM 0 H GLY A 70 -11.663 -9.686 15.391 1.00 14.34 H new ATOM 0 HA2 GLY A 70 -10.710 -8.272 16.898 1.00 63.15 H new ATOM 0 HA3 GLY A 70 -10.759 -9.505 18.143 1.00 63.15 H new ATOM 1092 N THR A 71 -8.671 -10.476 15.935 1.00 41.23 N ATOM 1093 CA THR A 71 -7.281 -10.886 15.643 1.00 20.21 C ATOM 1094 C THR A 71 -6.461 -9.718 15.048 1.00 31.44 C ATOM 1095 O THR A 71 -6.673 -9.320 13.904 1.00 51.15 O ATOM 1096 CB THR A 71 -7.245 -12.108 14.657 1.00 34.35 C ATOM 1097 OG1 THR A 71 -8.055 -13.180 15.177 1.00 33.05 O ATOM 1098 CG2 THR A 71 -5.805 -12.623 14.418 1.00 44.53 C ATOM 0 H THR A 71 -9.362 -10.931 15.338 1.00 41.23 H new ATOM 0 HA THR A 71 -6.831 -11.182 16.591 1.00 20.21 H new ATOM 0 HB THR A 71 -7.641 -11.766 13.701 1.00 34.35 H new ATOM 0 HG1 THR A 71 -8.030 -13.939 14.557 1.00 33.05 H new ATOM 0 HG21 THR A 71 -5.830 -13.468 13.730 1.00 44.53 H new ATOM 0 HG22 THR A 71 -5.199 -11.824 13.990 1.00 44.53 H new ATOM 0 HG23 THR A 71 -5.370 -12.940 15.366 1.00 44.53 H new ATOM 1106 N LYS A 72 -5.538 -9.168 15.849 1.00 12.25 N ATOM 1107 CA LYS A 72 -4.656 -8.064 15.424 1.00 41.55 C ATOM 1108 C LYS A 72 -3.446 -8.607 14.626 1.00 51.03 C ATOM 1109 O LYS A 72 -2.533 -9.216 15.201 1.00 42.44 O ATOM 1110 CB LYS A 72 -4.184 -7.261 16.667 1.00 72.42 C ATOM 1111 CG LYS A 72 -5.327 -6.575 17.448 1.00 71.13 C ATOM 1112 CD LYS A 72 -4.826 -5.867 18.730 1.00 20.24 C ATOM 1113 CE LYS A 72 -5.944 -5.099 19.459 1.00 10.12 C ATOM 1114 NZ LYS A 72 -5.459 -4.466 20.711 1.00 32.45 N ATOM 0 H LYS A 72 -5.379 -9.473 16.809 1.00 12.25 H new ATOM 0 HA LYS A 72 -5.215 -7.397 14.768 1.00 41.55 H new ATOM 0 HB2 LYS A 72 -3.652 -7.934 17.340 1.00 72.42 H new ATOM 0 HB3 LYS A 72 -3.471 -6.501 16.346 1.00 72.42 H new ATOM 0 HG2 LYS A 72 -5.818 -5.847 16.803 1.00 71.13 H new ATOM 0 HG3 LYS A 72 -6.077 -7.319 17.717 1.00 71.13 H new ATOM 0 HD2 LYS A 72 -4.399 -6.608 19.406 1.00 20.24 H new ATOM 0 HD3 LYS A 72 -4.026 -5.175 18.469 1.00 20.24 H new ATOM 0 HE2 LYS A 72 -6.348 -4.332 18.798 1.00 10.12 H new ATOM 0 HE3 LYS A 72 -6.761 -5.782 19.691 1.00 10.12 H new ATOM 0 HZ1 LYS A 72 -6.243 -3.960 21.170 1.00 32.45 H new ATOM 0 HZ2 LYS A 72 -5.097 -5.200 21.353 1.00 32.45 H new ATOM 0 HZ3 LYS A 72 -4.697 -3.795 20.488 1.00 32.45 H new ATOM 1128 N ALA A 73 -3.454 -8.386 13.296 1.00 74.54 N ATOM 1129 CA ALA A 73 -2.354 -8.813 12.408 1.00 20.32 C ATOM 1130 C ALA A 73 -1.294 -7.697 12.346 1.00 25.15 C ATOM 1131 O ALA A 73 -1.457 -6.711 11.617 1.00 45.51 O ATOM 1132 CB ALA A 73 -2.891 -9.152 11.005 1.00 24.10 C ATOM 0 H ALA A 73 -4.215 -7.911 12.811 1.00 74.54 H new ATOM 0 HA ALA A 73 -1.892 -9.716 12.806 1.00 20.32 H new ATOM 0 HB1 ALA A 73 -2.066 -9.464 10.365 1.00 24.10 H new ATOM 0 HB2 ALA A 73 -3.619 -9.960 11.079 1.00 24.10 H new ATOM 0 HB3 ALA A 73 -3.369 -8.272 10.576 1.00 24.10 H new ATOM 1138 N ARG A 74 -0.214 -7.865 13.122 1.00 24.11 N ATOM 1139 CA ARG A 74 0.841 -6.843 13.274 1.00 52.13 C ATOM 1140 C ARG A 74 1.687 -6.721 11.987 1.00 52.12 C ATOM 1141 O ARG A 74 2.188 -7.719 11.475 1.00 1.51 O ATOM 1142 CB ARG A 74 1.719 -7.189 14.511 1.00 55.10 C ATOM 1143 CG ARG A 74 2.823 -6.149 14.851 1.00 13.10 C ATOM 1144 CD ARG A 74 3.347 -6.298 16.295 1.00 14.24 C ATOM 1145 NE ARG A 74 4.392 -5.310 16.646 1.00 12.42 N ATOM 1146 CZ ARG A 74 4.244 -4.264 17.440 1.00 4.14 C ATOM 1147 NH1 ARG A 74 3.078 -3.884 17.870 1.00 2.41 N ATOM 1148 NH2 ARG A 74 5.279 -3.570 17.761 1.00 32.35 N ATOM 0 H ARG A 74 -0.044 -8.712 13.664 1.00 24.11 H new ATOM 0 HA ARG A 74 0.378 -5.870 13.438 1.00 52.13 H new ATOM 0 HB2 ARG A 74 1.068 -7.301 15.378 1.00 55.10 H new ATOM 0 HB3 ARG A 74 2.193 -8.156 14.341 1.00 55.10 H new ATOM 0 HG2 ARG A 74 3.652 -6.262 14.153 1.00 13.10 H new ATOM 0 HG3 ARG A 74 2.426 -5.143 14.713 1.00 13.10 H new ATOM 0 HD2 ARG A 74 2.513 -6.195 16.989 1.00 14.24 H new ATOM 0 HD3 ARG A 74 3.749 -7.303 16.426 1.00 14.24 H new ATOM 0 HE ARG A 74 5.315 -5.450 16.235 1.00 12.42 H new ATOM 0 HH11 ARG A 74 2.241 -4.398 17.596 1.00 2.41 H new ATOM 0 HH12 ARG A 74 3.000 -3.072 18.482 1.00 2.41 H new ATOM 0 HH21 ARG A 74 6.198 -3.830 17.403 1.00 32.35 H new ATOM 0 HH22 ARG A 74 5.180 -2.760 18.373 1.00 32.35 H new ATOM 1162 N GLY A 75 1.803 -5.486 11.464 1.00 11.22 N ATOM 1163 CA GLY A 75 2.579 -5.195 10.251 1.00 74.32 C ATOM 1164 C GLY A 75 3.428 -3.936 10.403 1.00 2.34 C ATOM 1165 O GLY A 75 3.086 -3.033 11.178 1.00 74.23 O ATOM 0 H GLY A 75 1.360 -4.664 11.873 1.00 11.22 H new ATOM 0 HA2 GLY A 75 3.225 -6.042 10.022 1.00 74.32 H new ATOM 0 HA3 GLY A 75 1.900 -5.075 9.407 1.00 74.32 H new ATOM 1169 N TRP A 76 4.525 -3.864 9.642 1.00 3.21 N ATOM 1170 CA TRP A 76 5.510 -2.763 9.726 1.00 30.44 C ATOM 1171 C TRP A 76 5.672 -2.045 8.361 1.00 52.21 C ATOM 1172 O TRP A 76 5.389 -2.616 7.298 1.00 4.42 O ATOM 1173 CB TRP A 76 6.882 -3.329 10.207 1.00 12.11 C ATOM 1174 CG TRP A 76 7.470 -4.357 9.260 1.00 65.32 C ATOM 1175 CD1 TRP A 76 7.248 -5.705 9.257 1.00 31.41 C ATOM 1176 CD2 TRP A 76 8.361 -4.101 8.159 1.00 70.11 C ATOM 1177 NE1 TRP A 76 7.912 -6.293 8.214 1.00 13.41 N ATOM 1178 CE2 TRP A 76 8.609 -5.329 7.530 1.00 1.20 C ATOM 1179 CE3 TRP A 76 8.960 -2.944 7.648 1.00 74.22 C ATOM 1180 CZ2 TRP A 76 9.426 -5.437 6.412 1.00 55.22 C ATOM 1181 CZ3 TRP A 76 9.772 -3.048 6.544 1.00 55.31 C ATOM 1182 CH2 TRP A 76 9.999 -4.285 5.933 1.00 71.32 C ATOM 0 H TRP A 76 4.762 -4.569 8.944 1.00 3.21 H new ATOM 0 HA TRP A 76 5.147 -2.028 10.444 1.00 30.44 H new ATOM 0 HB2 TRP A 76 7.587 -2.506 10.322 1.00 12.11 H new ATOM 0 HB3 TRP A 76 6.756 -3.781 11.191 1.00 12.11 H new ATOM 0 HD1 TRP A 76 6.636 -6.231 9.975 1.00 31.41 H new ATOM 0 HE1 TRP A 76 7.892 -7.286 7.983 1.00 13.41 H new ATOM 0 HE3 TRP A 76 8.787 -1.985 8.114 1.00 74.22 H new ATOM 0 HZ2 TRP A 76 9.604 -6.391 5.938 1.00 55.22 H new ATOM 0 HZ3 TRP A 76 10.241 -2.162 6.143 1.00 55.31 H new ATOM 0 HH2 TRP A 76 10.639 -4.335 5.065 1.00 71.32 H new ATOM 1193 N TRP A 77 6.136 -0.789 8.427 1.00 15.23 N ATOM 1194 CA TRP A 77 6.546 0.031 7.255 1.00 51.22 C ATOM 1195 C TRP A 77 7.939 0.671 7.484 1.00 2.41 C ATOM 1196 O TRP A 77 8.364 0.869 8.629 1.00 74.50 O ATOM 1197 CB TRP A 77 5.515 1.173 7.006 1.00 62.31 C ATOM 1198 CG TRP A 77 4.363 0.871 6.075 1.00 21.42 C ATOM 1199 CD1 TRP A 77 3.909 -0.340 5.635 1.00 73.40 C ATOM 1200 CD2 TRP A 77 3.531 1.853 5.460 1.00 24.33 C ATOM 1201 NE1 TRP A 77 2.846 -0.161 4.788 1.00 5.23 N ATOM 1202 CE2 TRP A 77 2.601 1.183 4.663 1.00 41.14 C ATOM 1203 CE3 TRP A 77 3.497 3.239 5.511 1.00 43.44 C ATOM 1204 CZ2 TRP A 77 1.641 1.865 3.921 1.00 73.32 C ATOM 1205 CZ3 TRP A 77 2.553 3.912 4.775 1.00 13.20 C ATOM 1206 CH2 TRP A 77 1.638 3.223 3.986 1.00 30.33 C ATOM 0 H TRP A 77 6.243 -0.294 9.313 1.00 15.23 H new ATOM 0 HA TRP A 77 6.589 -0.632 6.391 1.00 51.22 H new ATOM 0 HB2 TRP A 77 5.102 1.471 7.969 1.00 62.31 H new ATOM 0 HB3 TRP A 77 6.053 2.034 6.610 1.00 62.31 H new ATOM 0 HD1 TRP A 77 4.326 -1.297 5.913 1.00 73.40 H new ATOM 0 HE1 TRP A 77 2.323 -0.905 4.326 1.00 5.23 H new ATOM 0 HE3 TRP A 77 4.204 3.782 6.122 1.00 43.44 H new ATOM 0 HZ2 TRP A 77 0.923 1.333 3.314 1.00 73.32 H new ATOM 0 HZ3 TRP A 77 2.521 4.991 4.809 1.00 13.20 H new ATOM 0 HH2 TRP A 77 0.910 3.778 3.413 1.00 30.33 H new ATOM 1217 N GLN A 78 8.627 1.015 6.376 1.00 5.03 N ATOM 1218 CA GLN A 78 9.796 1.921 6.404 1.00 14.02 C ATOM 1219 C GLN A 78 9.913 2.710 5.076 1.00 14.44 C ATOM 1220 O GLN A 78 10.217 2.137 4.025 1.00 32.35 O ATOM 1221 CB GLN A 78 11.121 1.173 6.706 1.00 15.34 C ATOM 1222 CG GLN A 78 12.354 2.116 6.770 1.00 3.33 C ATOM 1223 CD GLN A 78 13.654 1.432 7.175 1.00 30.53 C ATOM 1224 OE1 GLN A 78 13.850 0.244 6.945 1.00 3.22 O ATOM 1225 NE2 GLN A 78 14.566 2.186 7.764 1.00 32.15 N ATOM 0 H GLN A 78 8.391 0.676 5.443 1.00 5.03 H new ATOM 0 HA GLN A 78 9.629 2.623 7.221 1.00 14.02 H new ATOM 0 HB2 GLN A 78 11.025 0.646 7.655 1.00 15.34 H new ATOM 0 HB3 GLN A 78 11.288 0.418 5.938 1.00 15.34 H new ATOM 0 HG2 GLN A 78 12.492 2.580 5.793 1.00 3.33 H new ATOM 0 HG3 GLN A 78 12.145 2.919 7.477 1.00 3.33 H new ATOM 0 HE21 GLN A 78 14.375 3.172 7.943 1.00 32.15 H new ATOM 0 HE22 GLN A 78 15.461 1.782 8.040 1.00 32.15 H new ATOM 1234 N PHE A 79 9.684 4.033 5.155 1.00 54.13 N ATOM 1235 CA PHE A 79 9.738 4.957 4.005 1.00 20.24 C ATOM 1236 C PHE A 79 11.188 5.171 3.514 1.00 32.14 C ATOM 1237 O PHE A 79 12.092 5.400 4.320 1.00 52.10 O ATOM 1238 CB PHE A 79 9.131 6.324 4.396 1.00 72.04 C ATOM 1239 CG PHE A 79 7.717 6.258 4.964 1.00 74.30 C ATOM 1240 CD1 PHE A 79 6.607 6.244 4.122 1.00 20.21 C ATOM 1241 CD2 PHE A 79 7.501 6.218 6.346 1.00 12.40 C ATOM 1242 CE1 PHE A 79 5.331 6.198 4.638 1.00 2.45 C ATOM 1243 CE2 PHE A 79 6.222 6.173 6.861 1.00 63.20 C ATOM 1244 CZ PHE A 79 5.138 6.165 6.009 1.00 4.40 C ATOM 0 H PHE A 79 9.453 4.499 6.033 1.00 54.13 H new ATOM 0 HA PHE A 79 9.162 4.508 3.196 1.00 20.24 H new ATOM 0 HB2 PHE A 79 9.781 6.797 5.132 1.00 72.04 H new ATOM 0 HB3 PHE A 79 9.124 6.968 3.516 1.00 72.04 H new ATOM 0 HD1 PHE A 79 6.749 6.270 3.052 1.00 20.21 H new ATOM 0 HD2 PHE A 79 8.346 6.222 7.018 1.00 12.40 H new ATOM 0 HE1 PHE A 79 4.480 6.188 3.973 1.00 2.45 H new ATOM 0 HE2 PHE A 79 6.070 6.144 7.930 1.00 63.20 H new ATOM 0 HZ PHE A 79 4.136 6.133 6.412 1.00 4.40 H new ATOM 1254 N THR A 80 11.392 5.096 2.190 1.00 30.24 N ATOM 1255 CA THR A 80 12.701 5.366 1.555 1.00 34.34 C ATOM 1256 C THR A 80 12.709 6.761 0.869 1.00 72.21 C ATOM 1257 O THR A 80 13.339 7.693 1.365 1.00 60.23 O ATOM 1258 CB THR A 80 13.080 4.242 0.523 1.00 63.04 C ATOM 1259 OG1 THR A 80 12.140 4.218 -0.551 1.00 12.32 O ATOM 1260 CG2 THR A 80 13.110 2.853 1.167 1.00 14.23 C ATOM 0 H THR A 80 10.659 4.847 1.526 1.00 30.24 H new ATOM 0 HA THR A 80 13.454 5.366 2.343 1.00 34.34 H new ATOM 0 HB THR A 80 14.078 4.479 0.155 1.00 63.04 H new ATOM 0 HG1 THR A 80 12.614 4.083 -1.398 1.00 12.32 H