USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1287 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 108 THR OG1 : rot -132:sc= 0.907 USER MOD Set 1.2: A 127 SER OG : rot -114:sc= 0.876 USER MOD Set 2.1: A 80 THR OG1 : rot 110:sc= -0.17 USER MOD Set 2.2: A 109 HIS : +bothHN:sc= 0.511 K(o=0.34,f=-1.7!) USER MOD Single : A 1 THR N :NH3+ -117:sc= -0.537 (180deg=-1.3) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 4 SER OG : rot -106:sc= 0.162 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.811 (180deg=-0.732) USER MOD Single : A 13 SER OG : rot 34:sc= 0.169 USER MOD Single : A 15 SER OG : rot 100:sc= -1.3 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.708 K(o=0.71,f=-6.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.371 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= -0.352 X(o=-0.35,f=-0.75) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -43:sc= 0.0264 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -135:sc= -0.0687 (180deg=-0.349) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.38) USER MOD Single : A 98 HIS : no HD1:sc= -0.0996 X(o=-0.1,f=-0.052) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0571 K(o=-0.057,f=-2.7!) USER MOD Single : A 121 THR OG1 : rot 1:sc= 0.338 USER MOD Single : A 123 MET CE :methyl -136:sc= -0.172 (180deg=-1.79) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 112:sc= -1.07 USER MOD Single : A 131 SER OG : rot 172:sc= -0.751 USER MOD Single : A 134 GLN : amide:sc= 1.32 K(o=1.3,f=-5!) USER MOD Single : A 135 MET CE :methyl -175:sc= -0.156 (180deg=-0.163) USER MOD Single : A 136 GLN :FLIP amide:sc= -1.34 F(o=-2.1!,f=-1.3) USER MOD Single : A 137 LYS NZ :NH3+ 140:sc= 0.476 (180deg=0.0152) USER MOD Single : A 138 MET CE :methyl 141:sc= -0.125 (180deg=-2.21!) USER MOD Single : A 141 MET CE :methyl -165:sc= -0.0802 (180deg=-0.478) USER MOD Single : A 143 MET CE :methyl -163:sc= -0.454 (180deg=-0.76) USER MOD Single : A 147 MET CE :methyl -168:sc= 0 (180deg=-0.0417) USER MOD Single : A 153 GLN :FLIP amide:sc= -1.92 F(o=-4.5!,f=-1.9) USER MOD Single : A 159 SER OG : rot -18:sc= 0.208 USER MOD Single : A 163 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 167 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.5) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 169 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 170 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 171 HIS : no HD1:sc= -0.047 X(o=-0.047,f=-0.047) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.359 2.483 -6.884 1.00 30.43 N ATOM 2 CA THR A 1 -11.498 2.692 -8.356 1.00 0.23 C ATOM 3 C THR A 1 -10.227 2.216 -9.083 1.00 23.51 C ATOM 4 O THR A 1 -9.364 3.008 -9.475 1.00 74.22 O ATOM 5 CB THR A 1 -11.771 4.188 -8.697 1.00 62.32 C ATOM 6 OG1 THR A 1 -12.658 4.762 -7.720 1.00 11.21 O ATOM 7 CG2 THR A 1 -12.377 4.377 -10.107 1.00 42.44 C ATOM 0 H1 THR A 1 -12.079 1.806 -6.560 1.00 30.43 H new ATOM 0 H2 THR A 1 -10.412 2.109 -6.674 1.00 30.43 H new ATOM 0 H3 THR A 1 -11.490 3.389 -6.391 1.00 30.43 H new ATOM 0 HA THR A 1 -12.352 2.105 -8.695 1.00 0.23 H new ATOM 0 HB THR A 1 -10.807 4.696 -8.681 1.00 62.32 H new ATOM 0 HG1 THR A 1 -12.823 5.702 -7.941 1.00 11.21 H new ATOM 0 HG21 THR A 1 -12.546 5.438 -10.291 1.00 42.44 H new ATOM 0 HG22 THR A 1 -11.688 3.985 -10.855 1.00 42.44 H new ATOM 0 HG23 THR A 1 -13.324 3.842 -10.171 1.00 42.44 H new ATOM 17 N VAL A 2 -10.111 0.904 -9.208 1.00 42.42 N ATOM 18 CA VAL A 2 -8.982 0.235 -9.879 1.00 53.22 C ATOM 19 C VAL A 2 -9.312 0.000 -11.374 1.00 63.34 C ATOM 20 O VAL A 2 -10.271 -0.705 -11.703 1.00 35.13 O ATOM 21 CB VAL A 2 -8.675 -1.119 -9.151 1.00 2.44 C ATOM 22 CG1 VAL A 2 -7.695 -2.012 -9.954 1.00 2.44 C ATOM 23 CG2 VAL A 2 -8.132 -0.867 -7.723 1.00 21.41 C ATOM 0 H VAL A 2 -10.806 0.252 -8.843 1.00 42.42 H new ATOM 0 HA VAL A 2 -8.097 0.869 -9.828 1.00 53.22 H new ATOM 0 HB VAL A 2 -9.619 -1.659 -9.079 1.00 2.44 H new ATOM 0 HG11 VAL A 2 -7.515 -2.938 -9.407 1.00 2.44 H new ATOM 0 HG12 VAL A 2 -8.128 -2.244 -10.927 1.00 2.44 H new ATOM 0 HG13 VAL A 2 -6.752 -1.483 -10.093 1.00 2.44 H new ATOM 0 HG21 VAL A 2 -7.927 -1.821 -7.238 1.00 21.41 H new ATOM 0 HG22 VAL A 2 -7.213 -0.284 -7.781 1.00 21.41 H new ATOM 0 HG23 VAL A 2 -8.874 -0.318 -7.143 1.00 21.41 H new ATOM 33 N VAL A 3 -8.512 0.605 -12.266 1.00 21.22 N ATOM 34 CA VAL A 3 -8.698 0.496 -13.737 1.00 0.53 C ATOM 35 C VAL A 3 -7.782 -0.588 -14.374 1.00 23.23 C ATOM 36 O VAL A 3 -7.977 -0.951 -15.543 1.00 40.03 O ATOM 37 CB VAL A 3 -8.483 1.898 -14.433 1.00 34.02 C ATOM 38 CG1 VAL A 3 -9.627 2.881 -14.070 1.00 1.33 C ATOM 39 CG2 VAL A 3 -7.111 2.506 -14.051 1.00 25.23 C ATOM 0 H VAL A 3 -7.717 1.185 -11.997 1.00 21.22 H new ATOM 0 HA VAL A 3 -9.726 0.177 -13.906 1.00 0.53 H new ATOM 0 HB VAL A 3 -8.498 1.736 -15.511 1.00 34.02 H new ATOM 0 HG11 VAL A 3 -9.454 3.838 -14.562 1.00 1.33 H new ATOM 0 HG12 VAL A 3 -10.580 2.469 -14.402 1.00 1.33 H new ATOM 0 HG13 VAL A 3 -9.652 3.028 -12.990 1.00 1.33 H new ATOM 0 HG21 VAL A 3 -6.990 3.470 -14.544 1.00 25.23 H new ATOM 0 HG22 VAL A 3 -7.062 2.642 -12.971 1.00 25.23 H new ATOM 0 HG23 VAL A 3 -6.314 1.834 -14.369 1.00 25.23 H new ATOM 49 N SER A 4 -6.784 -1.093 -13.612 1.00 23.12 N ATOM 50 CA SER A 4 -5.910 -2.219 -14.055 1.00 4.31 C ATOM 51 C SER A 4 -5.223 -2.914 -12.855 1.00 4.21 C ATOM 52 O SER A 4 -4.775 -2.259 -11.915 1.00 44.32 O ATOM 53 CB SER A 4 -4.823 -1.732 -15.046 1.00 11.13 C ATOM 54 OG SER A 4 -3.985 -2.802 -15.474 1.00 22.12 O ATOM 0 H SER A 4 -6.559 -0.740 -12.682 1.00 23.12 H new ATOM 0 HA SER A 4 -6.559 -2.937 -14.556 1.00 4.31 H new ATOM 0 HB2 SER A 4 -5.299 -1.273 -15.913 1.00 11.13 H new ATOM 0 HB3 SER A 4 -4.216 -0.961 -14.571 1.00 11.13 H new ATOM 0 HG SER A 4 -3.110 -2.726 -15.039 1.00 22.12 H new ATOM 60 N VAL A 5 -5.171 -4.259 -12.898 1.00 42.24 N ATOM 61 CA VAL A 5 -4.373 -5.092 -11.965 1.00 72.54 C ATOM 62 C VAL A 5 -3.311 -5.881 -12.770 1.00 60.02 C ATOM 63 O VAL A 5 -3.656 -6.722 -13.608 1.00 1.24 O ATOM 64 CB VAL A 5 -5.268 -6.110 -11.154 1.00 23.02 C ATOM 65 CG1 VAL A 5 -4.411 -6.972 -10.185 1.00 21.51 C ATOM 66 CG2 VAL A 5 -6.393 -5.378 -10.389 1.00 43.54 C ATOM 0 H VAL A 5 -5.686 -4.808 -13.587 1.00 42.24 H new ATOM 0 HA VAL A 5 -3.900 -4.422 -11.247 1.00 72.54 H new ATOM 0 HB VAL A 5 -5.733 -6.782 -11.875 1.00 23.02 H new ATOM 0 HG11 VAL A 5 -5.058 -7.662 -9.643 1.00 21.51 H new ATOM 0 HG12 VAL A 5 -3.675 -7.538 -10.756 1.00 21.51 H new ATOM 0 HG13 VAL A 5 -3.899 -6.322 -9.476 1.00 21.51 H new ATOM 0 HG21 VAL A 5 -6.992 -6.105 -9.840 1.00 43.54 H new ATOM 0 HG22 VAL A 5 -5.954 -4.667 -9.689 1.00 43.54 H new ATOM 0 HG23 VAL A 5 -7.028 -4.845 -11.097 1.00 43.54 H new ATOM 76 N ASP A 6 -2.033 -5.587 -12.521 1.00 53.54 N ATOM 77 CA ASP A 6 -0.894 -6.264 -13.179 1.00 32.24 C ATOM 78 C ASP A 6 -0.106 -7.089 -12.141 1.00 24.02 C ATOM 79 O ASP A 6 0.305 -6.551 -11.115 1.00 32.33 O ATOM 80 CB ASP A 6 0.029 -5.215 -13.837 1.00 13.34 C ATOM 81 CG ASP A 6 -0.696 -4.332 -14.858 1.00 1.32 C ATOM 82 OD1 ASP A 6 -0.924 -4.796 -15.994 1.00 22.42 O ATOM 83 OD2 ASP A 6 -1.039 -3.174 -14.528 1.00 30.34 O ATOM 0 H ASP A 6 -1.749 -4.869 -11.854 1.00 53.54 H new ATOM 0 HA ASP A 6 -1.272 -6.935 -13.950 1.00 32.24 H new ATOM 0 HB2 ASP A 6 0.462 -4.583 -13.061 1.00 13.34 H new ATOM 0 HB3 ASP A 6 0.856 -5.726 -14.330 1.00 13.34 H new ATOM 88 N LYS A 7 0.101 -8.390 -12.417 1.00 42.02 N ATOM 89 CA LYS A 7 0.820 -9.304 -11.505 1.00 54.22 C ATOM 90 C LYS A 7 1.854 -10.136 -12.293 1.00 64.02 C ATOM 91 O LYS A 7 1.488 -11.071 -13.014 1.00 51.20 O ATOM 92 CB LYS A 7 -0.194 -10.235 -10.779 1.00 32.12 C ATOM 93 CG LYS A 7 0.434 -11.162 -9.706 1.00 74.24 C ATOM 94 CD LYS A 7 -0.589 -12.136 -9.081 1.00 30.13 C ATOM 95 CE LYS A 7 0.033 -13.072 -8.032 1.00 10.03 C ATOM 96 NZ LYS A 7 -0.948 -14.059 -7.525 1.00 63.24 N ATOM 0 H LYS A 7 -0.223 -8.837 -13.274 1.00 42.02 H new ATOM 0 HA LYS A 7 1.350 -8.716 -10.756 1.00 54.22 H new ATOM 0 HB2 LYS A 7 -0.958 -9.619 -10.305 1.00 32.12 H new ATOM 0 HB3 LYS A 7 -0.698 -10.852 -11.523 1.00 32.12 H new ATOM 0 HG2 LYS A 7 1.245 -11.734 -10.157 1.00 74.24 H new ATOM 0 HG3 LYS A 7 0.875 -10.551 -8.918 1.00 74.24 H new ATOM 0 HD2 LYS A 7 -1.391 -11.562 -8.617 1.00 30.13 H new ATOM 0 HD3 LYS A 7 -1.041 -12.735 -9.871 1.00 30.13 H new ATOM 0 HE2 LYS A 7 0.882 -13.596 -8.470 1.00 10.03 H new ATOM 0 HE3 LYS A 7 0.417 -12.482 -7.200 1.00 10.03 H new ATOM 0 HZ1 LYS A 7 -0.448 -14.913 -7.206 1.00 63.24 H new ATOM 0 HZ2 LYS A 7 -1.474 -13.648 -6.727 1.00 63.24 H new ATOM 0 HZ3 LYS A 7 -1.612 -14.310 -8.285 1.00 63.24 H new ATOM 110 N ASP A 8 3.137 -9.769 -12.175 1.00 33.44 N ATOM 111 CA ASP A 8 4.253 -10.531 -12.767 1.00 34.24 C ATOM 112 C ASP A 8 5.045 -11.238 -11.634 1.00 50.24 C ATOM 113 O ASP A 8 5.671 -10.584 -10.789 1.00 31.14 O ATOM 114 CB ASP A 8 5.172 -9.588 -13.599 1.00 72.12 C ATOM 115 CG ASP A 8 6.072 -10.325 -14.621 1.00 63.41 C ATOM 116 OD1 ASP A 8 6.578 -11.433 -14.324 1.00 61.54 O ATOM 117 OD2 ASP A 8 6.293 -9.784 -15.721 1.00 40.32 O ATOM 0 H ASP A 8 3.434 -8.936 -11.667 1.00 33.44 H new ATOM 0 HA ASP A 8 3.862 -11.289 -13.446 1.00 34.24 H new ATOM 0 HB2 ASP A 8 4.550 -8.868 -14.131 1.00 72.12 H new ATOM 0 HB3 ASP A 8 5.805 -9.020 -12.917 1.00 72.12 H new ATOM 122 N VAL A 9 5.004 -12.577 -11.643 1.00 44.00 N ATOM 123 CA VAL A 9 5.655 -13.435 -10.629 1.00 62.32 C ATOM 124 C VAL A 9 7.170 -13.618 -10.918 1.00 12.23 C ATOM 125 O VAL A 9 7.974 -13.751 -9.988 1.00 21.21 O ATOM 126 CB VAL A 9 4.931 -14.831 -10.554 1.00 14.21 C ATOM 127 CG1 VAL A 9 5.560 -15.750 -9.474 1.00 20.13 C ATOM 128 CG2 VAL A 9 3.408 -14.643 -10.304 1.00 10.53 C ATOM 0 H VAL A 9 4.512 -13.107 -12.362 1.00 44.00 H new ATOM 0 HA VAL A 9 5.567 -12.937 -9.663 1.00 62.32 H new ATOM 0 HB VAL A 9 5.067 -15.325 -11.516 1.00 14.21 H new ATOM 0 HG11 VAL A 9 5.032 -16.703 -9.455 1.00 20.13 H new ATOM 0 HG12 VAL A 9 6.610 -15.922 -9.710 1.00 20.13 H new ATOM 0 HG13 VAL A 9 5.481 -15.271 -8.498 1.00 20.13 H new ATOM 0 HG21 VAL A 9 2.924 -15.619 -10.255 1.00 10.53 H new ATOM 0 HG22 VAL A 9 3.256 -14.115 -9.362 1.00 10.53 H new ATOM 0 HG23 VAL A 9 2.974 -14.063 -11.119 1.00 10.53 H new ATOM 138 N GLU A 10 7.547 -13.586 -12.207 1.00 15.22 N ATOM 139 CA GLU A 10 8.954 -13.778 -12.645 1.00 51.22 C ATOM 140 C GLU A 10 9.782 -12.498 -12.420 1.00 22.35 C ATOM 141 O GLU A 10 10.891 -12.542 -11.884 1.00 32.05 O ATOM 142 CB GLU A 10 9.001 -14.198 -14.137 1.00 50.43 C ATOM 143 CG GLU A 10 8.277 -15.520 -14.427 1.00 64.35 C ATOM 144 CD GLU A 10 8.425 -15.987 -15.885 1.00 31.53 C ATOM 145 OE1 GLU A 10 9.410 -16.693 -16.197 1.00 11.05 O ATOM 146 OE2 GLU A 10 7.563 -15.656 -16.721 1.00 54.33 O ATOM 0 H GLU A 10 6.896 -13.428 -12.976 1.00 15.22 H new ATOM 0 HA GLU A 10 9.392 -14.574 -12.043 1.00 51.22 H new ATOM 0 HB2 GLU A 10 8.555 -13.409 -14.742 1.00 50.43 H new ATOM 0 HB3 GLU A 10 10.042 -14.288 -14.448 1.00 50.43 H new ATOM 0 HG2 GLU A 10 8.666 -16.293 -13.764 1.00 64.35 H new ATOM 0 HG3 GLU A 10 7.218 -15.405 -14.195 1.00 64.35 H new ATOM 153 N ALA A 11 9.213 -11.351 -12.824 1.00 63.50 N ATOM 154 CA ALA A 11 9.832 -10.017 -12.649 1.00 50.05 C ATOM 155 C ALA A 11 9.568 -9.435 -11.241 1.00 34.02 C ATOM 156 O ALA A 11 9.996 -8.313 -10.947 1.00 23.02 O ATOM 157 CB ALA A 11 9.315 -9.070 -13.742 1.00 64.34 C ATOM 0 H ALA A 11 8.304 -11.318 -13.285 1.00 63.50 H new ATOM 0 HA ALA A 11 10.913 -10.125 -12.743 1.00 50.05 H new ATOM 0 HB1 ALA A 11 9.769 -8.087 -13.616 1.00 64.34 H new ATOM 0 HB2 ALA A 11 9.577 -9.468 -14.722 1.00 64.34 H new ATOM 0 HB3 ALA A 11 8.231 -8.982 -13.664 1.00 64.34 H new ATOM 163 N