new ATOM 0 HG21 THR A 80 13.376 2.109 0.416 1.00 14.23 H new ATOM 0 HG22 THR A 80 13.848 2.840 1.969 1.00 14.23 H new ATOM 0 HG23 THR A 80 12.127 2.620 1.575 1.00 14.23 H new ATOM 1268 N THR A 81 11.976 6.903 -0.253 1.00 21.10 N ATOM 1269 CA THR A 81 11.989 8.134 -1.096 1.00 41.12 C ATOM 1270 C THR A 81 10.617 8.843 -1.079 1.00 30.43 C ATOM 1271 O THR A 81 9.651 8.360 -1.678 1.00 0.14 O ATOM 1272 CB THR A 81 12.368 7.801 -2.583 1.00 34.15 C ATOM 1273 OG1 THR A 81 13.638 7.125 -2.637 1.00 54.21 O ATOM 1274 CG2 THR A 81 12.424 9.054 -3.490 1.00 12.32 C ATOM 0 H THR A 81 11.357 6.174 -0.607 1.00 21.10 H new ATOM 0 HA THR A 81 12.742 8.798 -0.670 1.00 41.12 H new ATOM 0 HB THR A 81 11.576 7.155 -2.962 1.00 34.15 H new ATOM 0 HG1 THR A 81 13.861 6.922 -3.569 1.00 54.21 H new ATOM 0 HG21 THR A 81 12.691 8.757 -4.504 1.00 12.32 H new ATOM 0 HG22 THR A 81 11.449 9.541 -3.499 1.00 12.32 H new ATOM 0 HG23 THR A 81 13.172 9.748 -3.106 1.00 12.32 H new ATOM 1282 N ILE A 82 10.538 9.989 -0.381 1.00 21.15 N ATOM 1283 CA ILE A 82 9.334 10.852 -0.373 1.00 42.31 C ATOM 1284 C ILE A 82 9.671 12.228 -0.996 1.00 31.24 C ATOM 1285 O ILE A 82 10.388 13.035 -0.394 1.00 52.02 O ATOM 1286 CB ILE A 82 8.760 11.036 1.085 1.00 11.11 C ATOM 1287 CG1 ILE A 82 8.498 9.641 1.743 1.00 73.52 C ATOM 1288 CG2 ILE A 82 7.473 11.910 1.072 1.00 54.31 C ATOM 1289 CD1 ILE A 82 7.805 9.677 3.094 1.00 12.41 C ATOM 0 H ILE A 82 11.302 10.346 0.193 1.00 21.15 H new ATOM 0 HA ILE A 82 8.564 10.363 -0.969 1.00 42.31 H new ATOM 0 HB ILE A 82 9.502 11.561 1.687 1.00 11.11 H new ATOM 0 HG12 ILE A 82 7.894 9.044 1.060 1.00 73.52 H new ATOM 0 HG13 ILE A 82 9.452 9.127 1.857 1.00 73.52 H new ATOM 0 HG21 ILE A 82 7.098 12.021 2.090 1.00 54.31 H new ATOM 0 HG22 ILE A 82 7.705 12.893 0.662 1.00 54.31 H new ATOM 0 HG23 ILE A 82 6.713 11.429 0.456 1.00 54.31 H new ATOM 0 HD11 ILE A 82 7.671 8.660 3.462 1.00 12.41 H new ATOM 0 HD12 ILE A 82 8.414 10.241 3.800 1.00 12.41 H new ATOM 0 HD13 ILE A 82 6.831 10.156 2.991 1.00 12.41 H new ATOM 1301 N GLU A 83 9.188 12.466 -2.228 1.00 0.13 N ATOM 1302 CA GLU A 83 9.388 13.752 -2.944 1.00 42.22 C ATOM 1303 C GLU A 83 8.172 14.689 -2.771 1.00 42.15 C ATOM 1304 O GLU A 83 8.348 15.896 -2.561 1.00 45.54 O ATOM 1305 CB GLU A 83 9.661 13.492 -4.446 1.00 40.53 C ATOM 1306 CG GLU A 83 10.969 12.713 -4.725 1.00 74.41 C ATOM 1307 CD GLU A 83 11.290 12.515 -6.217 1.00 10.44 C ATOM 1308 OE1 GLU A 83 10.872 13.342 -7.047 1.00 14.51 O ATOM 1309 OE2 GLU A 83 11.957 11.521 -6.566 1.00 71.32 O ATOM 0 H GLU A 83 8.650 11.781 -2.759 1.00 0.13 H new ATOM 0 HA GLU A 83 10.254 14.248 -2.507 1.00 42.22 H new ATOM 0 HB2 GLU A 83 8.823 12.936 -4.866 1.00 40.53 H new ATOM 0 HB3 GLU A 83 9.702 14.448 -4.968 1.00 40.53 H new ATOM 0 HG2 GLU A 83 11.799 13.241 -4.255 1.00 74.41 H new ATOM 0 HG3 GLU A 83 10.903 11.735 -4.248 1.00 74.41 H new ATOM 1316 N ALA A 84 6.954 14.106 -2.883 1.00 11.15 N ATOM 1317 CA ALA A 84 5.651 14.828 -2.777 1.00 1.45 C ATOM 1318 C ALA A 84 5.400 15.829 -3.955 1.00 2.51 C ATOM 1319 O ALA A 84 6.331 16.488 -4.420 1.00 3.14 O ATOM 1320 CB ALA A 84 5.500 15.531 -1.409 1.00 22.10 C ATOM 0 H ALA A 84 6.841 13.106 -3.052 1.00 11.15 H new ATOM 0 HA ALA A 84 4.880 14.062 -2.855 1.00 1.45 H new ATOM 0 HB1 ALA A 84 4.540 16.046 -1.368 1.00 22.10 H new ATOM 0 HB2 ALA A 84 5.548 14.789 -0.612 1.00 22.10 H new ATOM 0 HB3 ALA A 84 6.305 16.254 -1.281 1.00 22.10 H new ATOM 1326 N PRO A 85 4.127 15.975 -4.461 1.00 71.02 N ATOM 1327 CA PRO A 85 2.921 15.233 -3.991 1.00 10.32 C ATOM 1328 C PRO A 85 2.637 13.943 -4.802 1.00 73.45 C ATOM 1329 O PRO A 85 1.556 13.372 -4.707 1.00 23.11 O ATOM 1330 CB PRO A 85 1.825 16.285 -4.234 1.00 24.23 C ATOM 1331 CG PRO A 85 2.234 16.923 -5.541 1.00 45.43 C ATOM 1332 CD PRO A 85 3.761 16.921 -5.554 1.00 65.51 C ATOM 0 HA PRO A 85 3.011 14.874 -2.966 1.00 10.32 H new ATOM 0 HB2 PRO A 85 0.838 15.828 -4.302 1.00 24.23 H new ATOM 0 HB3 PRO A 85 1.783 17.016 -3.426 1.00 24.23 H new ATOM 0 HG2 PRO A 85 1.836 16.365 -6.388 1.00 45.43 H new ATOM 0 HG3 PRO A 85 1.845 17.938 -5.618 1.00 45.43 H new ATOM 0 HD2 PRO A 85 4.152 16.590 -6.516 1.00 65.51 H new ATOM 0 HD3 PRO A 85 4.164 17.917 -5.372 1.00 65.51 H new ATOM 1340 N ASP A 86 3.619 13.502 -5.598 1.00 4.11 N ATOM 1341 CA ASP A 86 3.459 12.389 -6.555 1.00 3.14 C ATOM 1342 C ASP A 86 4.263 11.127 -6.136 1.00 41.00 C ATOM 1343 O ASP A 86 3.713 10.024 -6.071 1.00 73.21 O ATOM 1344 CB ASP A 86 3.867 12.888 -7.972 1.00 21.52 C ATOM 1345 CG ASP A 86 5.327 13.375 -8.070 1.00 30.11 C ATOM 1346 OD1 ASP A 86 5.658 14.414 -7.453 1.00 73.31 O ATOM 1347 OD2 ASP A 86 6.155 12.707 -8.732 1.00 51.24 O ATOM 0 H ASP A 86 4.555 13.907 -5.600 1.00 4.11 H new ATOM 0 HA ASP A 86 2.414 12.080 -6.564 1.00 3.14 H new ATOM 0 HB2 ASP A 86 3.716 12.080 -8.688 1.00 21.52 H new ATOM 0 HB3 ASP A 86 3.203 13.702 -8.264 1.00 21.52 H new ATOM 1352 N HIS A 87 5.562 11.301 -5.837 1.00 73.44 N ATOM 1353 CA HIS A 87 6.491 10.170 -5.613 1.00 3.51 C ATOM 1354 C HIS A 87 6.562 9.785 -4.111 1.00 12.44 C ATOM 1355 O HIS A 87 6.999 10.573 -3.262 1.00 20.31 O ATOM 1356 CB HIS A 87 7.897 10.533 -6.163 1.00 13.42 C ATOM 1357 CG HIS A 87 8.868 9.373 -6.320 1.00 20.03 C ATOM 1358 ND1 HIS A 87 10.042 9.486 -7.037 1.00 24.24 N ATOM 1359 CD2 HIS A 87 8.850 8.092 -5.861 1.00 3.41 C ATOM 1360 CE1 HIS A 87 10.693 8.346 -7.009 1.00 73.24 C ATOM 1361 NE2 HIS A 87 9.996 7.486 -6.309 1.00 11.43 N ATOM 0 H HIS A 87 5.998 12.218 -5.744 1.00 73.44 H new ATOM 0 HA HIS A 87 6.115 9.299 -6.150 1.00 3.51 H new ATOM 0 HB2 HIS A 87 7.773 11.012 -7.134 1.00 13.42 H new ATOM 0 HB3 HIS A 87 8.347 11.271 -5.498 1.00 13.42 H new ATOM 0 HD1 HIS A 87 10.357 10.329 -7.517 1.00 24.24 H new ATOM 0 HD2 HIS A 87 8.078 7.638 -5.257 1.00 3.41 H new ATOM 0 HE1 HIS A 87 11.643 8.150 -7.483 1.00 73.24 H new ATOM 1370 N LEU A 88 6.129 8.552 -3.827 1.00 42.04 N ATOM 1371 CA LEU A 88 6.255 7.892 -2.519 1.00 3.21 C ATOM 1372 C LEU A 88 6.899 6.508 -2.726 1.00 44.32 C ATOM 1373 O LEU A 88 6.541 5.790 -3.662 1.00 53.54 O ATOM 1374 CB LEU A 88 4.857 7.744 -1.851 1.00 71.35 C ATOM 1375 CG LEU A 88 4.795 6.944 -0.510 1.00 14.14 C ATOM 1376 CD1 LEU A 88 5.678 7.580 0.582 1.00 32.33 C ATOM 1377 CD2 LEU A 88 3.338 6.798 -0.028 1.00 53.22 C ATOM 0 H LEU A 88 5.666 7.966 -4.522 1.00 42.04 H new ATOM 0 HA LEU A 88 6.881 8.495 -1.861 1.00 3.21 H new ATOM 0 HB2 LEU A 88 4.461 8.743 -1.669 1.00 71.35 H new ATOM 0 HB3 LEU A 88 4.189 7.262 -2.565 1.00 71.35 H new ATOM 0 HG LEU A 88 5.194 5.949 -0.705 1.00 14.14 H new ATOM 0 HD11 LEU A 88 5.605 6.992 1.497 1.00 32.33 H new ATOM 0 HD12 LEU A 88 6.715 7.601 0.245 1.00 32.33 H new ATOM 0 HD13 LEU A 88 5.339 8.598 0.777 1.00 32.33 H new ATOM 0 HD21 LEU A 88 3.318 6.238 0.907 1.00 53.22 H new ATOM 0 HD22 LEU A 88 2.907 7.786 0.132 1.00 53.22 H new ATOM 0 HD23 LEU A 88 2.757 6.266 -0.782 1.00 53.22 H new ATOM 1389 N GLU A 89 7.889 6.170 -1.895 1.00 24.24 N ATOM 1390 CA GLU A 89 8.476 4.817 -1.830 1.00 1.52 C ATOM 1391 C GLU A 89 8.617 4.390 -0.362 1.00 42.44 C ATOM 1392 O GLU A 89 8.972 5.205 0.499 1.00 72.52 O ATOM 1393 CB GLU A 89 9.866 4.748 -2.518 1.00 1.04 C ATOM 1394 CG GLU A 89 9.860 5.008 -4.027 1.00 73.13 C ATOM 1395 CD GLU A 89 11.188 4.663 -4.716 1.00 31.41 C ATOM 1396 OE1 GLU A 89 11.419 3.474 -5.010 1.00 62.12 O ATOM 1397 OE2 GLU A 89 12.005 5.571 -4.974 1.00 3.13 O ATOM 0 H GLU A 89 8.313 6.828 -1.241 1.00 24.24 H new ATOM 0 HA GLU A 89 7.806 4.142 -2.363 1.00 1.52 H new ATOM 0 HB2 GLU A 89 10.525 5.474 -2.043 1.00 1.04 H new ATOM 0 HB3 GLU A 89 10.295 3.762 -2.337 1.00 1.04 H new ATOM 0 HG2 GLU A 89 9.061 4.425 -4.484 1.00 73.13 H new ATOM 0 HG3 GLU A 89 9.630 6.058 -4.205 1.00 73.13 H new ATOM 1404 N PHE A 90 8.339 3.107 -0.098 1.00 40.43 N ATOM 1405 CA PHE A 90 8.471 2.499 1.238 1.00 44.41 C ATOM 1406 C PHE A 90 8.613 0.972 1.112 1.00 35.01 C ATOM 1407 O PHE A 90 8.526 0.419 0.017 1.00 41.10 O ATOM 1408 CB PHE A 90 7.266 2.877 2.162 1.00 62.40 C ATOM 1409 CG PHE A 90 5.880 2.470 1.649 1.00 13.41 C ATOM 1410 CD1 PHE A 90 5.335 1.219 1.949 1.00 35.54 C ATOM 1411 CD2 PHE A 90 5.121 3.345 0.871 1.00 44.52 C ATOM 1412 CE1 PHE A 90 4.085 0.863 1.488 1.00 53.34 C ATOM 1413 CE2 PHE A 90 3.871 2.985 0.413 1.00 14.45 C ATOM 1414 CZ PHE A 90 3.354 1.745 0.720 1.00 13.32 C ATOM 0 H PHE A 90 8.013 2.454 -0.810 1.00 40.43 H new ATOM 0 HA PHE A 90 9.372 2.896 1.705 1.00 44.41 H new ATOM 0 HB2 PHE A 90 7.422 2.416 3.137 1.00 62.40 H new ATOM 0 HB3 PHE A 90 7.274 3.956 2.315 1.00 62.40 H new ATOM 0 HD1 PHE A 90 5.900 0.522 2.550 1.00 35.54 H new ATOM 0 HD2 PHE A 90 5.518 4.318 0.624 1.00 44.52 H new ATOM 0 HE1 PHE A 90 3.678 -0.108 1.729 1.00 53.34 H new ATOM 0 HE2 PHE A 90 3.297 3.676 -0.187 1.00 14.45 H new ATOM 0 HZ PHE A 90 2.376 1.464 0.359 1.00 13.32 H new ATOM 1424 N ASP A 91 8.843 0.310 2.244 1.00 71.23 N ATOM 1425 CA ASP A 91 8.879 -1.155 2.334 1.00 1.34 C ATOM 1426 C ASP A 91 7.721 -1.637 3.211 1.00 24.44 C ATOM 1427 O ASP A 91 7.720 -1.423 4.428 1.00 62.43 O ATOM 1428 CB ASP A 91 10.238 -1.622 2.896 1.00 42.41 C ATOM 1429 CG ASP A 91 11.381 -1.403 1.895 1.00 1.23 C ATOM 1430 OD1 ASP A 91 11.797 -0.242 1.703 1.00 72.40 O ATOM 1431 OD2 ASP A 91 11.858 -2.379 1.277 1.00 34.24 O ATOM 0 H ASP A 91 9.012 0.777 3.135 1.00 71.23 H new ATOM 0 HA ASP A 91 8.766 -1.587 1.340 1.00 1.34 H new ATOM 0 HB2 ASP A 91 10.454 -1.081 3.817 1.00 42.41 H new ATOM 0 HB3 ASP A 91 10.180 -2.680 3.154 1.00 42.41 H new ATOM 1436 N ASP A 92 6.713 -2.228 2.561 1.00 21.54 N ATOM 1437 CA ASP A 92 5.601 -2.895 3.239 1.00 3.14 C ATOM 1438 C ASP A 92 6.043 -4.312 3.669 1.00 71.32 C ATOM 1439 O ASP A 92 6.919 -4.929 3.036 1.00 44.12 O ATOM 1440 CB ASP A 92 4.370 -2.946 2.296 1.00 73.40 C ATOM 1441 CG ASP A 92 3.122 -3.578 2.949 1.00 42.13 C ATOM 1442 OD1 ASP A 92 2.430 -2.882 3.719 1.00 5.23 O ATOM 1443 OD2 ASP A 92 2.865 -4.779 2.723 1.00 23.30 O ATOM 0 H ASP A 92 6.647 -2.256 1.544 1.00 21.54 H new ATOM 0 HA ASP A 92 5.317 -2.339 4.132 1.00 3.14 H new ATOM 0 HB2 ASP A 92 4.128 -1.934 1.972 1.00 73.40 H new ATOM 0 HB3 ASP A 92 4.630 -3.513 1.402 1.00 73.40 H new ATOM 1448 N GLY A 93 5.453 -4.809 4.758 1.00 4.21 N ATOM 1449 CA GLY A 93 5.734 -6.157 5.230 1.00 13.14 C ATOM 1450 C GLY A 93 4.929 -6.533 6.461 1.00 62.23 C ATOM 1451 O GLY A 93 4.436 -5.669 7.194 1.00 22.23 O ATOM 0 H GLY A 93 4.779 -4.295 5.326 1.00 4.21 H new ATOM 0 HA2 GLY A 93 5.520 -6.868 4.432 1.00 13.14 H new ATOM 0 HA3 GLY A 93 6.797 -6.243 5.457 1.00 13.14 H new ATOM 1455 N PHE A 94 4.821 -7.841 6.700 1.00 23.05 N ATOM 1456 CA PHE A 94 4.141 -8.398 7.882 1.00 74.21 C ATOM 1457 C PHE A 94 5.168 -8.618 9.008 1.00 50.25 C ATOM 1458 O PHE A 94 6.349 -8.860 8.739 1.00 73.04 O ATOM 1459 CB PHE A 94 3.429 -9.730 7.522 1.00 34.33 C ATOM 1460 CG PHE A 94 2.309 -9.571 6.487 1.00 20.45 C ATOM 1461 CD1 PHE A 94 1.014 -9.225 6.884 1.00 73.12 C ATOM 1462 CD2 PHE A 94 2.551 -9.755 5.122 1.00 32.32 C ATOM 1463 CE1 PHE A 94 -0.001 -9.079 5.952 1.00 60.30 C ATOM 1464 CE2 PHE A 94 1.534 -9.611 4.195 1.00 52.45 C ATOM 1465 CZ PHE A 94 0.260 -9.270 4.609 1.00 64.04 C ATOM 0 H PHE A 94 5.204 -8.553 6.078 1.00 23.05 H new ATOM 0 HA PHE A 94 3.383 -7.694 8.225 1.00 74.21 H new ATOM 0 HB2 PHE A 94 4.168 -10.434 7.139 1.00 34.33 H new ATOM 0 HB3 PHE A 94 3.013 -10.166 8.430 1.00 34.33 H new ATOM 0 HD1 PHE A 94 0.802 -9.069 7.931 1.00 73.12 H new ATOM 0 HD2 PHE A 94 3.545 -10.013 4.787 1.00 32.32 H new ATOM 0 HE1 PHE A 94 -0.997 -8.816 6.276 1.00 60.30 H new ATOM 0 HE2 PHE A 94 1.736 -9.765 3.145 1.00 52.45 H new ATOM 0 HZ PHE A 94 -0.531 -9.153 3.883 1.00 64.04 H new ATOM 1475 N ALA A 95 4.712 -8.515 10.260 1.00 45.32 N ATOM 1476 CA ALA A 95 5.547 -8.736 11.457 1.00 22.11 C ATOM 1477 C ALA A 95 5.076 -9.990 12.226 1.00 0.44 C ATOM 1478 O ALA A 95 3.888 -10.334 12.212 1.00 74.02 O ATOM 1479 CB ALA A 95 5.523 -7.487 12.347 1.00 31.14 C ATOM 0 H ALA A 95 3.745 -8.274 10.479 1.00 45.32 H new ATOM 0 HA ALA A 95 6.577 -8.913 11.147 1.00 22.11 H new ATOM 0 HB1 ALA A 95 6.141 -7.657 13.229 1.00 31.14 H new ATOM 0 HB2 ALA A 95 5.912 -6.635 11.789 1.00 31.14 H new ATOM 0 HB3 ALA A 95 4.498 -7.280 12.656 1.00 31.14 H new ATOM 1485 N ASP A 96 6.030 -10.646 12.908 1.00 42.24 N ATOM 1486 CA ASP A 96 5.843 -11.971 13.549 1.00 4.32 C ATOM 1487 C ASP A 96 4.779 -11.937 14.693 1.00 55.45 C ATOM 1488 O ASP A 96 3.896 -12.799 14.745 1.00 15.31 O ATOM 1489 CB ASP A 96 7.224 -12.467 14.074 1.00 22.13 C ATOM 1490 CG ASP A 96 7.791 -11.642 15.255 1.00 10.52 C ATOM 1491 OD1 ASP A 96 7.803 -10.383 15.191 1.00 4.23 O ATOM 1492 OD2 ASP A 96 8.181 -12.240 16.275 1.00 32.22 O ATOM 0 H ASP A 96 6.970 -10.270 13.035 1.00 42.24 H new ATOM 0 HA ASP A 96 5.456 -12.668 12.805 1.00 4.32 H new ATOM 0 HB2 ASP A 96 7.129 -13.507 14.386 1.00 22.13 H new ATOM 0 HB3 ASP A 96 7.941 -12.444 13.253 1.00 22.13 H new ATOM 1497 N GLU A 97 4.865 -10.879 15.535 1.00 50.44 N ATOM 1498 CA GLU A 97 4.042 -10.662 16.764 1.00 13.15 C ATOM 1499 C GLU A 97 4.684 -9.563 17.650 1.00 53.22 C ATOM 1500 O GLU A 97 3.977 -8.852 18.373 1.00 43.20 O ATOM 1501 CB GLU A 97 3.822 -11.959 17.622 1.00 73.20 C ATOM 1502 CG GLU A 97 5.082 -12.536 18.296 1.00 54.24 C ATOM 1503 CD GLU A 97 4.837 -13.873 19.014 1.00 14.10 C ATOM 1504 OE1 GLU A 97 4.153 -13.876 20.057 1.00 23.45 O ATOM 1505 OE2 GLU A 97 5.307 -14.923 18.531 1.00 53.50 O ATOM 0 H GLU A 97 5.531 -10.123 15.377 1.00 50.44 H new ATOM 0 HA GLU A 97 3.059 -10.349 16.412 1.00 13.15 H new ATOM 0 HB2 GLU A 97 3.086 -11.740 18.396 1.00 73.20 H new ATOM 0 HB3 GLU A 97 3.391 -12.728 16.981 1.00 73.20 H new ATOM 0 HG2 GLU A 97 5.856 -12.675 17.542 1.00 54.24 H new ATOM 0 HG3 GLU A 97 5.464 -11.811 19.015 1.00 54.24 H new ATOM 1512 N HIS A 98 6.033 -9.434 17.592 1.00 3.15 N ATOM 1513 CA HIS A 98 6.794 -8.438 18.402 1.00 21.43 C ATOM 1514 C HIS A 98 7.091 -7.138 17.608 1.00 60.44 C ATOM 1515 O HIS A 98 7.254 -6.068 18.203 1.00 72.41 O ATOM 1516 CB HIS A 98 8.130 -9.052 18.893 1.00 63.43 C ATOM 1517 CG HIS A 98 7.977 -10.318 19.690 1.00 63.52 C ATOM 1518 ND1 HIS A 98 7.467 -10.353 20.965 1.00 60.14 N ATOM 1519 CD2 HIS A 98 8.256 -11.597 19.371 1.00 31.22 C ATOM 1520 CE1 HIS A 98 7.437 -11.601 21.393 1.00 35.44 C ATOM 1521 NE2 HIS A 98 7.913 -12.371 20.445 1.00 1.33 N ATOM 0 H HIS A 98 6.623 -10.009 16.990 1.00 3.15 H new ATOM 0 HA HIS A 98 6.166 -8.177 19.254 1.00 21.43 H new ATOM 0 HB2 HIS A 98 8.761 -9.256 18.028 1.00 63.43 H new ATOM 0 HB3 HIS A 98 8.652 -8.314 19.502 1.00 63.43 H new ATOM 0 HD2 HIS A 98 8.674 -11.947 18.438 1.00 31.22 H new ATOM 0 HE1 HIS A 98 7.082 -11.931 22.358 1.00 35.44 H new ATOM 0 HE2 HIS A 98 8.012 -13.385 20.500 1.00 1.33 H new ATOM 1530 N GLY A 99 7.128 -7.233 16.261 1.00 52.02 N ATOM 1531 CA GLY A 99 7.566 -6.115 15.388 1.00 70.34 C ATOM 1532 C GLY A 99 8.777 -6.445 14.511 1.00 74.14 C ATOM 1533 O GLY A 99 9.344 -5.554 13.863 1.00 5.14 O ATOM 0 H GLY A 99 6.859 -8.074 15.751 1.00 52.02 H new ATOM 0 HA2 GLY A 99 6.735 -5.822 14.746 1.00 70.34 H new ATOM 0 HA3 GLY A 99 7.806 -5.254 16.011 1.00 70.34 H new ATOM 1537 N ALA A 100 9.172 -7.729 14.483 1.00 60.11 N ATOM 1538 CA ALA A 100 10.259 -8.227 13.613 1.00 70.43 C ATOM 1539 C ALA A 100 9.667 -8.710 12.269 1.00 52.05 C ATOM 1540 O ALA A 100 8.639 -9.392 12.283 1.00 75.53 O ATOM 1541 CB ALA A 100 11.023 -9.364 14.308 1.00 2.34 C ATOM 0 H ALA A 100 8.748 -8.454 15.062 1.00 60.11 H new ATOM 0 HA ALA A 100 10.962 -7.417 13.419 1.00 70.43 H new ATOM 0 HB1 ALA A 100 11.820 -9.720 13.655 1.00 2.34 H new ATOM 0 HB2 ALA A 100 11.454 -8.997 15.239 1.00 2.34 H new ATOM 0 HB3 ALA A 100 10.338 -10.184 14.524 1.00 2.34 H new ATOM 1547 N PRO A 101 10.288 -8.361 11.092 1.00 44.25 N ATOM 1548 CA PRO A 101 9.788 -8.801 9.759 1.00 34.43 C ATOM 1549 C PRO A 101 9.682 -10.347 9.638 1.00 44.14 C ATOM 1550 O PRO A 101 10.601 -11.076 10.039 1.00 73.41 O ATOM 1551 CB PRO A 101 10.838 -8.222 8.758 1.00 3.21 C ATOM 1552 CG PRO A 101 12.044 -7.900 9.596 1.00 51.11 C ATOM 1553 CD PRO A 101 11.506 -7.514 10.959 1.00 32.01 C ATOM 0 HA PRO A 101 8.775 -8.447 9.569 1.00 34.43 H new ATOM 0 HB2 PRO A 101 11.081 -8.945 7.980 1.00 3.21 H new ATOM 0 HB3 PRO A 101 10.457 -7.332 8.258 1.00 3.21 H new ATOM 0 HG2 PRO A 101 12.711 -8.759 9.668 1.00 51.11 H new ATOM 0 HG3 PRO A 101 12.619 -7.085 9.157 1.00 51.11 H new ATOM 0 HD2 PRO A 101 12.228 -7.718 11.750 1.00 32.01 H new ATOM 0 HD3 PRO A 101 11.267 -6.452 11.012 1.00 32.01 H new ATOM 1561 N VAL A 102 8.543 -10.830 9.107 1.00 41.40 N ATOM 1562 CA VAL A 102 8.331 -12.267 8.824 1.00 10.02 C ATOM 1563 C VAL A 102 9.364 -12.769 7.779 1.00 72.41 C ATOM 1564 O VAL A 102 9.581 -12.135 6.746 1.00 12.25 O ATOM 1565 CB VAL A 102 6.855 -12.540 8.345 1.00 33.44 C ATOM 1566 CG1 VAL A 102 6.664 -14.001 7.849 1.00 61.41 C ATOM 1567 CG2 VAL A 102 5.843 -12.222 9.472 1.00 42.44 C ATOM 0 H VAL A 102 7.747 -10.241 8.862 1.00 41.40 H new ATOM 0 HA VAL A 102 8.482 -12.825 9.748 1.00 10.02 H new ATOM 0 HB VAL A 102 6.666 -11.876 7.501 1.00 33.44 H new ATOM 0 HG11 VAL A 102 5.632 -14.144 7.529 1.00 61.41 H new ATOM 0 HG12 VAL A 102 7.334 -14.191 7.011 1.00 61.41 H new ATOM 0 HG13 VAL A 102 6.892 -14.693 8.660 1.00 61.41 H new ATOM 0 HG21 VAL A 102 4.831 -12.418 9.118 1.00 42.44 H new ATOM 0 HG22 VAL A 102 6.053 -12.850 10.337 1.00 42.44 H new ATOM 0 HG23 VAL A 102 5.932 -11.173 9.755 1.00 42.44 H new ATOM 1577 N ASP A 103 9.975 -13.918 8.078 1.00 25.41 N ATOM 1578 CA ASP A 103 11.143 -14.456 7.346 1.00 4.44 C ATOM 1579 C ASP A 103 10.718 -15.090 6.002 1.00 65.35 C ATOM 1580 O ASP A 103 11.345 -14.862 4.962 1.00 41.14 O ATOM 1581 CB ASP A 103 11.830 -15.489 8.263 1.00 33.04 C ATOM 1582 CG ASP A 103 13.143 -16.067 7.710 1.00 74.44 C ATOM 1583 OD1 ASP A 103 13.103 -17.062 6.957 1.00 61.44 O ATOM 1584 OD2 ASP A 103 14.223 -15.546 8.054 1.00 60.33 O ATOM 0 H ASP A 103 9.673 -14.517 8.847 1.00 25.41 H new ATOM 0 HA ASP A 103 11.837 -13.653 7.100 1.00 4.44 H new ATOM 0 HB2 ASP A 103 12.032 -15.021 9.227 1.00 33.04 H new ATOM 0 HB3 ASP A 103 11.136 -16.310 8.446 1.00 33.04 H new ATOM 1589 N GLU A 104 9.655 -15.898 6.066 1.00 25.43 N ATOM 1590 CA GLU A 104 9.058 -16.552 4.886 1.00 42.33 C ATOM 1591 C GLU A 104 8.430 -15.514 3.914 1.00 23.30 C ATOM 1592 O GLU A 104 8.778 -15.461 2.726 1.00 51.43 O ATOM 1593 CB GLU A 104 7.970 -17.554 5.346 1.00 51.30 C ATOM 1594 CG GLU A 104 7.199 -18.219 4.187 1.00 41.35 C ATOM 1595 CD GLU A 104 5.932 -18.938 4.648 1.00 21.24 C ATOM 1596 OE1 GLU A 104 4.964 -18.238 5.026 1.00 72.30 O ATOM 1597 OE2 GLU A 104 5.868 -20.188 4.612 1.00 35.24 O ATOM 0 H GLU A 104 9.179 -16.121 6.940 1.00 25.43 H new ATOM 0 HA GLU A 104 9.851 -17.077 4.353 1.00 42.33 H new ATOM 0 HB2 GLU A 104 8.438 -18.331 5.950 1.00 51.30 H new ATOM 0 HB3 GLU A 104 7.260 -17.034 5.990 1.00 51.30 H new ATOM 0 HG2 GLU A 104 6.932 -17.459 3.452 1.00 41.35 H new ATOM 0 HG3 GLU A 104 7.853 -18.932 3.685 1.00 41.35 H new ATOM 1604 N LEU A 105 7.490 -14.709 4.445 1.00 15.12 N ATOM 1605 CA LEU A 105 6.760 -13.683 3.660 1.00 14.52 C ATOM 1606 C LEU A 105 7.680 -12.506 3.248 1.00 12.40 C ATOM 1607 O LEU A 105 7.299 -11.709 2.393 1.00 24.43 O ATOM 1608 CB LEU A 105 5.538 -13.158 4.463 1.00 64.32 C ATOM 1609 CG LEU A 105 4.467 -14.230 4.865 1.00 70.11 C ATOM 1610 CD1 LEU A 105 3.286 -13.585 5.630 1.00 73.11 C ATOM 1611 CD2 LEU A 105 3.974 -15.023 3.630 1.00 23.03 C ATOM 0 H LEU A 105 7.213 -14.747 5.426 1.00 15.12 H new ATOM 0 HA LEU A 105 6.409 -14.159 2.745 1.00 14.52 H new ATOM 0 HB2 LEU A 105 5.904 -12.680 5.372 1.00 64.32 H new ATOM 0 HB3 LEU A 105 5.046 -12.385 3.873 1.00 64.32 H new ATOM 0 HG LEU A 105 4.947 -14.939 5.540 1.00 70.11 H new ATOM 0 HD11 LEU