LEU A 12 8.841 -10.209 -10.397 1.00 32.21 N ATOM 164 CA LEU A 12 8.592 -9.893 -8.967 1.00 31.24 C ATOM 165 C LEU A 12 7.906 -8.523 -8.757 1.00 61.43 C ATOM 166 O LEU A 12 8.041 -7.911 -7.707 1.00 71.34 O ATOM 167 CB LEU A 12 9.928 -9.993 -8.164 1.00 62.20 C ATOM 168 CG LEU A 12 10.650 -11.375 -8.244 1.00 30.33 C ATOM 169 CD1 LEU A 12 12.022 -11.342 -7.542 1.00 61.13 C ATOM 170 CD2 LEU A 12 9.756 -12.487 -7.669 1.00 21.23 C ATOM 0 H LEU A 12 8.405 -11.082 -10.694 1.00 32.21 H new ATOM 0 HA LEU A 12 7.888 -10.633 -8.587 1.00 31.24 H new ATOM 0 HB2 LEU A 12 10.610 -9.224 -8.527 1.00 62.20 H new ATOM 0 HB3 LEU A 12 9.722 -9.769 -7.117 1.00 62.20 H new ATOM 0 HG LEU A 12 10.833 -11.594 -9.296 1.00 30.33 H new ATOM 0 HD11 LEU A 12 12.494 -12.322 -7.619 1.00 61.13 H new ATOM 0 HD12 LEU A 12 12.657 -10.595 -8.019 1.00 61.13 H new ATOM 0 HD13 LEU A 12 11.887 -11.086 -6.491 1.00 61.13 H new ATOM 0 HD21 LEU A 12 10.277 -13.442 -7.734 1.00 21.23 H new ATOM 0 HD22 LEU A 12 9.528 -12.268 -6.626 1.00 21.23 H new ATOM 0 HD23 LEU A 12 8.829 -12.540 -8.239 1.00 21.23 H new ATOM 182 N SER A 13 7.141 -8.062 -9.753 1.00 2.21 N ATOM 183 CA SER A 13 6.463 -6.753 -9.697 1.00 35.51 C ATOM 184 C SER A 13 4.939 -6.937 -9.768 1.00 42.50 C ATOM 185 O SER A 13 4.421 -7.558 -10.693 1.00 70.35 O ATOM 186 CB SER A 13 6.947 -5.836 -10.843 1.00 11.12 C ATOM 187 OG SER A 13 6.665 -6.388 -12.125 1.00 61.45 O ATOM 0 H SER A 13 6.972 -8.578 -10.616 1.00 2.21 H new ATOM 0 HA SER A 13 6.714 -6.278 -8.749 1.00 35.51 H new ATOM 0 HB2 SER A 13 6.467 -4.862 -10.755 1.00 11.12 H new ATOM 0 HB3 SER A 13 8.020 -5.672 -10.747 1.00 11.12 H new ATOM 0 HG SER A 13 5.823 -6.887 -12.088 1.00 61.45 H new ATOM 193 N PHE A 14 4.238 -6.400 -8.766 1.00 23.53 N ATOM 194 CA PHE A 14 2.769 -6.380 -8.727 1.00 44.21 C ATOM 195 C PHE A 14 2.296 -4.907 -8.727 1.00 74.54 C ATOM 196 O PHE A 14 2.354 -4.221 -7.710 1.00 71.42 O ATOM 197 CB PHE A 14 2.282 -7.156 -7.466 1.00 51.04 C ATOM 198 CG PHE A 14 0.780 -7.070 -7.224 1.00 45.05 C ATOM 199 CD1 PHE A 14 -0.118 -7.567 -8.165 1.00 41.34 C ATOM 200 CD2 PHE A 14 0.267 -6.465 -6.079 1.00 51.55 C ATOM 201 CE1 PHE A 14 -1.473 -7.467 -7.973 1.00 75.20 C ATOM 202 CE2 PHE A 14 -1.090 -6.371 -5.885 1.00 65.12 C ATOM 203 CZ PHE A 14 -1.960 -6.865 -6.837 1.00 62.24 C ATOM 0 H PHE A 14 4.674 -5.964 -7.953 1.00 23.53 H new ATOM 0 HA PHE A 14 2.343 -6.872 -9.601 1.00 44.21 H new ATOM 0 HB2 PHE A 14 2.564 -8.204 -7.566 1.00 51.04 H new ATOM 0 HB3 PHE A 14 2.803 -6.769 -6.590 1.00 51.04 H new ATOM 0 HD1 PHE A 14 0.258 -8.039 -9.061 1.00 41.34 H new ATOM 0 HD2 PHE A 14 0.942 -6.066 -5.337 1.00 51.55 H new ATOM 0 HE1 PHE A 14 -2.155 -7.860 -8.712 1.00 75.20 H new ATOM 0 HE2 PHE A 14 -1.476 -5.911 -4.988 1.00 65.12 H new ATOM 0 HZ PHE A 14 -3.026 -6.778 -6.689 1.00 62.24 H new ATOM 213 N SER A 15 1.807 -4.438 -9.885 1.00 21.01 N ATOM 214 CA SER A 15 1.460 -3.018 -10.100 1.00 62.12 C ATOM 215 C SER A 15 -0.055 -2.831 -10.318 1.00 1.22 C ATOM 216 O SER A 15 -0.621 -3.352 -11.271 1.00 63.32 O ATOM 217 CB SER A 15 2.261 -2.459 -11.300 1.00 52.04 C ATOM 218 OG SER A 15 2.043 -3.196 -12.484 1.00 4.21 O ATOM 0 H SER A 15 1.640 -5.028 -10.700 1.00 21.01 H new ATOM 0 HA SER A 15 1.728 -2.461 -9.202 1.00 62.12 H new ATOM 0 HB2 SER A 15 1.982 -1.419 -11.466 1.00 52.04 H new ATOM 0 HB3 SER A 15 3.324 -2.469 -11.060 1.00 52.04 H new ATOM 0 HG SER A 15 1.394 -2.725 -13.048 1.00 4.21 H new ATOM 224 N ILE A 16 -0.705 -2.077 -9.417 1.00 30.20 N ATOM 225 CA ILE A 16 -2.142 -1.754 -9.524 1.00 51.25 C ATOM 226 C ILE A 16 -2.301 -0.309 -10.016 1.00 41.24 C ATOM 227 O ILE A 16 -1.850 0.630 -9.350 1.00 61.43 O ATOM 228 CB ILE A 16 -2.872 -1.914 -8.140 1.00 1.32 C ATOM 229 CG1 ILE A 16 -2.723 -3.369 -7.608 1.00 42.04 C ATOM 230 CG2 ILE A 16 -4.372 -1.508 -8.236 1.00 62.32 C ATOM 231 CD1 ILE A 16 -3.220 -3.574 -6.190 1.00 1.30 C ATOM 0 H ILE A 16 -0.254 -1.674 -8.596 1.00 30.20 H new ATOM 0 HA ILE A 16 -2.596 -2.449 -10.231 1.00 51.25 H new ATOM 0 HB ILE A 16 -2.395 -1.237 -7.431 1.00 1.32 H new ATOM 0 HG12 ILE A 16 -3.267 -4.042 -8.271 1.00 42.04 H new ATOM 0 HG13 ILE A 16 -1.672 -3.654 -7.656 1.00 42.04 H new ATOM 0 HG21 ILE A 16 -4.845 -1.631 -7.262 1.00 62.32 H new ATOM 0 HG22 ILE A 16 -4.448 -0.466 -8.547 1.00 62.32 H new ATOM 0 HG23 ILE A 16 -4.875 -2.142 -8.966 1.00 62.32 H new ATOM 0 HD11 ILE A 16 -3.078 -4.615 -5.902 1.00 1.30 H new ATOM 0 HD12 ILE A 16 -2.660 -2.930 -5.512 1.00 1.30 H new ATOM 0 HD13 ILE A 16 -4.280 -3.324 -6.136 1.00 1.30 H new ATOM 243 N VAL A 17 -2.928 -0.144 -11.185 1.00 21.55 N ATOM 244 CA VAL A 17 -3.242 1.175 -11.748 1.00 74.12 C ATOM 245 C VAL A 17 -4.689 1.552 -11.360 1.00 30.14 C ATOM 246 O VAL A 17 -5.628 0.786 -11.600 1.00 70.41 O ATOM 247 CB VAL A 17 -3.078 1.203 -13.314 1.00 70.31 C ATOM 248 CG1 VAL A 17 -3.232 2.648 -13.869 1.00 32.22 C ATOM 249 CG2 VAL A 17 -1.728 0.575 -13.744 1.00 13.23 C ATOM 0 H VAL A 17 -3.233 -0.922 -11.769 1.00 21.55 H new ATOM 0 HA VAL A 17 -2.538 1.899 -11.339 1.00 74.12 H new ATOM 0 HB VAL A 17 -3.876 0.598 -13.744 1.00 70.31 H new ATOM 0 HG11 VAL A 17 -3.114 2.636 -14.953 1.00 32.22 H new ATOM 0 HG12 VAL A 17 -4.220 3.032 -13.616 1.00 32.22 H new ATOM 0 HG13 VAL A 17 -2.470 3.290 -13.428 1.00 32.22 H new ATOM 0 HG21 VAL A 17 -1.641 0.607 -14.830 1.00 13.23 H new ATOM 0 HG22 VAL A 17 -0.907 1.136 -13.297 1.00 13.23 H new ATOM 0 HG23 VAL A 17 -1.685 -0.461 -13.407 1.00 13.23 H new ATOM 259 N ALA A 18 -4.841 2.724 -10.753 1.00 75.41 N ATOM 260 CA ALA A 18 -6.132 3.253 -10.290 1.00 71.30 C ATOM 261 C ALA A 18 -6.261 4.732 -10.685 1.00 54.41 C ATOM 262 O ALA A 18 -5.252 5.402 -10.910 1.00 50.40 O ATOM 263 CB ALA A 18 -6.243 3.071 -8.764 1.00 75.05 C ATOM 0 H ALA A 18 -4.059 3.350 -10.562 1.00 75.41 H new ATOM 0 HA ALA A 18 -6.948 2.706 -10.762 