A 105 2.560 -14.354 5.895 1.00 73.11 H new ATOM 0 HD12 LEU A 105 3.657 -13.109 6.537 1.00 73.11 H new ATOM 0 HD13 LEU A 105 2.808 -12.837 4.997 1.00 73.11 H new ATOM 0 HD21 LEU A 105 3.232 -15.758 3.942 1.00 23.03 H new ATOM 0 HD22 LEU A 105 3.525 -14.336 2.912 1.00 23.03 H new ATOM 0 HD23 LEU A 105 4.817 -15.533 3.165 1.00 23.03 H new ATOM 1623 N GLY A 106 8.850 -12.387 3.919 1.00 62.25 N ATOM 1624 CA GLY A 106 9.941 -11.495 3.489 1.00 75.05 C ATOM 1625 C GLY A 106 9.622 -9.992 3.545 1.00 4.04 C ATOM 1626 O GLY A 106 8.783 -9.546 4.334 1.00 62.00 O ATOM 0 H GLY A 106 9.059 -12.907 4.771 1.00 62.25 H new ATOM 0 HA2 GLY A 106 10.813 -11.688 4.114 1.00 75.05 H new ATOM 0 HA3 GLY A 106 10.217 -11.753 2.467 1.00 75.05 H new ATOM 1630 N VAL A 107 10.339 -9.219 2.707 1.00 62.33 N ATOM 1631 CA VAL A 107 10.177 -7.750 2.567 1.00 31.41 C ATOM 1632 C VAL A 107 9.740 -7.408 1.124 1.00 72.34 C ATOM 1633 O VAL A 107 10.273 -7.978 0.162 1.00 34.23 O ATOM 1634 CB VAL A 107 11.532 -7.009 2.903 1.00 32.03 C ATOM 1635 CG1 VAL A 107 11.411 -5.470 2.720 1.00 73.41 C ATOM 1636 CG2 VAL A 107 12.016 -7.358 4.337 1.00 1.20 C ATOM 0 H VAL A 107 11.061 -9.600 2.095 1.00 62.33 H new ATOM 0 HA VAL A 107 9.412 -7.415 3.268 1.00 31.41 H new ATOM 0 HB VAL A 107 12.279 -7.364 2.193 1.00 32.03 H new ATOM 0 HG11 VAL A 107 12.364 -4.999 2.961 1.00 73.41 H new ATOM 0 HG12 VAL A 107 11.147 -5.246 1.686 1.00 73.41 H new ATOM 0 HG13 VAL A 107 10.637 -5.084 3.384 1.00 73.41 H new ATOM 0 HG21 VAL A 107 12.950 -6.835 4.543 1.00 1.20 H new ATOM 0 HG22 VAL A 107 11.261 -7.051 5.061 1.00 1.20 H new ATOM 0 HG23 VAL A 107 12.177 -8.433 4.415 1.00 1.20 H new ATOM 1646 N THR A 108 8.772 -6.485 0.971 1.00 2.55 N ATOM 1647 CA THR A 108 8.321 -6.010 -0.360 1.00 21.14 C ATOM 1648 C THR A 108 8.282 -4.463 -0.419 1.00 0.32 C ATOM 1649 O THR A 108 7.527 -3.806 0.303 1.00 21.04 O ATOM 1650 CB THR A 108 6.946 -6.636 -0.781 1.00 74.53 C ATOM 1651 OG1 THR A 108 6.570 -6.162 -2.083 1.00 72.45 O ATOM 1652 CG2 THR A 108 5.804 -6.365 0.224 1.00 41.53 C ATOM 0 H THR A 108 8.283 -6.049 1.753 1.00 2.55 H new ATOM 0 HA THR A 108 9.057 -6.354 -1.087 1.00 21.14 H new ATOM 0 HB THR A 108 7.094 -7.716 -0.795 1.00 74.53 H new ATOM 0 HG1 THR A 108 6.154 -6.891 -2.589 1.00 72.45 H new ATOM 0 HG21 THR A 108 4.885 -6.829 -0.135 1.00 41.53 H new ATOM 0 HG22 THR A 108 6.067 -6.785 1.195 1.00 41.53 H new ATOM 0 HG23 THR A 108 5.653 -5.290 0.322 1.00 41.53 H new ATOM 1660 N HIS A 109 9.133 -3.889 -1.282 1.00 15.05 N ATOM 1661 CA HIS A 109 9.266 -2.432 -1.450 1.00 5.41 C ATOM 1662 C HIS A 109 8.127 -1.875 -2.344 1.00 61.10 C ATOM 1663 O HIS A 109 8.196 -1.949 -3.572 1.00 64.35 O ATOM 1664 CB HIS A 109 10.663 -2.111 -2.042 1.00 1.25 C ATOM 1665 CG HIS A 109 10.963 -0.643 -2.213 1.00 44.35 C ATOM 1666 ND1 HIS A 109 11.599 0.101 -1.257 1.00 74.32 N ATOM 1667 CD2 HIS A 109 10.729 0.214 -3.241 1.00 71.11 C ATOM 1668 CE1 HIS A 109 11.737 1.336 -1.679 1.00 62.53 C ATOM 1669 NE2 HIS A 109 11.220 1.431 -2.874 1.00 61.43 N ATOM 0 H HIS A 109 9.753 -4.426 -1.888 1.00 15.05 H new ATOM 0 HA HIS A 109 9.178 -1.945 -0.479 1.00 5.41 H new ATOM 0 HB2 HIS A 109 11.424 -2.549 -1.396 1.00 1.25 H new ATOM 0 HB3 HIS A 109 10.750 -2.599 -3.013 1.00 1.25 H new ATOM 0 HD2 HIS A 109 10.244 -0.025 -4.176 1.00 71.11 H new ATOM 0 HE1 HIS A 109 12.202 2.141 -1.129 1.00 62.53 H new ATOM 0 HE2 HIS A 109 11.189 2.278 -3.441 1.00 61.43 H new ATOM 1678 N ALA A 110 7.088 -1.305 -1.706 1.00 20.15 N ATOM 1679 CA ALA A 110 5.898 -0.771 -2.402 1.00 72.43 C ATOM 1680 C ALA A 110 6.099 0.720 -2.770 1.00 24.40 C ATOM 1681 O ALA A 110 6.393 1.554 -1.906 1.00 53.42 O ATOM 1682 CB ALA A 110 4.650 -0.971 -1.532 1.00 12.01 C ATOM 0 H ALA A 110 7.048 -1.201 -0.692 1.00 20.15 H new ATOM 0 HA ALA A 110 5.757 -1.319 -3.333 1.00 72.43 H new ATOM 0 HB1 ALA A 110 3.777 -0.575 -2.051 1.00 12.01 H new ATOM 0 HB2 ALA A 110 4.507 -2.034 -1.340 1.00 12.01 H new ATOM 0 HB3 ALA A 110 4.778 -0.446 -0.586 1.00 12.01 H new ATOM 1688 N THR A 111 5.919 1.038 -4.064 1.00 12.45 N ATOM 1689 CA THR A 111 6.213 2.374 -4.639 1.00 23.24 C ATOM 1690 C THR A 111 4.928 3.024 -5.200 1.00 54.20 C ATOM 1691 O THR A 111 4.394 2.582 -6.216 1.00 30.32 O ATOM 1692 CB THR A 111 7.291 2.260 -5.776 1.00 55.13 C ATOM 1693 OG1 THR A 111 8.509 1.714 -5.237 1.00 73.13 O ATOM 1694 CG2 THR A 111 7.595 3.613 -6.439 1.00 25.41 C ATOM 0 H THR A 111 5.563 0.373 -4.751 1.00 12.45 H new ATOM 0 HA THR A 111 6.605 3.004 -3.841 1.00 23.24 H new ATOM 0 HB THR A 111 6.880 1.602 -6.542 1.00 55.13 H new ATOM 0 HG1 THR A 111 9.179 1.643 -5.949 1.00 73.13 H new ATOM 0 HG21 THR A 111 8.346 3.476 -7.217 1.00 25.41 H new ATOM 0 HG22 THR A 111 6.683 4.014 -6.881 1.00 25.41 H new ATOM 0 HG23 THR A 111 7.972 4.309 -5.689 1.00 25.41 H new ATOM 1702 N VAL A 112 4.457 4.090 -4.545 1.00 55.01 N ATOM 1703 CA VAL A 112 3.209 4.797 -4.916 1.00 43.50 C ATOM 1704 C VAL A 112 3.527 6.040 -5.778 1.00 1.34 C ATOM 1705 O VAL A 112 4.227 6.949 -5.333 1.00 61.23 O ATOM 1706 CB VAL A 112 2.414 5.233 -3.631 1.00 11.15 C ATOM 1707 CG1 VAL A 112 1.078 5.937 -4.001 1.00 1.32 C ATOM 1708 CG2 VAL A 112 2.179 4.020 -2.695 1.00 23.11 C ATOM 0 H VAL A 112 4.928 4.496 -3.736 1.00 55.01 H new ATOM 0 HA VAL A 112 2.592 4.110 -5.496 1.00 43.50 H new ATOM 0 HB VAL A 112 3.020 5.960 -3.090 1.00 11.15 H new ATOM 0 HG11 VAL A 112 0.554 6.225 -3.090 1.00 1.32 H new ATOM 0 HG12 VAL A 112 1.288 6.826 -4.595 1.00 1.32 H new ATOM 0 HG13 VAL A 112 0.454 5.254 -4.578 1.00 1.32 H new ATOM 0 HG21 VAL A 112 1.627 4.343 -1.812 1.00 23.11 H new ATOM 0 HG22 VAL A 112 1.605 3.259 -3.223 1.00 23.11 H new ATOM 0 HG23 VAL A 112 3.139 3.604 -2.391 1.00 23.11 H new ATOM 1718 N LYS A 113 3.012 6.070 -7.017 1.00 62.10 N ATOM 1719 CA LYS A 113 3.232 7.192 -7.960 1.00 40.14 C ATOM 1720 C LYS A 113 1.883 7.785 -8.430 1.00 74.14 C ATOM 1721 O LYS A 113 1.105 7.118 -9.121 1.00 4.32 O ATOM 1722 CB LYS A 113 4.072 6.688 -9.168 1.00 71.32 C ATOM 1723 CG LYS A 113 5.517 6.214 -8.800 1.00 73.15 C ATOM 1724 CD LYS A 113 5.911 4.840 -9.407 1.00 13.35 C ATOM 1725 CE LYS A 113 6.204 4.858 -10.923 1.00 24.45 C ATOM 1726 NZ LYS A 113 5.017 5.157 -11.757 1.00 71.55 N ATOM 0 H LYS A 113 2.432 5.322 -7.398 1.00 62.10 H new ATOM 0 HA LYS A 113 3.780 7.987 -7.454 1.00 40.14 H new ATOM 0 HB2 LYS A 113 3.542 5.862 -9.644 1.00 71.32 H new ATOM 0 HB3 LYS A 113 4.142 7.488 -9.905 1.00 71.32 H new ATOM 0 HG2 LYS A 113 6.231 6.966 -9.138 1.00 73.15 H new ATOM 0 HG3 LYS A 113 5.603 6.157 -7.715 1.00 73.15 H new ATOM 0 HD2 LYS A 113 6.793 4.469 -8.886 1.00 13.35 H new ATOM 0 HD3 LYS A 113 5.106 4.131 -9.216 1.00 13.35 H new ATOM 0 HE2 LYS A 113 6.976 5.601 -11.126 1.00 24.45 H new ATOM 0 HE3 LYS A 113 6.609 3.890 -11.217 1.00 24.45 H new ATOM 0 HZ1 LYS A 113 5.210 4.891 -12.744 1.00 71.55 H new ATOM 0 HZ2 LYS A 113 4.201 4.616 -11.406 1.00 71.55 H new ATOM 0 HZ3 LYS A 113 4.805 6.174 -11.707 1.00 71.55 H new ATOM 1740 N LEU A 114 1.624 9.041 -8.026 1.00 32.12 N ATOM 1741 CA LEU A 114 0.418 9.796 -8.416 1.00 42.42 C ATOM 1742 C LEU A 114 0.679 10.614 -9.692 1.00 33.32 C ATOM 1743 O LEU A 114 1.747 11.215 -9.846 1.00 22.40 O ATOM 1744 CB LEU A 114 -0.004 10.729 -7.262 1.00 2.24 C ATOM 1745 CG LEU A 114 -0.361 10.017 -5.923 1.00 54.40 C ATOM 1746 CD1 LEU A 114 -0.654 11.032 -4.814 1.00 73.35 C ATOM 1747 CD2 LEU A 114 -1.548 9.058 -6.102 1.00 51.01 C ATOM 0 H LEU A 114 2.250 9.566 -7.415 1.00 32.12 H new ATOM 0 HA LEU A 114 -0.387 9.091 -8.622 1.00 42.42 H new ATOM 0 HB2 LEU A 114 0.805 11.435 -7.074 1.00 2.24 H new ATOM 0 HB3 LEU A 114 -0.867 11.311 -7.585 1.00 2.24 H new ATOM 0 HG LEU A 114 0.508 9.431 -5.625 1.00 54.40 H new ATOM 0 HD11 LEU A 114 -0.900 10.504 -3.893 1.00 73.35 H new ATOM 0 HD12 LEU A 114 0.224 11.656 -4.651 1.00 73.35 H new ATOM 0 HD13 LEU A 114 -1.496 11.659 -5.108 1.00 73.35 H new ATOM 0 HD21 LEU A 114 -1.773 8.576 -5.151 1.00 51.01 H new ATOM 0 HD22 LEU A 114 -2.420 9.618 -6.441 1.00 51.01 H new ATOM 0 HD23 LEU A 114 -1.294 8.299 -6.842 1.00 51.01 H new ATOM 1759 N GLU A 115 -0.301 10.620 -10.610 1.00 34.44 N ATOM 1760 CA GLU A 115 -0.195 11.321 -11.911 1.00 65.14 C ATOM 1761 C GLU A 115 -1.345 12.346 -12.087 1.00 71.45 C ATOM 1762 O GLU A 115 -2.519 11.957 -12.046 1.00 75.55 O ATOM 1763 CB GLU A 115 -0.183 10.275 -13.056 1.00 4.44 C ATOM 1764 CG GLU A 115 1.004 9.301 -12.959 1.00 32.45 C ATOM 1765 CD GLU A 115 1.017 8.232 -14.051 1.00 30.40 C ATOM 1766 OE1 GLU A 115 1.535 8.502 -15.151 1.00 52.45 O ATOM 1767 OE2 GLU A 115 0.518 7.117 -13.814 1.00 13.12 O ATOM 0 H GLU A 115 -1.191 10.141 -10.476 1.00 34.44 H new ATOM 0 HA GLU A 115 0.738 11.884 -11.941 1.00 65.14 H new ATOM 0 HB2 GLU A 115 -1.114 9.709 -13.035 1.00 4.44 H new ATOM 0 HB3 GLU A 115 -0.146 10.792 -14.015 1.00 4.44 H new ATOM 0 HG2 GLU A 115 1.933 9.869 -13.009 1.00 32.45 H new ATOM 0 HG3 GLU A 115 0.982 8.812 -11.985 1.00 32.45 H new ATOM 1774 N PRO A 116 -1.018 13.678 -12.260 1.00 40.30 N ATOM 1775 CA PRO A 116 -2.035 14.753 -12.410 1.00 74.02 C ATOM 1776 C PRO A 116 -2.845 14.664 -13.731 1.00 74.14 C ATOM 1777 O PRO A 116 -2.313 14.886 -14.826 1.00 51.21 O ATOM 1778 CB PRO A 116 -1.196 16.063 -12.333 1.00 45.42 C ATOM 1779 CG PRO A 116 0.198 15.669 -12.725 1.00 31.42 C ATOM 1780 CD PRO A 116 0.372 14.224 -12.301 1.00 34.52 C ATOM 0 HA PRO A 116 -2.804 14.686 -11.641 1.00 74.02 H new ATOM 0 HB2 PRO A 116 -1.593 16.823 -13.006 1.00 45.42 H new ATOM 0 HB3 PRO A 116 -1.217 16.484 -11.328 1.00 45.42 H new ATOM 0 HG2 PRO A 116 0.344 15.778 -13.800 1.00 31.42 H new ATOM 0 HG3 PRO A 116 0.934 16.308 -12.236 1.00 31.42 H new ATOM 0 HD2 PRO A 116 0.994 13.675 -13.008 1.00 34.52 H new ATOM 0 HD3 PRO A 116 0.856 14.151 -11.327 1.00 34.52 H new ATOM 1788 N LEU A 117 -4.143 14.318 -13.603 1.00 32.10 N ATOM 1789 CA LEU A 117 -5.088 14.249 -14.748 