1.00 71.30 H new ATOM 0 HB1 ALA A 18 -7.200 3.463 -8.419 1.00 75.05 H new ATOM 0 HB2 ALA A 18 -6.175 2.011 -8.518 1.00 75.05 H new ATOM 0 HB3 ALA A 18 -5.432 3.610 -8.273 1.00 75.05 H new ATOM 269 N GLU A 19 -7.502 5.235 -10.811 1.00 34.43 N ATOM 270 CA GLU A 19 -7.768 6.670 -11.108 1.00 51.04 C ATOM 271 C GLU A 19 -8.922 7.177 -10.228 1.00 43.23 C ATOM 272 O GLU A 19 -10.006 6.592 -10.221 1.00 34.15 O ATOM 273 CB GLU A 19 -8.098 6.866 -12.620 1.00 54.41 C ATOM 274 CG GLU A 19 -6.915 6.585 -13.572 1.00 33.15 C ATOM 275 CD GLU A 19 -7.271 6.703 -15.057 1.00 33.20 C ATOM 276 OE1 GLU A 19 -7.694 5.695 -15.647 1.00 24.24 O ATOM 277 OE2 GLU A 19 -7.130 7.804 -15.640 1.00 24.13 O ATOM 0 H GLU A 19 -8.347 4.672 -10.713 1.00 34.43 H new ATOM 0 HA GLU A 19 -6.873 7.250 -10.883 1.00 51.04 H new ATOM 0 HB2 GLU A 19 -8.927 6.210 -12.887 1.00 54.41 H new ATOM 0 HB3 GLU A 19 -8.439 7.890 -12.775 1.00 54.41 H new ATOM 0 HG2 GLU A 19 -6.107 7.280 -13.346 1.00 33.15 H new ATOM 0 HG3 GLU A 19 -6.536 5.582 -13.378 1.00 33.15 H new ATOM 284 N PHE A 20 -8.692 8.287 -9.507 1.00 54.31 N ATOM 285 CA PHE A 20 -9.670 8.863 -8.553 1.00 64.31 C ATOM 286 C PHE A 20 -10.057 10.301 -8.966 1.00 74.04 C ATOM 287 O PHE A 20 -9.184 11.104 -9.315 1.00 42.32 O ATOM 288 CB PHE A 20 -9.073 8.840 -7.116 1.00 51.35 C ATOM 289 CG PHE A 20 -8.661 7.438 -6.649 1.00 73.33 C ATOM 290 CD1 PHE A 20 -9.628 6.485 -6.324 1.00 13.22 C ATOM 291 CD2 PHE A 20 -7.315 7.061 -6.572 1.00 23.10 C ATOM 292 CE1 PHE A 20 -9.264 5.211 -5.928 1.00 62.54 C ATOM 293 CE2 PHE A 20 -6.955 5.786 -6.169 1.00 53.30 C ATOM 294 CZ PHE A 20 -7.931 4.861 -5.858 1.00 3.12 C ATOM 0 H PHE A 20 -7.822 8.816 -9.565 1.00 54.31 H new ATOM 0 HA PHE A 20 -10.578 8.259 -8.568 1.00 64.31 H new ATOM 0 HB2 PHE A 20 -8.203 9.496 -7.081 1.00 51.35 H new ATOM 0 HB3 PHE A 20 -9.807 9.246 -6.419 1.00 51.35 H new ATOM 0 HD1 PHE A 20 -10.674 6.746 -6.383 1.00 13.22 H new ATOM 0 HD2 PHE A 20 -6.547 7.775 -6.831 1.00 23.10 H new ATOM 0 HE1 PHE A 20 -10.025 4.488 -5.673 1.00 62.54 H new ATOM 0 HE2 PHE A 20 -5.912 5.516 -6.098 1.00 53.30 H new ATOM 0 HZ PHE A 20 -7.651 3.862 -5.559 1.00 3.12 H new ATOM 304 N ASP A 21 -11.372 10.608 -8.935 1.00 42.43 N ATOM 305 CA ASP A 21 -11.910 11.937 -9.303 1.00 64.13 C ATOM 306 C ASP A 21 -11.614 12.964 -8.189 1.00 31.42 C ATOM 307 O ASP A 21 -12.435 13.195 -7.288 1.00 63.52 O ATOM 308 CB ASP A 21 -13.428 11.833 -9.585 1.00 74.42 C ATOM 309 CG ASP A 21 -13.744 10.876 -10.742 1.00 44.42 C ATOM 310 OD1 ASP A 21 -13.706 9.647 -10.528 1.00 60.33 O ATOM 311 OD2 ASP A 21 -14.020 11.344 -11.867 1.00 41.31 O ATOM 0 H ASP A 21 -12.091 9.941 -8.654 1.00 42.43 H new ATOM 0 HA ASP A 21 -11.419 12.283 -10.212 1.00 64.13 H new ATOM 0 HB2 ASP A 21 -13.939 11.492 -8.685 1.00 74.42 H new ATOM 0 HB3 ASP A 21 -13.820 12.823 -9.818 1.00 74.42 H new ATOM 316 N ALA A 22 -10.412 13.545 -8.261 1.00 22.35 N ATOM 317 CA ALA A 22 -9.851 14.418 -7.213 1.00 60.30 C ATOM 318 C ALA A 22 -8.555 15.088 -7.704 1.00 70.13 C ATOM 319 O ALA A 22 -8.141 14.893 -8.839 1.00 73.12 O ATOM 320 CB ALA A 22 -9.575 13.582 -5.949 1.00 21.23 C ATOM 0 H ALA A 22 -9.789 13.423 -9.059 1.00 22.35 H new ATOM 0 HA ALA A 22 -10.570 15.203 -6.978 1.00 60.30 H new ATOM 0 HB1 ALA A 22 -9.160 14.224 -5.172 1.00 21.23 H new ATOM 0 HB2 ALA A 22 -10.506 13.139 -5.595 1.00 21.23 H new ATOM 0 HB3 ALA A 22 -8.863 12.791 -6.184 1.00 21.23 H new ATOM 326 N ASP A 23 -7.907 15.885 -6.846 1.00 1.13 N ATOM 327 CA ASP A 23 -6.558 16.418 -7.141 1.00 31.42 C ATOM 328 C ASP A 23 -5.472 15.496 -6.542 1.00 15.33 C ATOM 329 O ASP A 23 -5.773 14.562 -5.780 1.00 32.01 O ATOM 330 CB ASP A 23 -6.408 17.865 -6.620 1.00 61.31 C ATOM 331 CG ASP A 23 -6.613 17.971 -5.109 1.00 51.34 C ATOM 332 OD1 ASP A 23 -7.781 18.035 -4.666 1.00 13.05 O ATOM 333 OD2 ASP A 23 -5.610 17.961 -4.355 1.00 74.24 O ATOM 0 H ASP A 23 -8.286 16.178 -5.945 1.00 1.13 H new ATOM 0 HA ASP A 23 -6.427 16.442 -8.223 1.00 31.42 H new ATOM 0 HB2 ASP A 23 -5.416 18.238 -6.875 1.00 61.31 H new ATOM 0 HB3 ASP A 23 -7.130 18.506 -7.126 1.00 61.31 H new ATOM 338 N VAL A 24 -4.216 15.780 -6.904 1.00 3.11 N ATOM 339 CA VAL A 24 -3.041 14.988 -6.486 1.00 52.40 C ATOM 340 C VAL A 24 -2.865 14.953 -4.947 1.00 22.33 C ATOM 341 O VAL A 24 -2.670 13.884 -4.371 1.00 1.22 O ATOM 342 CB VAL A 24 -1.753 15.547 -7.187 1.00 31.43 C ATOM 343 CG1 VAL A 24 -0.470 14.831 -6.721 1.00 1.15 C ATOM 344 CG2 VAL A 24 -1.885 15.465 -8.722 1.00 61.15 C ATOM 0 H VAL A 24 -3.978 16.572 -7.501 1.00 3.11 H new ATOM 0 HA VAL A 24 -3.206 13.957 -6.799 1.00 52.40 H new ATOM 0 HB VAL A 24 -1.665 16.593 -6.893 1.00 31.43 H new ATOM 0 HG11 VAL A 24 0.391 15.256 -7.236 1.00 1.15 H new ATOM 0 HG12 VAL A 24 -0.350 14.962 -5.646 1.00 1.15 H new ATOM 0 HG13 VAL A 24 -0.543 13.768 -6.951 1.00 1.15 H new ATOM 0 HG21 VAL A 24 -0.981 15.858 -9.186 1.00 61.15 H new ATOM 0 HG22 VAL A 24 -2.024 14.426 -9.020 1.00 61.15 H new ATOM 0 HG23 VAL A 24 -2.744 16.053 -9.045 1.00 61.15 H new ATOM 354 N LYS A 25 -2.992 16.122 -4.296 1.00 52.12 N ATOM 355 CA LYS A 25 -2.824 16.242 -2.826 1.00 65.51 C ATOM 356 C LYS A 25 -3.968 15.538 -2.054 1.00 2.24 C ATOM 357 O LYS A 25 -3.772 15.084 -0.925 1.00 74.12 O ATOM 358 CB LYS A 25 -2.744 17.725 -2.389 1.00 30.14 C ATOM 359 CG LYS A 25 -1.603 18.529 -3.045 1.00 0.13 C ATOM 360 CD LYS A 25 -1.337 19.879 -2.343 1.00 54.35 C ATOM 361 CE LYS A 25 -0.821 19.697 -0.902 1.00 32.44 C ATOM 362 NZ LYS A 25 -0.456 20.985 -0.270 1.00 43.43 N ATOM 0 H LYS A 25 -3.211 17.003 -4.761 1.00 52.12 H new ATOM 0 HA LYS A 25 -1.885 15.746 -2.580 1.00 65.51 H new ATOM 0 HB2 LYS A 25 -3.692 18.210 -2.621 1.00 30.14 H new ATOM 0 HB3 LYS A 25 -2.623 17.765 -1.307 1.00 30.14 H new ATOM 0 HG2 LYS A 25 -0.691 17.932 -3.031 1.00 0.13 H new ATOM 0 HG3 LYS A 25 -1.849 18.712 -4.091 1.00 0.13 H new ATOM 0 HD2 LYS A 25 -0.607 20.448 -2.919 1.00 54.35 H new ATOM 0 HD3 LYS A 25 -2.256 20.465 -2.326 1.00 54.35 H new ATOM 0 HE2 LYS A 25 -1.588 19.205 -0.303 1.00 32.44 H new ATOM 0 HE3 LYS A 25 0.048 19.039 -0.910 1.00 32.44 H new ATOM 0 HZ1 LYS A 25 -0.115 20.813 0.697 1.00 43.43 H new ATOM 0 HZ2 LYS A 25 0.294 21.444 -0.825 1.00 43.43 H new ATOM 0 HZ3 LYS A 25 -1.291 21.605 -0.237 1.00 43.43 H new ATOM 376 N ARG A 26 -5.155 15.475 -2.679 1.00 40.13 N ATOM 377 CA ARG A 26 -6.344 14.795 -2.119 1.00 62.35 C ATOM 378 C ARG A 26 -6.101 13.271 -1.983 1.00 13.31 C ATOM 379 O ARG A 26 -6.376 12.673 -0.938 1.00 51.40 O ATOM 380 CB ARG A 26 -7.559 15.069 -3.033 1.00 64.35 C ATOM 381 CG ARG A 26 -8.894 14.436 -2.588 1.00 10.44 C ATOM 382 CD ARG A 26 -9.389 14.954 -1.237 1.00 41.43 C ATOM 383 NE ARG A 26 -10.760 14.508 -0.953 1.00 54.31 N ATOM 384 CZ ARG A 26 -11.450 14.834 0.108 1.00 54.24 C ATOM 385 NH1 ARG A 26 -10.935 15.552 1.053 1.00 41.34 N ATOM 386 NH2 ARG A 26 -12.664 14.437 0.215 1.00 42.34 N ATOM 0 H ARG A 26 -5.322 15.896 -3.593 1.00 40.13 H new ATOM 0 HA ARG A 26 -6.541 15.187 -1.121 1.00 62.35 H new ATOM 0 HB2 ARG A 26 -7.698 16.148 -3.107 1.00 64.35 H new ATOM 0 HB3 ARG A 26 -7.324 14.708 -4.035 1.00 64.35 H new ATOM 0 HG2 ARG A 26 -9.652 14.635 -3.345 1.00 10.44 H new ATOM 0 HG3 ARG A 26 -8.774 13.354 -2.533 1.00 10.44 H new ATOM 0 HD2 ARG A 26 -8.722 14.607 -0.448 1.00 41.43 H new ATOM 0 HD3 ARG A 26 -9.352 16.043 -1.229 1.00 41.43 H new ATOM 0 HE ARG A 26 -11.208 13.897 -1.636 1.00 54.31 H new ATOM 0 HH11 ARG A 26 -9.971 15.876 0.979 1.00 41.34 H new ATOM 0 HH12 ARG A 26 -11.493 15.794 1.872 1.00 41.34 H new ATOM 0 HH21 ARG A 26 -13.083 13.872 -0.524 1.00 42.34 H new ATOM 0 HH22 ARG A 26 -13.211 14.686 1.039 1.00 42.34 H new ATOM 400 N VAL A 27 -5.585 12.664 -3.066 1.00 31.55 N ATOM 401 CA VAL A 27 -5.219 11.230 -3.094 1.00 11.43 C ATOM 402 C VAL A 27 -3.922 10.978 -2.270 1.00 44.34 C ATOM 403 O VAL A 27 -3.709 9.895 -1.750 1.00 65.23 O ATOM 404 CB VAL A 27 -5.063 10.692 -4.568 1.00 22.13 C ATOM 405 CG1 VAL A 27 -4.924 9.143 -4.594 1.00 50.20 C ATOM 406 CG2 VAL A 27 -6.238 11.160 -5.475 1.00 73.40 C ATOM 0 H VAL A 27 -5.409 13.149 -3.946 1.00 31.55 H new ATOM 0 HA VAL A 27 -6.036 10.674 -2.633 1.00 11.43 H new ATOM 0 HB VAL A 27 -4.144 11.118 -4.971 1.00 22.13 H new ATOM 0 HG11 VAL A 27 -4.818 8.804 -5.625 1.00 50.20 H new ATOM 0 HG12 VAL A 27 -4.044 8.847 -4.023 1.00 50.20 H new ATOM 0 HG13 VAL A 27 -5.812 8.691 -4.153 1.00 50.20 H new ATOM 0 HG21 VAL A 27 -6.097 10.770 -6.483 1.00 73.40 H new ATOM 0 HG22 VAL A 27 -7.180 10.789 -5.071 1.00 73.40 H new ATOM 0 HG23 VAL A 27 -6.261 12.249 -5.507 1.00 73.40 H new ATOM 416 N TRP A 28 -3.039 11.987 -2.201 1.00 52.05 N ATOM 417 CA TRP A 28 -1.817 11.951 -1.352 1.00 32.32 C ATOM 418 C TRP A 28 -2.157 11.957 0.160 1.00 12.30 C ATOM 419 O TRP A 28 -1.415 11.390 0.965 1.00 2.20 O ATOM 420 CB TRP A 28 -0.909 13.158 -1.699 1.00 23.30 C ATOM 421 CG TRP A 28 0.434 13.172 -1.001 1.00 72.13 C ATOM 422 CD1 TRP A 28 0.814 13.944 0.066 1.00 61.15 C ATOM 423 CD2 TRP A 28 1.575 12.370 -1.336 1.00 3.41 C ATOM 424 NE1 TRP A 28 2.115 13.677 0.398 1.00 64.55 N ATOM 425 CE2 TRP A 28 2.602 12.716 -0.448 1.00 22.20 C ATOM 426 CE3 TRP A 28 1.825 11.392 -2.306 1.00 43.40 C ATOM 427 CZ2 TRP A 28 3.859 12.131 -0.508 1.00 53.25 C ATOM 428 CZ3 TRP A 28 3.070 10.817 -2.361 1.00 61.22 C ATOM 429 CH2 TRP A 28 4.074 11.187 -1.463 1.00 74.32 C ATOM 0 H TRP A 28 -3.144 12.854 -2.728 1.00 52.05 H new ATOM 0 HA TRP A 28 -1.292 11.019 -1.561 1.00 32.32 H new ATOM 0 HB2 TRP A 28 -0.742 13.169 -2.776 1.00 23.30 H new ATOM 0 HB3 TRP A 28 -1.440 14.076 -1.449 1.00 23.30 H new ATOM 0 HD1 TRP A 28 0.180 14.658 0.571 1.00 61.15 H new ATOM 0 HE1 TRP A 28 2.637 14.122 1.153 1.00 64.55 H new ATOM 0 HE3 TRP A 28 1.052 11.095 -2.999 1.00 43.40 H new ATOM 0 HZ2 TRP A 28 4.640 12.416 0.181 1.00 53.25 H new ATOM 0 HZ3 TRP A 28 3.277 10.067 -3.110 1.00 61.22 H new ATOM 0 HH2 TRP A 28 5.042 10.713 -1.529 1.00 74.32 H new ATOM 440 N ALA A 29 -3.275 12.612 0.525 1.00 2.51 N ATOM 441 CA ALA A 29 -3.717 12.765 1.935 1.00 4.53 C ATOM 442 C ALA A 29 -3.940 11.410 2.657 1.00 74.04 C ATOM 443 O ALA A 29 -3.717 11.300 3.867 1.00 52.41 O ATOM 444 CB ALA A 29 -4.991 13.618 1.981 1.00 2.31 C ATOM 0 H ALA A 29 -3.903 13.053 -0.147 1.00 2.51 H new ATOM 0 HA ALA A 29 -2.912 13.265 2.475 1.00 4.53 H new ATOM 0 HB1 ALA A 29 -5.316 13.731 3.015 1.00 2.31 H new ATOM 0 HB2 ALA A 29 -4.787 14.601 1.556 1.00 2.31 H new ATOM 0 HB3 ALA A 29 -5.777 13.130 1.405 1.00 2.31 H new ATOM 450 N ILE A 30 -4.361 10.387 1.888 1.00 34.33 N ATOM 451 CA ILE A 30 -4.598 9.017 2.414 1.00 22.51 C ATOM 452 C ILE A 30 -3.268 8.281 2.740 1.00 24.03 C ATOM 453 O ILE A 30 -3.280 7.220 3.340 1.00 21.31 O ATOM 454 CB ILE A 30 -5.440 8.153 1.401 1.00 60.41 C ATOM 455 CG1 ILE A 30 -4.559 7.718 0.189 1.00 4.53 C ATOM 456 CG2 ILE A 30 -6.704 8.919 0.943 1.00 43.14 C ATOM 457 CD1 ILE A 30 -5.279 7.050 -0.956 1.00 64.51 C ATOM 0 H ILE A 30 -4.547 10.480 0.889 1.00 34.33 H new ATOM 0 HA ILE A 30 -5.163 9.135 3.339 1.00 22.51 H new ATOM 0 HB ILE A 30 -5.774 7.248 1.909 1.00 60.41 H new ATOM 0 HG12 ILE A 30 -4.048 8.600 -0.196 1.00 4.53 H new ATOM 0 HG13 ILE A 30 -3.789 7.037 0.553 1.00 4.53 H new ATOM 0 HG21 ILE A 30 -7.270 8.303 0.244 1.00 43.14 H new ATOM 0 HG22 ILE A 30 -7.325 9.148 1.809 1.00 43.14 H new ATOM 0 HG23 ILE A 30 -6.409 9.847 0.452 1.00 43.14 H new ATOM 0 HD11 ILE A 30 -4.563 6.794 -1.737 1.00 64.51 H new ATOM 0 HD12 ILE A 30 -5.766 6.143 -0.599 1.00 64.51 H new ATOM 0 HD13 ILE A 30 -6.029 7.730 -1.360 1.00 64.51 H new ATOM 469 N TRP A 31 -2.138 8.831 2.267 1.00 64.34 N ATOM 470 CA TRP A 31 -0.782 8.309 2.554 1.00 15.41 C ATOM 471 C TRP A 31 -0.092 9.130 3.651 