1.00 12.22 C ATOM 1790 C LEU A 117 -6.166 15.364 -14.636 1.00 34.53 C ATOM 1791 O LEU A 117 -7.258 15.238 -15.202 1.00 34.52 O ATOM 1792 CB LEU A 117 -5.759 12.839 -14.800 1.00 52.10 C ATOM 1793 CG LEU A 117 -4.823 11.596 -14.606 1.00 63.21 C ATOM 1794 CD1 LEU A 117 -5.626 10.274 -14.640 1.00 20.51 C ATOM 1795 CD2 LEU A 117 -3.672 11.580 -15.633 1.00 3.15 C ATOM 0 H LEU A 117 -4.569 14.078 -12.708 1.00 32.10 H new ATOM 0 HA LEU A 117 -4.532 14.408 -15.672 1.00 12.22 H new ATOM 0 HB2 LEU A 117 -6.532 12.804 -14.032 1.00 52.10 H new ATOM 0 HB3 LEU A 117 -6.261 12.738 -15.762 1.00 52.10 H new ATOM 0 HG LEU A 117 -4.372 11.684 -13.617 1.00 63.21 H new ATOM 0 HD11 LEU A 117 -4.947 9.432 -14.503 1.00 20.51 H new ATOM 0 HD12 LEU A 117 -6.366 10.277 -13.840 1.00 20.51 H new ATOM 0 HD13 LEU A 117 -6.131 10.180 -15.601 1.00 20.51 H new ATOM 0 HD21 LEU A 117 -3.046 10.703 -15.465 1.00 3.15 H new ATOM 0 HD22 LEU A 117 -4.085 11.543 -16.641 1.00 3.15 H new ATOM 0 HD23 LEU A 117 -3.071 12.482 -15.520 1.00 3.15 H new ATOM 1807 N GLU A 118 -5.824 16.450 -13.903 1.00 73.32 N ATOM 1808 CA GLU A 118 -6.700 17.621 -13.641 1.00 2.42 C ATOM 1809 C GLU A 118 -7.887 17.270 -12.695 1.00 40.52 C ATOM 1810 O GLU A 118 -7.799 17.452 -11.474 1.00 1.14 O ATOM 1811 CB GLU A 118 -7.203 18.279 -14.960 1.00 51.13 C ATOM 1812 CG GLU A 118 -7.980 19.592 -14.747 1.00 14.24 C ATOM 1813 CD GLU A 118 -8.576 20.183 -16.036 1.00 62.15 C ATOM 1814 OE1 GLU A 118 -9.726 19.841 -16.388 1.00 61.32 O ATOM 1815 OE2 GLU A 118 -7.901 21.001 -16.701 1.00 41.55 O ATOM 0 H GLU A 118 -4.907 16.540 -13.465 1.00 73.32 H new ATOM 0 HA GLU A 118 -6.084 18.356 -13.123 1.00 2.42 H new ATOM 0 HB2 GLU A 118 -6.347 18.476 -15.606 1.00 51.13 H new ATOM 0 HB3 GLU A 118 -7.843 17.571 -15.486 1.00 51.13 H new ATOM 0 HG2 GLU A 118 -8.786 19.414 -14.035 1.00 14.24 H new ATOM 0 HG3 GLU A 118 -7.313 20.328 -14.297 1.00 14.24 H new ATOM 1822 N ASN A 119 -8.990 16.746 -13.273 1.00 63.04 N ATOM 1823 CA ASN A 119 -10.208 16.369 -12.521 1.00 13.31 C ATOM 1824 C ASN A 119 -10.108 14.913 -12.005 1.00 41.50 C ATOM 1825 O ASN A 119 -10.978 14.441 -11.271 1.00 42.45 O ATOM 1826 CB ASN A 119 -11.452 16.560 -13.430 1.00 33.34 C ATOM 1827 CG ASN A 119 -11.594 18.003 -13.926 1.00 31.14 C ATOM 1828 OD1 ASN A 119 -11.264 18.952 -13.222 1.00 23.13 O ATOM 1829 ND2 ASN A 119 -12.061 18.181 -15.143 1.00 44.24 N ATOM 0 H ASN A 119 -9.061 16.572 -14.276 1.00 63.04 H new ATOM 0 HA ASN A 119 -10.307 17.015 -11.649 1.00 13.31 H new ATOM 0 HB2 ASN A 119 -11.380 15.889 -14.286 1.00 33.34 H new ATOM 0 HB3 ASN A 119 -12.349 16.278 -12.879 1.00 33.34 H new ATOM 0 HD21 ASN A 119 -12.155 19.124 -15.520 1.00 44.24 H new ATOM 0 HD22 ASN A 119 -12.329 17.376 -15.709 1.00 44.24 H new ATOM 1836 N ARG A 120 -9.036 14.210 -12.420 1.00 70.42 N ATOM 1837 CA ARG A 120 -8.696 12.855 -11.929 1.00 61.14 C ATOM 1838 C ARG A 120 -7.218 12.808 -11.475 1.00 63.31 C ATOM 1839 O ARG A 120 -6.459 13.767 -11.656 1.00 41.14 O ATOM 1840 CB ARG A 120 -8.928 11.789 -13.039 1.00 73.32 C ATOM 1841 CG ARG A 120 -10.401 11.567 -13.454 1.00 75.55 C ATOM 1842 CD ARG A 120 -10.510 10.649 -14.685 1.00 3.11 C ATOM 1843 NE ARG A 120 -9.839 11.245 -15.863 1.00 55.51 N ATOM 1844 CZ ARG A 120 -9.158 10.596 -16.775 1.00 25.13 C ATOM 1845 NH1 ARG A 120 -9.015 9.315 -16.734 1.00 44.23 N ATOM 1846 NH2 ARG A 120 -8.607 11.250 -17.738 1.00 61.35 N ATOM 0 H ARG A 120 -8.375 14.567 -13.110 1.00 70.42 H new ATOM 0 HA ARG A 120 -9.345 12.630 -11.083 1.00 61.14 H new ATOM 0 HB2 ARG A 120 -8.360 12.081 -13.923 1.00 73.32 H new ATOM 0 HB3 ARG A 120 -8.518 10.839 -12.697 1.00 73.32 H new ATOM 0 HG2 ARG A 120 -10.952 11.128 -12.622 1.00 75.55 H new ATOM 0 HG3 ARG A 120 -10.867 12.528 -13.673 1.00 75.55 H new ATOM 0 HD2 ARG A 120 -10.062 9.681 -14.460 1.00 3.11 H new ATOM 0 HD3 ARG A 120 -11.560 10.469 -14.915 1.00 3.11 H new ATOM 0 HE ARG A 120 -9.914 12.256 -15.975 1.00 55.51 H new ATOM 0 HH11 ARG A 120 -9.438 8.779 -15.977 1.00 44.23 H new ATOM 0 HH12 ARG A 120 -8.479 8.838 -17.459 1.00 44.23 H new ATOM 0 HH21 ARG A 120 -8.703 12.264 -17.786 1.00 61.35 H new ATOM 0 HH22 ARG A 120 -8.075 10.754 -18.453 1.00 61.35 H new ATOM 1860 N THR A 121 -6.835 11.681 -10.867 1.00 31.33 N ATOM 1861 CA THR A 121 -5.429 11.363 -10.529 1.00 0.24 C ATOM 1862 C THR A 121 -5.233 9.836 -10.608 1.00 15.33 C ATOM 1863 O THR A 121 -6.097 9.077 -10.159 1.00 50.12 O ATOM 1864 CB THR A 121 -5.033 11.878 -9.099 1.00 12.32 C ATOM 1865 OG1 THR A 121 -5.154 13.309 -9.049 1.00 12.12 O ATOM 1866 CG2 THR A 121 -3.594 11.486 -8.694 1.00 51.20 C ATOM 0 H THR A 121 -7.492 10.952 -10.590 1.00 31.33 H new ATOM 0 HA THR A 121 -4.782 11.871 -11.244 1.00 0.24 H new ATOM 0 HB THR A 121 -5.716 11.402 -8.395 1.00 12.32 H new ATOM 0 HG1 THR A 121 -5.447 13.643 -9.923 1.00 12.12 H new ATOM 0 HG21 THR A 121 -3.379 11.870 -7.697 1.00 51.20 H new ATOM 0 HG22 THR A 121 -3.499 10.400 -8.693 1.00 51.20 H new ATOM 0 HG23 THR A 121 -2.887 11.911 -9.406 1.00 51.20 H new ATOM 1874 N ARG A 122 -4.096 9.388 -11.168 1.00 12.11 N ATOM 1875 CA ARG A 122 -3.792 7.956 -11.321 1.00 74.23 C ATOM 1876 C ARG A 122 -2.751 7.509 -10.269 1.00 74.24 C ATOM 1877 O ARG A 122 -1.608 7.965 -10.285 1.00 32.20 O ATOM 1878 CB ARG A 122 -3.284 7.676 -12.760 1.00 61.34 C ATOM 1879 CG ARG A 122 -2.899 6.205 -13.023 1.00 72.30 C ATOM 1880 CD ARG A 122 -2.503 5.937 -14.486 1.00 11.41 C ATOM 1881 NE ARG A 122 -3.652 5.988 -15.410 1.00 55.23 N ATOM 1882 CZ ARG A 122 -3.578 5.860 -16.718 1.00 0.33 C ATOM 1883 NH1 ARG A 122 -2.437 5.738 -17.323 1.00 62.23 N ATOM 1884 NH2 ARG A 122 -4.657 5.855 -17.422 1.00 74.41 N ATOM 0 H ARG A 122 -3.366 10.005 -11.525 1.00 12.11 H new ATOM 0 HA ARG A 122 -4.702 7.379 -11.157 1.00 74.23 H new ATOM 0 HB2 ARG A 122 -4.058 7.969 -13.469 1.00 61.34 H new ATOM 0 HB3 ARG A 122 -2.417 8.307 -12.956 1.00 61.34 H new ATOM 0 HG2 ARG A 122 -2.069 5.931 -12.372 1.00 72.30 H new ATOM 0 HG3 ARG A 122 -3.738 5.563 -12.757 1.00 72.30 H new ATOM 0 HD2 ARG A 122 -1.760 6.672 -14.797 1.00 11.41 H new ATOM 0 HD3 ARG A 122 -2.030 4.957 -14.556 1.00 11.41 H new ATOM 0 HE ARG A 122 -4.576 6.134 -15.003 1.00 55.23 H new ATOM 0 HH11 ARG A 122 -1.571 5.740 -16.784 1.00 62.23 H new ATOM 0 HH12 ARG A 122 -2.406 5.640 -18.338 1.00 62.23 H new ATOM 0 HH21 ARG A 122 -5.564 5.950 -16.966 1.00 74.41 H new ATOM 0 HH22 ARG A 122 -4.604 5.756 -18.436 1.00 74.41 H new ATOM 1898 N MET A 123 -3.175 6.617 -9.356 1.00 50.51 N ATOM 1899 CA MET A 123 -2.312 6.033 -8.310 1.00 71.43 C ATOM 1900 C MET A 123 -1.804 4.647 -8.761 1.00 35.03 C ATOM 1901 O MET A 123 -2.584 3.693 -8.832 1.00 1.23 O ATOM 1902 CB MET A 123 -3.101 5.889 -6.981 1.00 24.03 C ATOM 1903 CG MET A 123 -2.256 5.387 -5.794 1.00 14.42 C ATOM 1904 SD MET A 123 -3.233 5.061 -4.313 1.00 70.12 S ATOM 1905 CE MET A 123 -4.246 3.694 -4.869 1.00 42.01 C ATOM 0 H MET A 123 -4.136 6.277 -9.322 1.00 50.51 H new ATOM 0 HA MET A 123 -1.462 6.696 -8.149 1.00 71.43 H new ATOM 0 HB2 MET A 123 -3.533 6.856 -6.722 1.00 24.03 H new ATOM 0 HB3 MET A 123 -3.932 5.201 -7.138 1.00 24.03 H new ATOM 0 HG2 MET A 123 -1.736 4.475 -6.087 1.00 14.42 H new ATOM 0 HG3 MET A 123 -1.492 6.128 -5.561 1.00 14.42 H new ATOM 0 HE1 MET A 123 -5.296 3.983 -4.838 1.00 42.01 H new ATOM 0 HE2 MET A 123 -3.973 3.431 -5.891 1.00 42.01 H new ATOM 0 HE3 MET A 123 -4.087 2.835 -4.218 1.00 42.01 H new ATOM 1915 N THR A 124 -0.504 4.540 -9.071 1.00 70.22 N ATOM 1916 CA THR A 124 0.116 3.253 -9.464 1.00 41.02 C ATOM 1917 C THR A 124 1.105 2.782 -8.377 1.00 32.45 C ATOM 1918 O THR A 124 2.129 3.429 -8.142 1.00 31.54 O ATOM 1919 CB THR A 124 0.844 3.369 -10.845 1.00 23.43 C ATOM 1920 OG1 THR A 124 -0.050 3.953 -11.818 1.00 40.44 O ATOM 1921 CG2 THR A 124 1.315 1.990 -11.367 1.00 43.14 C ATOM 0 H THR A 124 0.145 5.327 -9.059 1.00 70.22 H new ATOM 0 HA THR A 124 -0.680 2.515 -9.565 1.00 41.02 H new ATOM 0 HB THR A 124 1.721 4.000 -10.700 1.00 23.43 H new ATOM 0 HG1 THR A 124 0.408 4.026 -12.681 1.00 40.44 H new ATOM 0 HG21 THR A 124 1.815 2.116 -12.327 1.00 43.14 H new ATOM 0 HG22 THR A 124 2.009 1.548 -10.652 1.00 43.14 H new ATOM 0 HG23 THR A 124 0.453 1.334 -11.490 1.00 43.14 H new ATOM 1929 N ILE A 125 0.777 1.660 -7.703 1.00 54.11 N ATOM 1930 CA ILE A 125 1.587 1.107 -6.591 1.00 53.12 C ATOM 1931 C ILE A 125 2.337 -0.167 -7.053 1.00 52.13 C ATOM 1932 O ILE A 125 1.699 -1.170 -7.382 1.00 42.53 O ATOM 1933 CB ILE A 125 0.686 0.753 -5.349 1.00 3.43 C ATOM 1934 CG1 ILE A 125 -0.266 1.939 -4.986 1.00 32.14 C ATOM 1935 CG2 ILE A 125 1.575 0.359 -4.131 1.00 64.13 C ATOM 1936 CD1 ILE A 125 -1.295 1.616 -3.912 1.00 73.10 C ATOM 0 H ILE A 125 -0.056 1.110 -7.912 1.00 54.11 H new ATOM 0 HA ILE A 125 2.306 1.872 -6.297 1.00 53.12 H new ATOM 0 HB ILE A 125 0.062 -0.101 -5.612 1.00 3.43 H new ATOM 0 HG12 ILE A 125 0.337 2.783 -4.651 1.00 32.14 H new ATOM 0 HG13 ILE A 125 -0.789 2.258 -5.888 1.00 32.14 H new ATOM 0 HG21 ILE A 125 0.939 0.117 -3.280 1.00 64.13 H new ATOM 0 HG22 ILE A 125 2.182 -0.509 -4.389 1.00 64.13 H new ATOM 0 HG23 ILE A 125 2.227 1.193 -3.871 1.00 64.13 H new ATOM 0 HD11 ILE A 125 -1.912 2.495 -3.723 1.00 73.10 H new ATOM 0 HD12 ILE A 125 -1.927 0.794 -4.249 1.00 73.10 H new ATOM 0 HD13 ILE A 125 -0.784 1.328 -2.993 1.00 73.10 H new ATOM 1948 N ILE A 126 3.686 -0.123 -7.074 1.00 10.24 N ATOM 1949 CA ILE A 126 4.530 -1.238 -7.558 1.00 70.41 C ATOM 1950 C ILE A 126 5.356 -1.831 -6.382 1.00 53.51 C ATOM 1951 O ILE A 126 6.273 -1.189 -5.870 1.00 71.53 O ATOM 1952 CB ILE A 126 5.525 -0.803 -8.723 1.00 1.13 C ATOM 1953 CG1 ILE A 126 4.813 0.015 -9.865 1.00 13.41 C ATOM 1954 CG2 ILE A 126 6.232 -2.050 -9.315 1.00 20.13 C ATOM 1955 CD1 ILE A 126 4.550 1.475 -9.560 1.00 70.52 C ATOM 0 H ILE A 126 4.221 0.685 -6.756 1.00 10.24 H new ATOM 0 HA ILE A 126 3.851 -1.986 -7.966 1.00 