1.00 13.21 C ATOM 472 O TRP A 31 0.576 8.571 4.520 1.00 5.21 O ATOM 473 CB TRP A 31 0.076 8.342 1.264 1.00 23.13 C ATOM 474 CG TRP A 31 -0.469 7.452 0.174 1.00 13.41 C ATOM 475 CD1 TRP A 31 -1.138 7.827 -0.964 1.00 2.23 C ATOM 476 CD2 TRP A 31 -0.400 6.020 0.145 1.00 12.22 C ATOM 477 NE1 TRP A 31 -1.489 6.714 -1.684 1.00 35.14 N ATOM 478 CE2 TRP A 31 -1.041 5.596 -1.024 1.00 14.22 C ATOM 479 CE3 TRP A 31 0.148 5.058 1.006 1.00 61.01 C ATOM 480 CZ2 TRP A 31 -1.146 4.252 -1.361 1.00 53.53 C ATOM 481 CZ3 TRP A 31 0.044 3.725 0.670 1.00 42.23 C ATOM 482 CH2 TRP A 31 -0.599 3.332 -0.504 1.00 45.43 C ATOM 0 H TRP A 31 -2.134 9.657 1.669 1.00 64.34 H new ATOM 0 HA TRP A 31 -0.881 7.282 2.906 1.00 15.41 H new ATOM 0 HB2 TRP A 31 0.131 9.367 0.896 1.00 23.13 H new ATOM 0 HB3 TRP A 31 1.094 8.034 1.503 1.00 23.13 H new ATOM 0 HD1 TRP A 31 -1.355 8.846 -1.250 1.00 2.23 H new ATOM 0 HE1 TRP A 31 -2.000 6.716 -2.567 1.00 35.14 H new ATOM 0 HE3 TRP A 31 0.644 5.357 1.918 1.00 61.01 H new ATOM 0 HZ2 TRP A 31 -1.642 3.942 -2.269 1.00 53.53 H new ATOM 0 HZ3 TRP A 31 0.466 2.976 1.324 1.00 42.23 H new ATOM 0 HH2 TRP A 31 -0.667 2.281 -0.743 1.00 45.43 H new ATOM 493 N GLU A 32 -0.252 10.460 3.571 1.00 22.32 N ATOM 494 CA GLU A 32 0.388 11.415 4.493 1.00 72.12 C ATOM 495 C GLU A 32 -0.175 11.267 5.925 1.00 75.01 C ATOM 496 O GLU A 32 0.581 11.113 6.888 1.00 20.52 O ATOM 497 CB GLU A 32 0.198 12.864 3.936 1.00 23.14 C ATOM 498 CG GLU A 32 0.945 14.000 4.690 1.00 30.34 C ATOM 499 CD GLU A 32 0.294 14.458 6.017 1.00 14.11 C ATOM 500 OE1 GLU A 32 -0.853 14.945 5.977 1.00 22.13 O ATOM 501 OE2 GLU A 32 0.937 14.360 7.090 1.00 24.11 O ATOM 0 H GLU A 32 -0.832 10.907 2.861 1.00 22.32 H new ATOM 0 HA GLU A 32 1.455 11.203 4.557 1.00 72.12 H new ATOM 0 HB2 GLU A 32 0.522 12.875 2.895 1.00 23.14 H new ATOM 0 HB3 GLU A 32 -0.867 13.094 3.941 1.00 23.14 H new ATOM 0 HG2 GLU A 32 1.961 13.666 4.900 1.00 30.34 H new ATOM 0 HG3 GLU A 32 1.023 14.862 4.027 1.00 30.34 H new ATOM 508 N ASP A 33 -1.510 11.313 6.043 1.00 75.42 N ATOM 509 CA ASP A 33 -2.186 11.288 7.350 1.00 44.32 C ATOM 510 C ASP A 33 -2.383 9.818 7.847 1.00 63.12 C ATOM 511 O ASP A 33 -2.995 9.007 7.138 1.00 34.01 O ATOM 512 CB ASP A 33 -3.541 12.035 7.250 1.00 61.12 C ATOM 513 CG ASP A 33 -4.177 12.267 8.625 1.00 24.41 C ATOM 514 OD1 ASP A 33 -3.866 13.290 9.267 1.00 62.30 O ATOM 515 OD2 ASP A 33 -4.972 11.420 9.080 1.00 61.10 O ATOM 0 H ASP A 33 -2.145 11.368 5.247 1.00 75.42 H new ATOM 0 HA ASP A 33 -1.561 11.798 8.084 1.00 44.32 H new ATOM 0 HB2 ASP A 33 -3.389 12.994 6.755 1.00 61.12 H new ATOM 0 HB3 ASP A 33 -4.226 11.460 6.627 1.00 61.12 H new ATOM 520 N PRO A 34 -1.852 9.456 9.075 1.00 41.23 N ATOM 521 CA PRO A 34 -2.015 8.094 9.684 1.00 35.12 C ATOM 522 C PRO A 34 -3.492 7.609 9.784 1.00 71.43 C ATOM 523 O PRO A 34 -3.791 6.438 9.515 1.00 51.43 O ATOM 524 CB PRO A 34 -1.397 8.259 11.103 1.00 70.54 C ATOM 525 CG PRO A 34 -0.425 9.394 10.969 1.00 73.11 C ATOM 526 CD PRO A 34 -1.013 10.333 9.941 1.00 53.22 C ATOM 0 HA PRO A 34 -1.536 7.334 9.067 1.00 35.12 H new ATOM 0 HB2 PRO A 34 -2.164 8.481 11.845 1.00 70.54 H new ATOM 0 HB3 PRO A 34 -0.897 7.346 11.425 1.00 70.54 H new ATOM 0 HG2 PRO A 34 -0.284 9.901 11.924 1.00 73.11 H new ATOM 0 HG3 PRO A 34 0.554 9.033 10.652 1.00 73.11 H new ATOM 0 HD2 PRO A 34 -1.610 11.114 10.412 1.00 53.22 H new ATOM 0 HD3 PRO A 34 -0.233 10.831 9.365 1.00 53.22 H new ATOM 534 N ARG A 35 -4.403 8.536 10.164 1.00 44.10 N ATOM 535 CA ARG A 35 -5.852 8.234 10.337 1.00 45.42 C ATOM 536 C ARG A 35 -6.545 7.996 8.966 1.00 72.00 C ATOM 537 O ARG A 35 -7.460 7.171 8.854 1.00 54.11 O ATOM 538 CB ARG A 35 -6.570 9.386 11.094 1.00 73.44 C ATOM 539 CG ARG A 35 -5.951 9.800 12.455 1.00 0.04 C ATOM 540 CD ARG A 35 -6.189 8.791 13.606 1.00 64.13 C ATOM 541 NE ARG A 35 -5.377 7.569 13.490 1.00 0.54 N ATOM 542 CZ ARG A 35 -4.149 7.424 13.940 1.00 2.52 C ATOM 543 NH1 ARG A 35 -3.519 8.380 14.551 1.00 25.02 N ATOM 544 NH2 ARG A 35 -3.554 6.304 13.780 1.00 44.21 N ATOM 0 H ARG A 35 -4.161 9.508 10.359 1.00 44.10 H new ATOM 0 HA ARG A 35 -5.927 7.321 10.927 1.00 45.42 H new ATOM 0 HB2 ARG A 35 -6.590 10.262 10.446 1.00 73.44 H new ATOM 0 HB3 ARG A 35 -7.606 9.092 11.264 1.00 73.44 H new ATOM 0 HG2 ARG A 35 -4.877 9.935 12.325 1.00 0.04 H new ATOM 0 HG3 ARG A 35 -6.361 10.767 12.747 1.00 0.04 H new ATOM 0 HD2 ARG A 35 -5.967 9.277 14.556 1.00 64.13 H new ATOM 0 HD3 ARG A 35 -7.244 8.517 13.626 1.00 64.13 H new ATOM 0 HE ARG A 35 -5.801 6.768 13.022 1.00 0.54 H new ATOM 0 HH11 ARG A 35 -3.976 9.280 14.696 1.00 25.02 H new ATOM 0 HH12 ARG A 35 -2.567 8.231 14.886 1.00 25.02 H new ATOM 0 HH21 ARG A 35 -4.031 5.536 13.308 1.00 44.21 H new ATOM 0 HH22 ARG A 35 -2.602 6.179 14.124 1.00 44.21 H new ATOM 558 N GLN A 36 -6.097 8.742 7.934 1.00 1.11 N ATOM 559 CA GLN A 36 -6.599 8.601 6.545 1.00 32.34 C ATOM 560 C GLN A 36 -6.104 7.304 5.873 1.00 75.35 C ATOM 561 O GLN A 36 -6.783 6.786 5.001 1.00 1.32 O ATOM 562 CB GLN A 36 -6.186 9.820 5.680 1.00 13.12 C ATOM 563 CG GLN A 36 -6.764 11.177 6.134 1.00 65.02 C ATOM 564 CD GLN A 36 -8.232 11.420 5.791 1.00 3.24 C ATOM 565 OE1 GLN A 36 -9.043 10.507 5.692 1.00 2.52 O ATOM 566 NE2 GLN A 36 -8.582 12.681 5.641 1.00 33.43 N ATOM 0 H GLN A 36 -5.378 9.459 8.037 1.00 1.11 H new ATOM 0 HA GLN A 36 -7.686 8.554 6.612 1.00 32.34 H new ATOM 0 HB2 GLN A 36 -5.098 9.890 5.676 1.00 13.12 H new ATOM 0 HB3 GLN A 36 -6.497 9.637 4.652 1.00 13.12 H new ATOM 0 HG2 GLN A 36 -6.644 11.259 7.214 1.00 65.02 H new ATOM 0 HG3 GLN A 36 -6.169 11.973 5.686 1.00 65.02 H new ATOM 0 HE21 GLN A 36 -7.883 13.418 5.730 1.00 33.43 H new ATOM 0 HE22 GLN A 36 -9.552 12.920 5.436 1.00 33.43 H new ATOM 575 N LEU A 37 -4.915 6.818 6.273 1.00 14.42 N ATOM 576 CA LEU A 37 -4.323 5.576 5.720 1.00 11.51 C ATOM 577 C LEU A 37 -5.002 4.313 6.291 1.00 41.14 C ATOM 578 O LEU A 37 -5.439 3.442 5.537 1.00 22.21 O ATOM 579 CB LEU A 37 -2.790 5.571 5.992 1.00 25.35 C ATOM 580 CG LEU A 37 -1.972 4.316 5.526 1.00 65.14 C ATOM 581 CD1 LEU A 37 -2.161 3.982 4.028 1.00 54.54 C ATOM 582 CD2 LEU A 37 -0.482 4.509 5.842 1.00 1.40 C ATOM 0 H LEU A 37 -4.337 7.268 6.983 1.00 14.42 H new ATOM 0 HA LEU A 37 -4.494 5.557 4.644 1.00 11.51 H new ATOM 0 HB2 LEU A 37 -2.361 6.449 5.510 1.00 25.35 H new ATOM 0 HB3 LEU A 37 -2.639 5.691 7.065 1.00 25.35 H new ATOM 0 HG LEU A 37 -2.364 3.466 6.084 1.00 65.14 H new ATOM 0 HD11 LEU A 37 -1.568 3.104 3.773 1.00 54.54 H new ATOM 0 HD12 LEU A 37 -3.213 3.778 3.831 1.00 54.54 H new ATOM 0 HD13 LEU A 37 -1.835 4.828 3.423 1.00 54.54 H new ATOM 0 HD21 LEU A 37 0.076 3.632 5.514 1.00 1.40 H new ATOM 0 HD22 LEU A 37 -0.111 5.391 5.320 1.00 1.40 H new ATOM 0 HD23 LEU A 37 -0.352 4.641 6.916 1.00 1.40 H new ATOM 594 N GLU A 38 -5.120 4.253 7.628 1.00 75.20 N ATOM 595 CA GLU A 38 -5.625 3.057 8.357 1.00 71.23 C ATOM 596 C GLU A 38 -7.086 2.678 7.991 1.00 73.13 C ATOM 597 O GLU A 38 -7.454 1.498 8.019 1.00 11.10 O ATOM 598 CB GLU A 38 -5.512 3.299 9.884 1.00 22.41 C ATOM 599 CG GLU A 38 -6.403 4.438 10.433 1.00 20.31 C ATOM 600 CD GLU A 38 -6.305 4.660 11.949 1.00 21.45 C ATOM 601 OE1 GLU A 38 -5.241 4.363 12.538 1.00 72.40 O ATOM 602 OE2 GLU A 38 -7.273 5.173 12.555 1.00 25.04 O ATOM 0 H GLU A 38 -4.870 5.028 8.242 1.00 75.20 H new ATOM 0 HA GLU A 38 -5.003 2.216 8.051 1.00 71.23 H new ATOM 0 HB2 GLU A 38 -5.768 2.375 10.403 1.00 22.41 H new ATOM 0 HB3 GLU A 38 -4.473 3.522 10.125 1.00 22.41 H new ATOM 0 HG2 GLU A 38 -6.136 5.365 9.926 1.00 20.31 H new ATOM 0 HG3 GLU A 38 -7.441 4.223 10.178 1.00 20.31 H new ATOM 609 N ARG A 39 -7.890 3.690 7.617 1.00 2.20 N ATOM 610 CA ARG A 39 -9.345 3.536 7.368 1.00 4.35 C ATOM 611 C ARG A 39 -9.665 2.839 6.020 1.00 3.04 C ATOM 612 O ARG A 39 -10.834 2.567 5.719 1.00 43.14 O ATOM 613 CB ARG A 39 -10.017 4.928 7.452 1.00 63.24 C ATOM 614 CG ARG A 39 -9.650 5.926 6.334 1.00 31.41 C ATOM 615 CD ARG A 39 -10.056 7.383 6.664 1.00 21.50 C ATOM 616 NE ARG A 39 -11.473 7.537 7.048 1.00 55.20 N ATOM 617 CZ ARG A 39 -12.175 8.647 6.949 1.00 20.15 C ATOM 618 NH1 ARG A 39 -11.688 9.713 6.388 1.00 55.15 N ATOM 619 NH2 ARG A 39 -13.377 8.679 7.421 1.00 32.52 N ATOM 0 H ARG A 39 -7.553 4.643 7.477 1.00 2.20 H new ATOM 0 HA ARG A 39 -9.749 2.878 8.137 1.00 4.35 H new ATOM 0 HB2 ARG A 39 -11.098 4.788 7.446 1.00 63.24 H new ATOM 0 HB3 ARG A 39 -9.759 5.377 8.411 1.00 63.24 H new ATOM 0 HG2 ARG A 39 -8.575 5.886 6.158 1.00 31.41 H new ATOM 0 HG3 ARG A 39 -10.137 5.620 5.408 1.00 31.41 H new ATOM 0 HD2 ARG A 39 -9.428 7.750 7.476 1.00 21.50 H new ATOM 0 HD3 ARG A 39 -9.855 8.011 5.796 1.00 21.50 H new ATOM 0 HE ARG A 39 -11.948 6.715 7.421 1.00 55.20 H new ATOM 0 HH11 ARG A 39 -10.740 9.703 6.011 1.00 55.15 H new ATOM 0 HH12 ARG A 39 -12.253 10.560 6.325 1.00 55.15 H new ATOM 0 HH21 ARG A 39 -13.773 7.850 7.865 1.00 32.52 H new ATOM 0 HH22 ARG A 39 -13.930 9.533 7.350 1.00 32.52 H new ATOM 633 N TRP A 40 -8.624 2.567 5.211 1.00 21.40 N ATOM 634 CA TRP A 40 -8.755 1.773 3.967 1.00 44.33 C ATOM 635 C TRP A 40 -7.654 0.703 3.854 1.00 44.54 C ATOM 636 O TRP A 40 -7.783 -0.208 3.042 1.00 2.33 O ATOM 637 CB TRP A 40 -8.746 2.689 2.714 1.00 13.41 C ATOM 638 CG TRP A 40 -7.460 3.461 2.496 1.00 15.11 C ATOM 639 CD1 TRP A 40 -7.124 4.666 3.027 1.00 73.44 C ATOM 640 CD2 TRP A 40 -6.350 3.074 1.673 1.00 2.04 C ATOM 641 NE1 TRP A 40 -5.876 5.039 2.604 1.00 32.31 N ATOM 642 CE2 TRP A 40 -5.389 4.087 1.759 1.00 2.33 C ATOM 643 CE3 TRP A 40 -6.091 1.972 0.871 1.00 63.12 C ATOM 644 CZ2 TRP A 40 -4.183 4.023 1.074 1.00 31.15 C ATOM 645 CZ3 TRP A 40 -4.902 1.904 0.186 1.00 53.01 C ATOM 646 CH2 TRP A 40 -3.961 2.926 0.291 1.00 1.43 C ATOM 0 H TRP A 40 -7.673 2.887 5.396 1.00 21.40 H new ATOM 0 HA TRP A 40 -9.716 1.261 4.016 1.00 44.33 H new ATOM 0 HB2 TRP A 40 -8.939 2.077 1.833 1.00 13.41 H new ATOM 0 HB3 TRP A 40 -9.569 3.399 2.795 1.00 13.41 H new ATOM 0 HD1 TRP A 40 -7.751 5.246 3.688 1.00 73.44 H new ATOM 0 HE1 TRP A 40 -5.389 5.892 2.878 1.00 32.31 H new ATOM 0 HE3 TRP A 40 -6.816 1.176 0.786 1.00 63.12 H new ATOM 0 HZ2 TRP A 40 -3.449 4.810 1.157 1.00 31.15 H new ATOM 0 HZ3 TRP A 40 -4.695 1.049 -0.441 1.00 53.01 H new ATOM 0 HH2 TRP A 40 -3.035 2.849 -0.259 1.00 1.43 H new ATOM 657 N TRP A 41 -6.577 0.831 4.659 1.00 64.03 N ATOM 658 CA TRP A 41 -5.387 -0.046 4.544 1.00 50.30 C ATOM 659 C TRP A 41 -5.720 -1.511 4.923 1.00 21.23 C ATOM 660 O TRP A 41 -6.127 -1.795 6.058 1.00 43.33 O ATOM 661 CB TRP A 41 -4.213 0.501 5.398 1.00 12.25 C ATOM 662 CG TRP A 41 -2.878 -0.135 5.075 1.00 53.43 C ATOM 663 CD1 TRP A 41 -2.068 -0.872 5.899 1.00 5.13 C ATOM 664 CD2 TRP A 41 -2.212 -0.095 3.802 1.00 54.55 C ATOM 665 NE1 TRP A 41 -0.946 -1.273 5.221 1.00 11.53 N ATOM 666 CE2 TRP A 41 -1.016 -0.810 3.936 1.00 4.40 C ATOM 667 CE3 TRP A 41 -2.518 0.480 2.567 1.00 73.33 C ATOM 668 CZ2 TRP A 41 -0.122 -0.960 2.883 1.00 3.22 C ATOM 669 CZ3 TRP A 41 -1.631 0.332 1.522 1.00 53.31 C ATOM 670 CH2 TRP A 41 -0.445 -0.383 1.685 1.00 13.23 C ATOM 0 H TRP A 41 -6.505 1.533 5.396 1.00 64.03 H new ATOM 0 HA TRP A 41 -5.075 -0.044 3.500 1.00 50.30 H new ATOM 0 HB2 TRP A 41 -4.138 1.578 5.249 1.00 12.25 H new ATOM 0 HB3 TRP A 41 -4.437 0.340 6.453 1.00 12.25 H new ATOM 0 HD1 TRP A 41 -2.282 -1.103 6.932 1.00 5.13 H new ATOM 0 HE1 TRP A 41 -0.183 -1.826 5.611 1.00 11.53 H new ATOM 0 HE3 TRP A 41 -3.436 1.033 2.432 1.00 73.33 H new ATOM 0 HZ2 TRP A 41 0.797 -1.514 3.006 1.00 3.22 H new ATOM 0 HZ3 TRP A 41 -1.858 0.776 0.564 1.00 53.31 H new ATOM 0 HH2 TRP A 41 0.232 -0.483 0.849 1.00 13.23 H new ATOM 681 N GLY A 42 -5.527 -2.424 3.951 1.00 35.43 N ATOM 682 CA GLY A 