70.41 H new ATOM 0 HB ILE A 126 6.265 -0.139 -8.276 1.00 1.13 H new ATOM 0 HG12 ILE A 126 5.425 -0.045 -10.765 1.00 13.41 H new ATOM 0 HG13 ILE A 126 3.862 -0.467 -10.093 1.00 13.41 H new ATOM 0 HG21 ILE A 126 6.910 -1.741 -10.111 1.00 20.13 H new ATOM 0 HG22 ILE A 126 6.798 -2.554 -8.531 1.00 20.13 H new ATOM 0 HG23 ILE A 126 5.486 -2.734 -9.720 1.00 20.13 H new ATOM 0 HD11 ILE A 126 4.057 1.942 -10.413 1.00 70.52 H new ATOM 0 HD12 ILE A 126 3.908 1.554 -8.682 1.00 70.52 H new ATOM 0 HD13 ILE A 126 5.495 1.982 -9.365 1.00 70.52 H new ATOM 1967 N SER A 127 5.013 -3.055 -5.964 1.00 35.11 N ATOM 1968 CA SER A 127 5.685 -3.769 -4.857 1.00 52.30 C ATOM 1969 C SER A 127 6.785 -4.706 -5.407 1.00 61.54 C ATOM 1970 O SER A 127 6.494 -5.599 -6.195 1.00 54.14 O ATOM 1971 CB SER A 127 4.630 -4.571 -4.057 1.00 54.43 C ATOM 1972 OG SER A 127 3.624 -3.716 -3.533 1.00 1.02 O ATOM 0 H SER A 127 4.253 -3.589 -6.386 1.00 35.11 H new ATOM 0 HA SER A 127 6.163 -3.047 -4.195 1.00 52.30 H new ATOM 0 HB2 SER A 127 4.173 -5.321 -4.703 1.00 54.43 H new ATOM 0 HB3 SER A 127 5.117 -5.106 -3.242 1.00 54.43 H new ATOM 0 HG SER A 127 2.970 -4.248 -3.034 1.00 1.02 H new ATOM 1978 N THR A 128 8.057 -4.489 -5.007 1.00 35.15 N ATOM 1979 CA THR A 128 9.211 -5.293 -5.488 1.00 0.33 C ATOM 1980 C THR A 128 9.691 -6.292 -4.405 1.00 53.21 C ATOM 1981 O THR A 128 9.981 -5.910 -3.269 1.00 23.43 O ATOM 1982 CB THR A 128 10.394 -4.374 -5.944 1.00 23.44 C ATOM 1983 OG1 THR A 128 10.847 -3.559 -4.859 1.00 3.24 O ATOM 1984 CG2 THR A 128 9.984 -3.465 -7.125 1.00 65.31 C ATOM 0 H THR A 128 8.316 -3.757 -4.346 1.00 35.15 H new ATOM 0 HA THR A 128 8.870 -5.864 -6.352 1.00 0.33 H new ATOM 0 HB THR A 128 11.202 -5.029 -6.272 1.00 23.44 H new ATOM 0 HG1 THR A 128 11.587 -2.993 -5.162 1.00 3.24 H new ATOM 0 HG21 THR A 128 10.830 -2.841 -7.415 1.00 65.31 H new ATOM 0 HG22 THR A 128 9.682 -4.082 -7.971 1.00 65.31 H new ATOM 0 HG23 THR A 128 9.151 -2.830 -6.823 1.00 65.31 H new ATOM 1992 N PHE A 129 9.803 -7.580 -4.784 1.00 54.15 N ATOM 1993 CA PHE A 129 9.989 -8.714 -3.841 1.00 20.14 C ATOM 1994 C PHE A 129 11.441 -9.259 -3.842 1.00 12.10 C ATOM 1995 O PHE A 129 12.181 -9.106 -4.815 1.00 21.04 O ATOM 1996 CB PHE A 129 8.996 -9.852 -4.208 1.00 23.34 C ATOM 1997 CG PHE A 129 7.524 -9.439 -4.124 1.00 73.20 C ATOM 1998 CD1 PHE A 129 6.908 -8.777 -5.184 1.00 0.04 C ATOM 1999 CD2 PHE A 129 6.766 -9.691 -2.984 1.00 13.52 C ATOM 2000 CE1 PHE A 129 5.589 -8.386 -5.110 1.00 62.11 C ATOM 2001 CE2 PHE A 129 5.442 -9.294 -2.915 1.00 70.21 C ATOM 2002 CZ PHE A 129 4.855 -8.644 -3.979 1.00 41.52 C ATOM 0 H PHE A 129 9.767 -7.871 -5.761 1.00 54.15 H new ATOM 0 HA PHE A 129 9.790 -8.344 -2.835 1.00 20.14 H new ATOM 0 HB2 PHE A 129 9.210 -10.196 -5.220 1.00 23.34 H new ATOM 0 HB3 PHE A 129 9.165 -10.698 -3.542 1.00 23.34 H new ATOM 0 HD1 PHE A 129 7.474 -8.567 -6.079 1.00 0.04 H new ATOM 0 HD2 PHE A 129 7.216 -10.201 -2.145 1.00 13.52 H new ATOM 0 HE1 PHE A 129 5.131 -7.875 -5.944 1.00 62.11 H new ATOM 0 HE2 PHE A 129 4.866 -9.494 -2.023 1.00 70.21 H new ATOM 0 HZ PHE A 129 3.821 -8.338 -3.923 1.00 41.52 H new ATOM 2012 N GLU A 130 11.803 -9.910 -2.723 1.00 34.44 N ATOM 2013 CA GLU A 130 13.115 -10.566 -2.505 1.00 32.44 C ATOM 2014 C GLU A 130 13.351 -11.773 -3.457 1.00 64.35 C ATOM 2015 O GLU A 130 14.448 -11.933 -4.010 1.00 30.44 O ATOM 2016 CB GLU A 130 13.191 -11.057 -1.028 1.00 71.33 C ATOM 2017 CG GLU A 130 12.998 -9.955 0.039 1.00 74.10 C ATOM 2018 CD GLU A 130 14.121 -8.904 0.030 1.00 42.33 C ATOM 2019 OE1 GLU A 130 15.229 -9.204 0.529 1.00 11.22 O ATOM 2020 OE2 GLU A 130 13.919 -7.789 -0.498 1.00 75.35 O ATOM 0 H GLU A 130 11.179 -10.000 -1.921 1.00 34.44 H new ATOM 0 HA GLU A 130 13.891 -9.831 -2.719 1.00 32.44 H new ATOM 0 HB2 GLU A 130 12.432 -11.825 -0.877 1.00 71.33 H new ATOM 0 HB3 GLU A 130 14.160 -11.531 -0.868 1.00 71.33 H new ATOM 0 HG2 GLU A 130 12.042 -9.458 -0.129 1.00 74.10 H new ATOM 0 HG3 GLU A 130 12.948 -10.417 1.025 1.00 74.10 H new ATOM 2027 N SER A 131 12.312 -12.620 -3.622 1.00 3.34 N ATOM 2028 CA SER A 131 12.408 -13.895 -4.385 1.00 63.42 C ATOM 2029 C SER A 131 11.050 -14.294 -5.002 1.00 32.23 C ATOM 2030 O SER A 131 10.003 -13.754 -4.627 1.00 33.34 O ATOM 2031 CB SER A 131 12.910 -15.031 -3.461 1.00 22.23 C ATOM 2032 OG SER A 131 11.985 -15.303 -2.417 1.00 75.24 O ATOM 0 H SER A 131 11.385 -12.445 -3.234 1.00 3.34 H new ATOM 0 HA SER A 131 13.118 -13.739 -5.198 1.00 63.42 H new ATOM 0 HB2 SER A 131 13.072 -15.934 -4.049 1.00 22.23 H new ATOM 0 HB3 SER A 131 13.873 -14.753 -3.032 1.00 22.23 H new ATOM 0 HG SER A 131 12.331 -16.026 -1.853 1.00 75.24 H new ATOM 2038 N GLU A 132 11.086 -15.255 -5.954 1.00 61.23 N ATOM 2039 CA GLU A 132 9.874 -15.736 -6.667 1.00 71.30 C ATOM 2040 C GLU A 132 8.982 -16.620 -5.767 1.00 72.55 C ATOM 2041 O GLU A 132 7.756 -16.565 -5.864 1.00 34.01 O ATOM 2042 CB GLU A 132 10.253 -16.502 -7.963 1.00 1.10 C ATOM 2043 CG GLU A 132 9.045 -16.835 -8.866 1.00 54.04 C ATOM 2044 CD GLU A 132 9.421 -17.624 -10.129 1.00 24.35 C ATOM 2045 OE1 GLU A 132 9.732 -17.000 -11.165 1.00 71.34 O ATOM 2046 OE2 GLU A 132 9.415 -18.874 -10.093 1.00 64.42 O ATOM 0 H GLU A 132 11.946 -15.717 -6.249 1.00 61.23 H new ATOM 0 HA GLU A 132 9.299 -14.851 -6.938 1.00 71.30 H new ATOM 0 HB2 GLU A 132 10.966 -15.905 -8.531 1.00 1.10 H new ATOM 0 HB3 GLU A 132 10.758 -17.429 -7.692 1.00 1.10 H new ATOM 0 HG2 GLU A 132 8.320 -17.410 -8.291 1.00 54.04 H new ATOM 0 HG3 GLU A 132 8.555 -15.907 -9.160 1.00 54.04 H new ATOM 2053 N GLU A 133 9.607 -17.435 -4.895 1.00 1.11 N ATOM 2054 CA GLU A 133 8.879 -18.292 -3.919 1.00 53.11 C ATOM 2055 C GLU A 133 8.066 -17.432 -2.908 1.00 40.34 C ATOM 2056 O GLU A 133 6.988 -17.828 -2.456 1.00 41.53 O ATOM 2057 CB GLU A 133 9.881 -19.220 -3.171 1.00 0.12 C ATOM 2058 CG GLU A 133 10.971 -18.475 -2.366 1.00 64.13 C ATOM 2059 CD GLU A 133 11.915 -19.414 -1.607 1.00 24.20 C ATOM 2060 OE1 GLU A 133 11.590 -19.800 -0.468 1.00 12.44 O ATOM 2061 OE2 GLU A 133 12.984 -19.780 -2.150 1.00 63.15 O ATOM 0 H GLU A 133 10.622 -17.523 -4.841 1.00 1.11 H new ATOM 0 HA GLU A 133 8.170 -18.910 -4.470 1.00 53.11 H new ATOM 0 HB2 GLU A 133 9.322 -19.863 -2.491 1.00 0.12 H new ATOM 0 HB3 GLU A 133 10.366 -19.870 -3.899 1.00 0.12 H new ATOM 0 HG2 GLU A 133 11.556 -17.856 -3.047 1.00 64.13 H new ATOM 0 HG3 GLU A 133 10.491 -17.802 -1.656 1.00 64.13 H new ATOM 2068 N GLN A 134 8.615 -16.242 -2.577 1.00 43.53 N ATOM 2069 CA GLN A 134 7.937 -15.242 -1.730 1.00 44.24 C ATOM 2070 C GLN A 134 6.795 -14.578 -2.527 1.00 71.23 C ATOM 2071 O GLN A 134 5.670 -14.520 -2.064 1.00 14.41 O ATOM 2072 CB GLN A 134 8.947 -14.160 -1.267 1.00 23.24 C ATOM 2073 CG GLN A 134 8.309 -12.924 -0.570 1.00 62.05 C ATOM 2074 CD GLN A 134 9.190 -11.684 -0.628 1.00 63.04 C ATOM 2075 OE1 GLN A 134 9.997 -11.549 -1.524 1.00 32.23 O ATOM 2076 NE2 GLN A 134 8.992 -10.744 0.270 1.00 55.23 N ATOM 0 H GLN A 134 9.541 -15.950 -2.891 1.00 43.53 H new ATOM 0 HA GLN A 134 7.526 -15.741 -0.852 1.00 44.24 H new ATOM 0 HB2 GLN A 134 9.659 -14.618 -0.581 1.00 23.24 H new ATOM 0 HB3 GLN A 134 9.514 -13.818 -2.133 1.00 23.24 H new ATOM 0 HG2 GLN A 134 7.351 -12.704 -1.040 1.00 62.05 H new ATOM 0 HG3 GLN A 134 8.104 -13.168 0.472 1.00 62.05 H new ATOM 0 HE21 GLN A 134 8.307 -10.884 1.013 1.00 55.23 H new ATOM 0 HE22 GLN A 134 9.523 -9.875 0.224 1.00 55.23 H new ATOM 2085 N MET A 135 7.142 -14.095 -3.732 1.00 11.44 N ATOM 2086 CA MET A 135 6.218 -13.419 -4.685 1.00 41.20 C ATOM 2087 C MET A 135 4.930 -14.254 -4.952 1.00 72.44 C ATOM 2088 O MET A 135 3.823 -13.705 -5.055 1.00 50.43 O ATOM 2089 CB MET A 135 7.017 -13.153 -5.990 1.00 45.13 C ATOM 2090 CG MET A 135 6.235 -12.597 -7.177 1.00 14.14 C ATOM 2091 SD MET A 135 5.350 -11.076 -6.796 1.00 64.42 S ATOM 2092 CE MET A 135 5.179 -10.308 -8.407 1.00 31.31 C ATOM 0 H MET A 135 8.096 -14.161 -4.088 1.00 11.44 H new ATOM 0 HA MET A 135 5.865 -12.480 -4.258 1.00 41.20 H new ATOM 0 HB2 MET A 135 7.823 -12.457 -5.758 1.00 45.13 H new ATOM 0 HB3 MET A 135 7.483 -14.089 -6.299 1.00 45.13 H new ATOM 0 HG2 MET A 135 6.923 -12.412 -8.002 1.00 14.14 H new ATOM 0 HG3 MET A 135 5.523 -13.348 -7.518 1.00 14.14 H new ATOM 0 HE1 MET A 135 4.712 -9.329 -8.296 1.00 31.31 H new ATOM 0 HE2 MET A 135 6.163 -10.191 -8.861 1.00 31.31 H new ATOM 0 HE3 MET A 135 4.557 -10.936 -9.045 1.00 31.31 H new ATOM 2102 N GLN A 136 5.098 -15.585 -5.041 1.00 75.51 N ATOM 2103 CA GLN A 136 3.974 -16.537 -5.130 1.00 20.13 C ATOM 2104 C GLN A 136 3.226 -16.651 -3.781 1.00 72.40 C ATOM 2105 O GLN A 136 2.002 -16.545 -3.751 1.00 14.24 O ATOM 2106 CB GLN A 136 4.475 -17.933 -5.598 1.00 61.25 C ATOM 2107 CG GLN A 136 4.830 -18.015 -7.101 1.00 21.45 C ATOM 2108 CD GLN A 136 3.624 -17.775 -8.032 1.00 14.35 C ATOM 2109 OE1 GLN A 136 2.479 -18.054 -7.681 1.00 11.31 O ATOM 2110 NE2 GLN A 136 3.869 -17.282 -9.234 1.00 50.03 N ATOM 0 H GLN A 136 6.015 -16.032 -5.053 1.00 75.51 H new ATOM 0 HA GLN A 136 3.271 -16.155 -5.870 1.00 20.13 H new ATOM 0 HB2 GLN A 136 5.355 -18.204 -5.014 1.00 61.25 H new ATOM 0 HB3 GLN A 136 3.706 -18.674 -5.378 1.00 61.25 H new ATOM 0 HG2 GLN A 136 5.603 -17.280 -7.324 1.00 21.45 H new ATOM 0 HG3 GLN A 136 5.253 -18.997 -7.313 1.00 21.45 H new ATOM 0 HE21 GLN A 136 4.825 -17.056 -9.508 1.00 50.03 H new ATOM 0 HE22 GLN A 136 3.102 -17.127 -9.888 1.00 50.03 H new ATOM 2119 N LYS A 137 3.975 -16.850 -2.668 1.00 3.44 N ATOM 2120 CA LYS A 137 3.377 -17.064 -1.316 1.00 62.43 C ATOM 2121 C LYS A 137 2.527 -15.848 -0.845 1.00 33.14 C ATOM 2122 O LYS A 137 1.529 -16.022 -0.146 1.00 25.53 O ATOM 2123 CB LYS A 137 4.479 -17.434 -0.270 1.00 11.00 C ATOM 2124 CG LYS A 137 3.953 -17.744 1.159 1.00 13.21 C ATOM 2125 CD LYS A 137 2.803 -18.786 1.164 1.00 32.45 C ATOM 2126 CE LYS A 137 2.176 -18.998 2.553 1.00 44.23 C ATOM 2127 NZ LYS A 137 3.074 -19.719 3.483 1.00 24.30 N ATOM 0 H LYS A 137 4.995 -16.868 -2.675 1.00 3.44 H new ATOM 0 HA LYS A 137 2.692 -17.908 -1.397 1.00 62.43 H new ATOM 0 HB2 LYS A 137 5.028 -18.302 -0.635 1.00 11.00 H new ATOM 0 HB3 LYS A 137 5.190 -16.611 -0.208 1.00 11.00 H new ATOM 0 HG2 LYS A 137 4.775 -18.114 1.771 1.00 13.21 H new ATOM 0 HG3 LYS A 137 3.603 -16.821 1.620 1.00 13.21 H new ATOM 0 HD2 LYS A 137 2.028 -18.464 0.469 1.00 32.45 H new ATOM 0 HD3 LYS A 137 3.184 -19.739 0.797 1.00 32.45 H new ATOM 0 HE2 LYS A 137 1.918 -18.030 2.982 1.00 44.23 H new ATOM 0 HE3 LYS A 137 1.247 -19.557 2.446 1.00 44.23 H new ATOM 0 HZ1 LYS A 137 2.518 -20.384 4.057 1.00 24.30 H new ATOM 0 HZ2 LYS A 137 3.788 -20.245 2.939 1.00 24.30 H new ATOM 0 HZ3 LYS A 137 3.549 -19.036 4.107 1.00 24.30 H new ATOM 2141 N MET A 138 2.914 -14.636 -1.261 1.00 74.14 N ATOM 2142 CA MET A 138 2.141 -13.397 -0.998 1.00 21.24 C ATOM 2143 C MET A 138 0.737 -13.489 -1.650 1.00 33.13 C ATOM 2144 O MET A 138 -0.281 -13.175 -1.027 1.00 51.20 O ATOM 2145 CB MET A 138 2.923 -12.171 -1.546 1.00 45.34 C ATOM 2146 CG MET A 138 4.326 -11.938 -0.926 1.00 14.25 C ATOM 2147 SD MET A 138 4.347 -10.757 0.449 1.00 74.24 S ATOM 2148 CE MET A 138 3.498 -11.636 1.755 1.00 3.14 C ATOM 0 H MET A 138 3.771 -14.477 -1.790 1.00 74.14 H new ATOM 0 HA MET A 138 2.007 -13.278 0.077 1.00 21.24 H new ATOM 0 HB2 MET A 138 3.037 -12.288 -2.624 1.00 45.34 H new ATOM 0 HB3 MET A 138 2.321 -11.277 -1.384 1.00 45.34 H new ATOM 0 HG2 MET A 138 4.719 -12.893 -0.576 1.00 14.25 H new ATOM 0 HG3 MET A 138 5.000 -11.583 -1.705 1.00 14.25 H new ATOM 0 HE1 MET A 138 3.694 -11.147 2.709 1.00 3.14 H new ATOM 0 HE2 MET A 138 2.426 -11.632 1.559 1.00 3.14 H new ATOM 0 HE3 MET A 138 3.856 -12.665 1.794 1.00 3.14 H new ATOM 2158 N ALA A 139 0.712 -13.964 -2.906 1.00 53.11 N ATOM 2159 CA ALA A 139 -0.534 -14.229 -3.652 1.00 61.11 C ATOM 2160 C ALA A 139 -1.355 -15.381 -3.007 1.00 74.20 C ATOM 2161 O ALA A 139 -2.589 -15.343 -2.999 1.00 62.04 O ATOM 2162 CB ALA A 139 -0.196 -14.541 -5.117 1.00 74.11 C ATOM 0 H ALA A 139 1.557 -14.176 -3.436 1.00 53.11 H new ATOM 0 HA ALA A 139 -1.159 -13.337 -3.612 1.00 61.11 H new ATOM 0 HB1 ALA A 139 -1.115 -14.737 -5.669 1.00 74.11 H new ATOM 0 HB2 ALA A 139 0.319 -13.689 -5.561 1.00 74.11 H new ATOM 0 HB3 ALA A 139 0.449 -15.419 -5.163 1.00 74.11 H new ATOM 2168 N GLU A 140 -0.648 -16.393 -2.450 1.00 54.11 N ATOM 2169 CA GLU A 140 -1.284 -17.547 -1.754 1.00 1.41 C ATOM 2170 C GLU A 140 -1.867 -17.148 -0.370 1.00 52.55 C ATOM 2171 O GLU A 140 -2.736 -17.841 0.166 1.00 75.12 O ATOM 2172 CB GLU A 140 -0.274 -18.721 -1.583 1.00 70.43 C ATOM 2173 CG GLU A 140 0.424 -19.194 -2.879 1.00 32.03 C ATOM 2174 CD GLU A 140 -0.539 -19.462 -4.053 1.00 74.31 C ATOM 2175 OE1 GLU A 140 -1.241 -20.501 -4.042 1.00 44.51 O ATOM 2176 OE2 GLU A 140 -0.605 -18.634 -4.988 1.00 21.30 O ATOM 0 H GLU A 140 0.371 -16.437 -2.468 1.00 54.11 H new ATOM 0 HA GLU A 140 -2.111 -17.875 -2.384 1.00 1.41 H new ATOM 0 HB2 GLU A 140 0.492 -18.417 -0.869 1.00 70.43 H new ATOM 0 HB3 GLU A 140 -0.800 -19.569 -1.145 1.00 70.43 H new ATOM 0 HG2 GLU A 140 1.150 -18.440 -3.184 1.00 32.03 H new ATOM 0 HG3 GLU A 140 0.982 -20.106 -2.666 1.00 32.03 H new ATOM 2183 N MET A 141 -1.365 -16.034 0.202 1.00 24.44 N ATOM 2184 CA MET A 141 -1.929 -15.423 1.433 1.00 5.32 C ATOM 2185 C MET A 141 -3.229 -14.626 1.129 1.00 53.10 C ATOM 2186 O MET A 141 -3.918 -14.187 2.056 1.00 22.22 O ATOM 2187 CB MET A 141 -0.878 -14.484 2.099 1.00 1.32 C ATOM 2188 CG MET A 141 0.337 -15.200 2.718 1.00 51.23 C ATOM 2189 SD MET A 141 -0.095 -16.253 4.125 1.00 62.21 S ATOM 2190 CE MET A 141 -0.741 -15.055 5.303 1.00 1.04 C ATOM 0 H MET A 141 -0.560 -15.531 -0.172 1.00 24.44 H new ATOM 0 HA MET A 141 -2.179 -16.232 2.119 1.00 5.32 H new ATOM 0 HB2 MET A 141 -0.521 -13.776 1.351 1.00 1.32 H new ATOM 0 HB3 MET A 141 -1.374 -13.903 2.877 1.00 1.32 H new ATOM 0 HG2 MET A 141 0.821 -15.807 1.953 1.00 51.23 H new ATOM 0 HG3 MET A 141 1.064 -14.455 3.040 1.00 51.23 H new ATOM 0 HE1 MET A 141 -0.761 -15.498 6.299 1.00 1.04 H new ATOM 0 HE2 MET A 141 -0.102 -14.172 5.311 1.00 1.04 H new ATOM 0 HE3 MET A 141 -1.752 -14.769 5.013 1.00 1.04 H new ATOM 2200 N GLY A 142 -3.549 -14.448 -0.172 1.00 3.25 N ATOM 2201 CA GLY A 142 -4.688 -13.620 -0.593 1.00 15.21 C ATOM 2202 C GLY A 142 -4.436 -12.119 -0.406 1.00 23.43 C ATOM 2203 O GLY A 142 -5.380 -11.326 -0.259 1.00 40.31 O ATOM 0 H GLY A 142 -3.032 -14.869 -0.944 1.00 3.25 H new ATOM 0 HA2 GLY A 142 -4.907 -13.819 -1.642 1.00 15.21 H new ATOM 0 HA3 GLY A 142 -5.571 -13.909 -0.023 1.00 15.21 H new ATOM 2207 N MET A 143 -3.138 -11.738 -0.434 1.00 62.32 N ATOM 2208 CA MET A 143 -2.679 -10.349 -0.210 1.00 44.43 C ATOM 2209 C MET A 143 -3.157 -9.399 -1.335 1.00 51.22 C ATOM 2210 O MET A 143 -3.441 -8.233 -1.074 1.00 44.23 O ATOM 2211 CB MET A 143 -1.132 -10.327 -0.099 1.00 11.44 C ATOM 2212 CG MET A 143 -0.507 -8.979 0.285 1.00 20.42 C ATOM 2213 SD MET A 143 1.298 -9.070 0.355 1.00 65.04 S ATOM 2214 CE MET A 143 1.739 -7.408 0.877 1.00 21.12 C ATOM 0 H MET A 143 -2.375 -12.391 -0.614 1.00 62.32 H new ATOM 0 HA MET A 143 -3.116 -9.990 0.722 1.00 44.43 H new ATOM 0 HB2 MET A 143 -0.829 -11.069 0.639 1.00 11.44 H new ATOM 0 HB3 MET A 143 -0.714 -10.640 -1.056 1.00 11.44 H new ATOM 0 HG2 MET A 143 -0.805 -8.221 -0.439 1.00 20.42 H new ATOM 0 HG3 MET A 143 -0.893 -8.663 1.254 1.00 20.42 H new ATOM 0 HE1 MET A 143 2.823 -7.328 0.959 1.00 21.12 H new ATOM 0 HE2 MET A 143 1.377 -6.688 0.143 1.00 21.12 H new ATOM 0 HE3 MET A 143 1.285 -7.198 1.846 1.00 21.12 H new ATOM 2224 N GLU A 144 -3.263 -9.928 -2.576 1.00 51.44 N ATOM 2225 CA GLU A 144 -3.743 -9.157 -3.754 1.00 34.23 C ATOM 2226 C GLU A 144 -5.200 -8.658 -3.561 1.00 53.24 C ATOM 2227 O GLU A 144 -5.535 -7.541 -3.961 1.00 24.41 O ATOM 2228 CB GLU A 144 -3.659 -10.012 -5.046 1.00 30.04 C ATOM 2229 CG GLU A 144 -2.258 -10.549 -5.383 1.00 32.21 C ATOM 2230 CD GLU A 144 -2.251 -11.377 -6.680 1.00 2.31 C ATOM 2231 OE1 GLU A 144 -2.460 -12.606 -6.624 1.00 34.34 O ATOM 2232 OE2 GLU A 144 -2.069 -10.797 -7.771 1.00 23.24 O ATOM 0 H GLU A 144 -3.021 -10.895 -2.792 1.00 51.44 H new ATOM 0 HA GLU A 144 -3.091 -8.289 -3.851 1.00 34.23 H new ATOM 0 HB2 GLU A 144 -4.341 -10.857 -4.949 1.00 30.04 H new ATOM 0 HB3 GLU A 144 -4.012 -9.411 -5.884 1.00 30.04 H new ATOM 0 HG2 GLU A 144 -1.565 -9.714 -5.483 1.00 32.21 H new ATOM 0 HG3 GLU A 144 -1.898 -11.165 -4.559 1.00 32.21 H new ATOM 2239 N GLU A 145 -6.043 -9.506 -2.933 1.00 22.32 N ATOM 2240 CA GLU A 145 -7.452 -9.176 -2.634 1.00 0.03 C ATOM 2241 C GLU A 145 -7.554 -8.059 -1.572 1.00 11.53 C ATOM 2242 O GLU A 145 -8.154 -7.028 -1.833 1.00 25.14 O ATOM 2243 CB GLU A 145 -8.207 -10.435 -2.146 1.00 13.23 C ATOM 2244 CG GLU A 145 -9.697 -10.196 -1.814 1.00 72.35 C ATOM 2245 CD GLU A 145 -10.415 -11.447 -1.289 1.00 44.54 C ATOM 2246 OE1 GLU A 145 -10.377 -11.698 -0.062 1.00 52.33 O ATOM 2247 OE2 GLU A 145 -11.005 -12.196 -2.098 1.00 64.20 O ATOM 0 H GLU A 145 -5.766 -10.436 -2.620 1.00 22.32 H new ATOM 0 HA GLU A 145 -7.911 -8.815 -3.554 1.00 0.03 H new ATOM 0 HB2 GLU A 145 -8.137 -11.206 -2.913 1.00 13.23 H new ATOM 0 HB3 GLU A 145 -7.707 -10.823 -1.258 1.00 13.23 H new ATOM 0 HG2 GLU A 145 -9.773 -9.404 -1.069 1.00 72.35 H new ATOM 0 HG3 GLU A 145 -10.208 -9.842 -2.709 1.00 72.35 H new ATOM 2254 N GLY A 146 -6.945 -8.283 -0.381 1.00 71.32 N ATOM 2255 CA GLY A 146 -6.958 -7.286 0.716 1.00 1.15 C ATOM 2256 C GLY A 146 -6.364 -5.925 0.320 1.00 74.54 C ATOM 2257 O GLY A 146 -6.821 -4.875 0.784 1.00 61.24 O ATOM 0 H GLY A 146 -6.441 -9.141 -0.157 1.00 71.32 H new ATOM 0 HA2 GLY A 146 -7.985 -7.141 1.051 1.00 1.15 H new ATOM 0 HA3 GLY A 146 -6.399 -7.684 1.563 1.00 1.15 H new ATOM 2261 N MET A 147 -5.345 -5.974 -0.556 1.00 3.21 N ATOM 2262 CA MET A 147 -4.708 -4.779 -1.156 1.00 12.15 C ATOM 2263 C MET A 147 -5.689 -4.038 -2.100 1.00 41.12 C ATOM 2264 O MET A 147 -5.855 -2.821 -2.002 1.00 42.44 O ATOM 2265 CB MET A 147 -3.442 -5.221 -1.932 1.00 20.33 C ATOM 2266 CG MET A 147 -2.645 -4.091 -2.586 1.00 41.01 C ATOM 2267 SD MET A 147 -2.000 -2.901 -1.395 1.00 71.54 S ATOM 2268 CE MET A 147 -1.020 -1.847 -2.463 1.00 1.10 C ATOM 0 H MET A 147 -4.933 -6.852 -0.873 1.00 3.21 H new ATOM 0 HA MET A 147 -4.431 -4.087 -0.361 1.00 12.15 H new ATOM 0 HB2 MET A 147 -2.785 -5.757 -1.247 1.00 20.33 H new ATOM 0 HB3 MET A 147 -3.740 -5.928 -2.706 1.00 20.33 H new ATOM 0 HG2 MET A 147 -1.816 -4.518 -3.150 1.00 41.01 H new ATOM 0 HG3 MET A 147 -3.282 -3.571 -3.301 1.00 41.01 H new ATOM 0 HE1 MET A 147 -0.881 -0.876 -1.988 1.00 1.10 H new ATOM 0 HE2 MET A 147 -0.048 -2.308 -2.637 1.00 1.10 H new ATOM 0 HE3 MET A 147 -1.534 -1.715 -3.415 1.00 1.10 H new ATOM 2278 N ARG A 148 -6.341 -4.801 -2.996 1.00 24.34 N ATOM 2279 CA ARG A 148 -7.296 -4.256 -3.990 1.00 52.43 C ATOM 2280 C ARG A 148 -8.531 -3.630 -3.307 1.00 50.40 C ATOM 2281 O ARG A 148 -8.934 -2.536 -3.664 1.00 55.21 O ATOM 2282 CB ARG A 148 -7.745 -5.371 -4.973 1.00 75.35 C ATOM 2283 CG ARG A 148 -8.753 -4.923 -6.062 1.00 62.13 C ATOM 2284 CD ARG A 148 -9.208 -6.082 -6.970 1.00 4.02 C ATOM 2285 NE ARG A 148 -8.102 -6.657 -7.773 1.00 2.53 N ATOM 2286 CZ ARG A 148 -7.516 -7.829 -7.569 1.00 63.00 C ATOM 2287 NH1 ARG A 148 -7.826 -8.579 -6.557 1.00 12.24 N ATOM 2288 NH2 ARG A 148 -6.603 -8.233 -8.390 1.00 13.24 N ATOM 0 H ARG A 148 -6.224 -5.813 -3.055 1.00 24.34 H new ATOM 0 HA ARG A 148 -6.782 -3.470 -4.544 1.00 52.43 H new ATOM 0 HB2 ARG A 148 -6.861 -5.778 -5.464 1.00 75.35 H new ATOM 0 HB3 ARG A 148 -8.192 -6.182 -4.398 1.00 75.35 H new ATOM 0 HG2 ARG A 148 -9.626 -4.480 -5.582 1.00 62.13 H new ATOM 0 HG3 ARG A 148 -8.297 -4.145 -6.675 1.00 62.13 H new ATOM 0 HD2 ARG A 148 -9.649 -6.866 -6.355 1.00 4.02 H new ATOM 0 HD3 ARG A 148 -9.990 -5.725 -7.641 1.00 4.02 H new ATOM 0 HE ARG A 148 -7.760 -6.099 -8.555 1.00 2.53 H new ATOM 0 HH11 ARG A 148 -8.537 -8.272 -5.893 1.00 12.24 H new ATOM 0 HH12 ARG A 148 -7.359 -9.476 -6.425 1.00 12.24 H new ATOM 0 HH21 ARG A 148 -6.339 -7.652 -9.186 1.00 13.24 H new ATOM 0 HH22 ARG A 148 -6.146 -9.133 -8.242 1.00 13.24 H new ATOM 2302 N GLU A 149 -9.095 -4.341 -2.314 1.00 2.23 N ATOM 2303 CA GLU A 149 -10.315 -3.912 -1.584 1.00 34.02 C ATOM 2304 C GLU A 149 -10.054 -2.673 -0.708 1.00 0.01 C ATOM 2305 O GLU A 149 -10.972 -1.893 -0.445 1.00 52.33 O ATOM 2306 CB GLU A 149 -10.892 -5.070 -0.727 1.00 63.03 C ATOM 2307 CG GLU A 149 -11.292 -6.331 -1.533 1.00 63.21 C ATOM 2308 CD GLU A 149 -12.230 -6.022 -2.717 1.00 21.32 C ATOM 2309 OE1 GLU A 149 -13.416 -5.706 -2.481 1.00 32.21 O ATOM 2310 OE2 GLU A 149 -11.790 -6.091 -3.885 1.00 23.42 O ATOM 0 H GLU A 149 -8.721 -5.233 -1.990 1.00 2.23 H new ATOM 0 HA GLU A 149 -11.055 -3.637 -2.336 1.00 34.02 H new ATOM 0 HB2 GLU A 149 -10.153 -5.353 0.022 1.00 63.03 H new ATOM 0 HB3 GLU A 149 -11.767 -4.706 -0.190 1.00 63.03 H new ATOM 0 HG2 GLU A 149 -10.391 -6.815 -1.909 1.00 63.21 H new ATOM 0 HG3 GLU A 149 -11.781 -7.041 -0.866 1.00 63.21 H new ATOM 2317 N ALA A 150 -8.795 -2.519 -0.254 1.00 21.02 N ATOM 2318 CA ALA A 150 -8.326 -1.277 0.385 1.00 42.14 C ATOM 2319 C ALA A 150 -8.415 -0.093 -0.612 1.00 31.22 C ATOM 2320 O ALA A 150 -8.950 0.977 -0.295 1.00 74.32 O ATOM 2321 CB ALA A 150 -6.888 -1.466 0.887 1.00 12.44 C ATOM 0 H ALA A 150 -8.082 -3.245 -0.319 1.00 21.02 H new ATOM 0 HA ALA A 150 -8.964 -1.047 1.238 1.00 42.14 H new ATOM 0 HB1 ALA A 150 -6.544 -0.546 1.359 1.00 12.44 H new ATOM 0 HB2 ALA A 150 -6.860 -2.279 1.613 1.00 12.44 H new ATOM 0 HB3 ALA A 150 -6.238 -1.708 0.046 1.00 12.44 H new ATOM 2327 N ILE A 151 -7.911 -0.332 -1.836 1.00 11.25 N ATOM 2328 CA ILE A 151 -7.925 0.651 -2.944 1.00 3.53 C ATOM 2329 C ILE A 151 -9.373 0.912 -3.476 1.00 63.31 C ATOM 2330 O ILE A 151 -9.686 1.997 -3.988 1.00 61.23 O ATOM 2331 CB ILE A 151 -6.967 0.175 -4.101 1.00 22.43 C ATOM 2332 CG1 ILE A 151 -5.511 -0.052 -3.560 1.00 63.00 C ATOM 2333 CG2 ILE A 151 -6.956 1.171 -5.282 1.00 70.22 C ATOM 2334 CD1 ILE A 151 -4.539 -0.662 -4.564 1.00 44.34 C ATOM 0 H ILE A 151 -7.478 -1.220 -2.090 1.00 11.25 H new ATOM 0 HA ILE A 151 -7.559 1.601 -2.556 1.00 3.53 H new ATOM 0 HB ILE A 151 -7.353 -0.774 -4.473 1.00 22.43 H new ATOM 0 HG12 ILE A 151 -5.111 0.905 -3.225 1.00 63.00 H new ATOM 0 HG13 ILE A 151 -5.561 -0.701 -2.685 1.00 63.00 H new ATOM 0 HG21 ILE A 151 -6.284 0.807 -6.059 1.00 70.22 H new ATOM 0 HG22 ILE A 151 -7.963 1.265 -5.688 1.00 70.22 H new ATOM 0 HG23 ILE A 151 -6.613 2.145 -4.933 1.00 70.22 H new ATOM 0 HD11 ILE A 151 -3.561 -0.780 -4.098 1.00 44.34 H new ATOM 0 HD12 ILE A 151 -4.909 -1.636 -4.883 1.00 44.34 H new ATOM 0 HD13 ILE A 151 -4.451 -0.006 -5.430 1.00 44.34 H new ATOM 2346 N GLU A 152 -10.250 -0.088 -3.325 1.00 73.35 N ATOM 2347 CA GLU A 152 -11.693 0.034 -3.639 1.00 31.15 C ATOM 2348 C GLU A 152 -12.401 0.929 -2.609 1.00 64.20 C ATOM 2349 O GLU A 152 -13.283 1.720 -2.956 1.00 62.14 O ATOM 2350 CB GLU A 152 -12.352 -1.375 -3.684 1.00 35.14 C ATOM 2351 CG GLU A 152 -11.870 -2.270 -4.846 1.00 14.34 C ATOM 2352 CD GLU A 152 -12.267 -1.722 -6.225 1.00 14.00 C ATOM 2353 OE1 GLU A 152 -11.497 -0.947 -6.814 1.00 12.51 O ATOM 2354 OE2 GLU A 152 -13.370 -2.051 -6.713 1.00 63.14 O ATOM 0 H GLU A 152 -9.985 -1.011 -2.981 1.00 73.35 H new ATOM 0 HA GLU A 152 -11.796 0.500 -4.619 1.00 31.15 H new ATOM 0 HB2 GLU A 152 -12.153 -1.886 -2.742 1.00 35.14 H new ATOM 0 HB3 GLU A 152 -13.433 -1.255 -3.759 1.00 35.14 H new ATOM 0 HG2 GLU A 152 -10.785 -2.367 -4.798 1.00 14.34 H new ATOM 0 HG3 GLU A 152 -12.286 -3.270 -4.724 1.00 14.34 H new ATOM 2361 N GLN A 153 -11.951 0.827 -1.348 1.00 33.15 N ATOM 2362 CA GLN A 153 -12.535 1.564 -0.215 1.00 42.23 C ATOM 2363 C GLN A 153 -12.066 3.049 -0.210 1.00 22.03 C ATOM 2364 O GLN A 153 -12.680 3.885 0.445 1.00 72.41 O ATOM 2365 CB GLN A 153 -12.187 0.830 1.112 1.00 31.55 C ATOM 2366 CG GLN A 153 -13.016 1.265 2.344 1.00 43.41 C ATOM 2367 CD GLN A 153 -12.850 0.316 3.537 1.00 24.52 C ATOM 2368 OE1 GLN A 153 -13.596 -0.649 3.688 1.00 50.12 O ATOM 2369 NE2 GLN A 153 -11.893 0.587 4.394 1.00 33.43 N ATOM 0 H GLN A 153 -11.168 0.228 -1.084 1.00 33.15 H new ATOM 0 HA GLN A 153 -13.620 1.586 -0.317 1.00 42.23 H new ATOM 0 HB2 GLN A 153 -12.323 -0.241 0.962 1.00 31.55 H new ATOM 0 HB3 GLN A 153 -11.131 0.989 1.330 1.00 31.55 H new ATOM 0 HG2 GLN A 153 -12.717 2.270 2.641 1.00 43.41 H new ATOM 0 HG3 GLN A 153 -14.069 1.314 2.068 1.00 43.41 H new ATOM 0 HE21 GLN A 153 -11.288 1.394 4.244 1.00 33.43 H new ATOM 0 HE22 GLN A 153 -11.754 -0.010 5.209 1.00 33.43 H new ATOM 2378 N ILE A 154 -10.987 3.366 -0.983 1.00 22.14 N ATOM 2379 CA ILE A 154 -10.527 4.771 -1.209 1.00 33.21 C ATOM 2380 C ILE A 154 -11.633 5.633 -1.863 1.00 51.21 C ATOM 2381 O ILE A 154 -11.743 6.834 -1.578 1.00 40.35 O ATOM 2382 CB ILE A 154 -9.233 4.848 -2.098 1.00 45.33 C ATOM 2383 CG1 ILE A 154 -8.057 4.085 -1.436 1.00 11.44 C ATOM 2384 CG2 ILE A 154 -8.825 6.322 -2.401 1.00 25.04 C ATOM 2385 CD1 ILE A 154 -6.771 4.064 -2.245 1.00 0.35 C ATOM 0 H ILE A 154 -10.418 2.667 -1.461 1.00 22.14 H new ATOM 0 HA ILE A 154 -10.292 5.165 -0.220 1.00 33.21 H new ATOM 0 HB ILE A 154 -9.467 4.367 -3.048 1.00 45.33 H new ATOM 0 HG12 ILE A 154 -7.851 4.536 -0.465 1.00 11.44 H new ATOM 0 HG13 ILE A 154 -8.369 3.057 -1.250 1.00 11.44 H new ATOM 0 HG21 ILE A 154 -7.926 6.331 -3.018 1.00 25.04 H new ATOM 0 HG22 ILE A 154 -9.635 6.822 -2.932 1.00 25.04 H new ATOM 0 HG23 ILE A 154 -8.628 6.845 -1.465 1.00 25.04 H new ATOM 0 HD11 ILE A 154 -6.008 3.508 -1.701 1.00 0.35 H new ATOM 0 HD12 ILE A 154 -6.954 3.584 -3.206 1.00 0.35 H new ATOM 0 HD13 ILE A 154 -6.428 5.085 -2.409 1.00 0.35 H new ATOM 2397 N ASP A 155 -12.443 5.010 -2.737 1.00 70.23 N ATOM 2398 CA ASP A 155 -13.602 5.676 -3.358 1.00 12.12 C ATOM 2399 C ASP A 155 -14.603 6.143 -2.265 1.00 74.33 C ATOM 2400 O ASP A 155 -15.107 7.245 -2.328 1.00 31.21 O ATOM 2401 CB ASP A 155 -14.282 4.729 -4.374 1.00 61.32 C ATOM 2402 CG ASP A 155 -15.450 5.398 -5.120 1.00 33.21 C ATOM 2403 OD1 ASP A 155 -15.190 6.170 -6.071 1.00 3.22 O ATOM 2404 OD2 ASP A 155 -16.625 5.176 -4.747 1.00 24.23 O ATOM 0 H ASP A 155 -12.315 4.042 -3.030 1.00 70.23 H new ATOM 0 HA ASP A 155 -13.258 6.558 -3.898 1.00 12.12 H new ATOM 0 HB2 ASP A 155 -13.542 4.388 -5.098 1.00 61.32 H new ATOM 0 HB3 ASP A 155 -14.648 3.845 -3.852 1.00 61.32 H new ATOM 2409 N ALA A 156 -14.826 5.290 -1.250 1.00 72.22 N ATOM 2410 CA ALA A 156 -15.648 5.628 -0.057 1.00 21.43 C ATOM 2411 C ALA A 156 -14.987 6.721 0.824 1.00 34.24 C ATOM 2412 O ALA A 156 -15.683 7.464 1.486 1.00 11.51 O ATOM 2413 CB ALA A 156 -15.925 4.358 0.767 1.00 55.12 C ATOM 0 H ALA A 156 -14.445 4.344 -1.226 1.00 72.22 H new ATOM 0 HA ALA A 156 -16.592 6.040 -0.413 1.00 21.43 H new ATOM 0 HB1 ALA A 156 -16.527 4.614 1.639 1.00 55.12 H new ATOM 0 HB2 ALA A 156 -16.464 3.636 0.153 1.00 55.12 H new ATOM 0 HB3 ALA A 156 -14.980 3.923 1.094 1.00 55.12 H new ATOM 2419 N VAL A 157 -13.641 6.774 0.836 1.00 50.31 N ATOM 2420 CA VAL A 157 -12.853 7.764 1.638 1.00 14.04 C ATOM 2421 C VAL A 157 -12.994 9.199 1.064 1.00 41.45 C ATOM 2422 O VAL A 157 -13.193 10.167 1.811 1.00 12.21 O ATOM 2423 CB VAL A 157 -11.328 7.352 1.694 1.00 45.21 C ATOM 2424 CG1 VAL A 157 -10.438 8.403 2.416 1.00 34.13 C ATOM 2425 CG2 VAL A 157 -11.162 5.963 2.346 1.00 24.45 C ATOM 0 H VAL A 157 -13.058 6.137 0.294 1.00 50.31 H new ATOM 0 HA VAL A 157 -13.258 7.760 2.650 1.00 14.04 H new ATOM 0 HB VAL A 157 -10.982 7.308 0.661 1.00 45.21 H new ATOM 0 HG11 VAL A 157 -9.403 8.061 2.421 1.00 34.13 H new ATOM 0 HG12 VAL A 157 -10.503 9.356 1.892 1.00 34.13 H new ATOM 0 HG13 VAL A 157 -10.783 8.529 3.442 1.00 34.13 H new ATOM 0 HG21 VAL A 157 -10.105 5.698 2.375 1.00 24.45 H new ATOM 0 HG22 VAL A 157 -11.557 5.988 3.361 1.00 24.45 H new ATOM 0 HG23 VAL A 157 -11.706 5.220 1.763 1.00 24.45 H new ATOM 2435 N LEU A 158 -12.882 9.313 -0.273 1.00 32.52 N ATOM 2436 CA LEU A 158 -12.992 10.606 -0.991 1.00 51.45 C ATOM 2437 C LEU A 158 -14.475 11.002 -1.189 1.00 42.53 C ATOM 2438 O LEU A 158 -14.834 12.182 -1.109 1.00 41.22 O ATOM 2439 CB LEU A 158 -12.255 10.518 -2.357 1.00 23.01 C ATOM 2440 CG LEU A 158 -10.735 10.134 -2.286 1.00 74.24 C ATOM 2441 CD1 LEU A 158 -10.096 10.061 -3.689 1.00 43.11 C ATOM 2442 CD2 LEU A 158 -9.953 11.095 -1.359 1.00 11.22 C ATOM 0 H LEU A 158 -12.713 8.517 -0.888 1.00 32.52 H new ATOM 0 HA LEU A 158 -12.519 11.382 -0.388 1.00 51.45 H new ATOM 0 HB2 LEU A 158 -12.768 9.784 -2.979 1.00 23.01 H new ATOM 0 HB3 LEU A 158 -12.345 11.481 -2.860 1.00 23.01 H new ATOM 0 HG LEU A 158 -10.675 9.136 -1.853 1.00 74.24 H new ATOM 0 HD11 LEU A 158 -9.044 9.792 -3.596 1.00 43.11 H new ATOM 0 HD12 LEU A 158 -10.611 9.308 -4.285 1.00 43.11 H new ATOM 0 HD13 LEU A 158 -10.181 11.031 -4.178 1.00 43.11 H new ATOM 0 HD21 LEU A 158 -8.904 10.801 -1.332 1.00 11.22 H new ATOM 0 HD22 LEU A 158 -10.035 12.114 -1.738 1.00 11.22 H new ATOM 0 HD23 LEU A 158 -10.369 11.048 -0.352 1.00 11.22 H new ATOM 2454 N SER A 159 -15.321 9.992 -1.449 1.00 20.42 N ATOM 2455 CA SER A 159 -16.792 10.147 -1.546 1.00 32.43 C ATOM 2456 C SER A 159 -17.415 9.794 -0.179 1.00 73.40 C ATOM 2457 O SER A 159 -18.167 8.818 -0.044 1.00 52.45 O ATOM 2458 CB SER A 159 -17.355 9.230 -2.667 1.00 54.34 C ATOM 2459 OG SER A 159 -18.725 9.482 -2.952 1.00 73.22 O ATOM 0 H SER A 159 -15.006 9.034 -1.600 1.00 20.42 H new ATOM 0 HA SER A 159 -17.044 11.176 -1.802 1.00 32.43 H new ATOM 0 HB2 SER A 159 -16.768 9.372 -3.575 1.00 54.34 H new ATOM 0 HB3 SER A 159 -17.236 8.188 -2.371 1.00 54.34 H new ATOM 0 HG SER A 159 -19.027 8.880 -3.664 1.00 73.22 H new