42 -6.001 -3.812 4.049 1.00 11.25 C ATOM 683 C GLY A 42 -7.429 -3.982 3.507 1.00 53.31 C ATOM 684 O GLY A 42 -8.051 -3.000 3.098 1.00 32.00 O ATOM 0 H GLY A 42 -5.039 -2.217 3.079 1.00 35.43 H new ATOM 0 HA2 GLY A 42 -5.325 -4.464 3.496 1.00 11.25 H new ATOM 0 HA3 GLY A 42 -5.970 -4.131 5.091 1.00 11.25 H new ATOM 688 N PRO A 43 -7.992 -5.223 3.481 1.00 42.14 N ATOM 689 CA PRO A 43 -9.375 -5.457 2.982 1.00 55.12 C ATOM 690 C PRO A 43 -10.468 -4.995 4.001 1.00 13.31 C ATOM 691 O PRO A 43 -10.147 -4.761 5.172 1.00 64.12 O ATOM 692 CB PRO A 43 -9.386 -6.992 2.756 1.00 4.13 C ATOM 693 CG PRO A 43 -8.435 -7.533 3.785 1.00 74.15 C ATOM 694 CD PRO A 43 -7.343 -6.483 3.936 1.00 22.14 C ATOM 0 HA PRO A 43 -9.613 -4.885 2.085 1.00 55.12 H new ATOM 0 HB2 PRO A 43 -10.387 -7.405 2.885 1.00 4.13 H new ATOM 0 HB3 PRO A 43 -9.064 -7.246 1.746 1.00 4.13 H new ATOM 0 HG2 PRO A 43 -8.943 -7.707 4.733 1.00 74.15 H new ATOM 0 HG3 PRO A 43 -8.017 -8.488 3.467 1.00 74.15 H new ATOM 0 HD2 PRO A 43 -7.002 -6.407 4.969 1.00 22.14 H new ATOM 0 HD3 PRO A 43 -6.470 -6.724 3.329 1.00 22.14 H new ATOM 702 N PRO A 44 -11.769 -4.817 3.563 1.00 13.13 N ATOM 703 CA PRO A 44 -12.902 -4.440 4.483 1.00 4.25 C ATOM 704 C PRO A 44 -13.022 -5.319 5.764 1.00 23.33 C ATOM 705 O PRO A 44 -13.483 -4.847 6.811 1.00 14.13 O ATOM 706 CB PRO A 44 -14.150 -4.602 3.576 1.00 0.12 C ATOM 707 CG PRO A 44 -13.645 -4.342 2.188 1.00 34.22 C ATOM 708 CD PRO A 44 -12.234 -4.897 2.147 1.00 73.30 C ATOM 0 HA PRO A 44 -12.760 -3.439 4.890 1.00 4.25 H new ATOM 0 HB2 PRO A 44 -14.576 -5.602 3.662 1.00 0.12 H new ATOM 0 HB3 PRO A 44 -14.934 -3.897 3.851 1.00 0.12 H new ATOM 0 HG2 PRO A 44 -14.277 -4.828 1.445 1.00 34.22 H new ATOM 0 HG3 PRO A 44 -13.652 -3.275 1.964 1.00 34.22 H new ATOM 0 HD2 PRO A 44 -12.220 -5.923 1.780 1.00 73.30 H new ATOM 0 HD3 PRO A 44 -11.595 -4.313 1.484 1.00 73.30 H new ATOM 716 N THR A 45 -12.605 -6.595 5.647 1.00 64.14 N ATOM 717 CA THR A 45 -12.567 -7.557 6.776 1.00 13.13 C ATOM 718 C THR A 45 -11.431 -7.230 7.783 1.00 71.04 C ATOM 719 O THR A 45 -11.616 -7.344 8.997 1.00 13.22 O ATOM 720 CB THR A 45 -12.380 -9.022 6.255 1.00 52.23 C ATOM 721 OG1 THR A 45 -11.225 -9.087 5.399 1.00 14.12 O ATOM 722 CG2 THR A 45 -13.612 -9.539 5.490 1.00 3.03 C ATOM 0 H THR A 45 -12.283 -6.993 4.765 1.00 64.14 H new ATOM 0 HA THR A 45 -13.523 -7.468 7.292 1.00 13.13 H new ATOM 0 HB THR A 45 -12.245 -9.660 7.128 1.00 52.23 H new ATOM 0 HG1 THR A 45 -11.109 -10.005 5.076 1.00 14.12 H new ATOM 0 HG21 THR A 45 -13.428 -10.559 5.151 1.00 3.03 H new ATOM 0 HG22 THR A 45 -14.481 -9.526 6.148 1.00 3.03 H new ATOM 0 HG23 THR A 45 -13.800 -8.899 4.628 1.00 3.03 H new ATOM 730 N TRP A 46 -10.250 -6.829 7.258 1.00 0.15 N ATOM 731 CA TRP A 46 -9.050 -6.503 8.084 1.00 15.34 C ATOM 732 C TRP A 46 -8.580 -5.031 7.854 1.00 24.13 C ATOM 733 O TRP A 46 -7.667 -4.789 7.050 1.00 61.01 O ATOM 734 CB TRP A 46 -7.891 -7.501 7.764 1.00 71.35 C ATOM 735 CG TRP A 46 -8.150 -8.933 8.185 1.00 71.31 C ATOM 736 CD1 TRP A 46 -8.974 -9.843 7.581 1.00 33.24 C ATOM 737 CD2 TRP A 46 -7.552 -9.624 9.292 1.00 13.40 C ATOM 738 NE1 TRP A 46 -8.961 -11.025 8.272 1.00 51.13 N ATOM 739 CE2 TRP A 46 -8.092 -10.921 9.315 1.00 3.51 C ATOM 740 CE3 TRP A 46 -6.628 -9.264 10.271 1.00 1.25 C ATOM 741 CZ2 TRP A 46 -7.736 -11.861 10.272 1.00 62.33 C ATOM 742 CZ3 TRP A 46 -6.271 -10.198 11.220 1.00 15.22 C ATOM 743 CH2 TRP A 46 -6.826 -11.483 11.218 1.00 32.32 C ATOM 0 H TRP A 46 -10.096 -6.721 6.256 1.00 0.15 H new ATOM 0 HA TRP A 46 -9.327 -6.602 9.134 1.00 15.34 H new ATOM 0 HB2 TRP A 46 -7.700 -7.482 6.691 1.00 71.35 H new ATOM 0 HB3 TRP A 46 -6.983 -7.151 8.256 1.00 71.35 H new ATOM 0 HD1 TRP A 46 -9.552 -9.656 6.688 1.00 33.24 H new ATOM 0 HE1 TRP A 46 -9.514 -11.851 8.042 1.00 51.13 H new ATOM 0 HE3 TRP A 46 -6.200 -8.273 10.286 1.00 1.25 H new ATOM 0 HZ2 TRP A 46 -8.162 -12.853 10.269 1.00 62.33 H new ATOM 0 HZ3 TRP A 46 -5.550 -9.933 11.979 1.00 15.22 H new ATOM 0 HH2 TRP A 46 -6.529 -12.189 11.979 1.00 32.32 H new ATOM 754 N PRO A 47 -9.236 -4.015 8.510 1.00 3.12 N ATOM 755 CA PRO A 47 -8.767 -2.606 8.475 1.00 13.13 C ATOM 756 C PRO A 47 -7.609 -2.337 9.476 1.00 60.14 C ATOM 757 O PRO A 47 -7.632 -2.819 10.619 1.00 31.24 O ATOM 758 CB PRO A 47 -10.046 -1.814 8.840 1.00 31.34 C ATOM 759 CG PRO A 47 -10.804 -2.729 9.763 1.00 42.40 C ATOM 760 CD PRO A 47 -10.501 -4.147 9.292 1.00 71.14 C ATOM 0 HA PRO A 47 -8.344 -2.324 7.511 1.00 13.13 H new ATOM 0 HB2 PRO A 47 -9.803 -0.870 9.328 1.00 31.34 H new ATOM 0 HB3 PRO A 47 -10.630 -1.572 7.952 1.00 31.34 H new ATOM 0 HG2 PRO A 47 -10.491 -2.586 10.797 1.00 42.40 H new ATOM 0 HG3 PRO A 47 -11.874 -2.525 9.723 1.00 42.40 H new ATOM 0 HD2 PRO A 47 -10.378 -4.828 10.134 1.00 71.14 H new ATOM 0 HD3 PRO A 47 -11.309 -4.543 8.677 1.00 71.14 H new ATOM 768 N ALA A 48 -6.605 -1.553 9.044 1.00 52.20 N ATOM 769 CA ALA A 48 -5.397 -1.273 9.852 1.00 33.43 C ATOM 770 C ALA A 48 -5.645 -0.207 10.948 1.00 40.30 C ATOM 771 O ALA A 48 -6.687 0.460 10.974 1.00 73.10 O ATOM 772 CB ALA A 48 -4.243 -0.847 8.931 1.00 21.21 C ATOM 0 H ALA A 48 -6.604 -1.097 8.132 1.00 52.20 H new ATOM 0 HA ALA A 48 -5.130 -2.194 10.371 1.00 33.43 H new ATOM 0 HB1 ALA A 48 -3.356 -0.642 9.530 1.00 21.21 H new ATOM 0 HB2 ALA A 48 -4.026 -1.648 8.225 1.00 21.21 H new ATOM 0 HB3 ALA A 48 -4.527 0.052 8.384 1.00 21.21 H new ATOM 778 N THR A 49 -4.668 -0.079 11.864 1.00 74.33 N ATOM 779 CA THR A 49 -4.638 0.973 12.908 1.00 61.01 C ATOM 780 C THR A 49 -3.165 1.338 13.204 1.00 54.12 C ATOM 781 O THR A 49 -2.414 0.511 13.731 1.00 23.25 O ATOM 782 CB THR A 49 -5.353 0.528 14.236 1.00 11.42 C ATOM 783 OG1 THR A 49 -6.710 0.129 13.965 1.00 2.33 O ATOM 784 CG2 THR A 49 -5.366 1.656 15.293 1.00 0.31 C ATOM 0 H THR A 49 -3.866 -0.708 11.904 1.00 74.33 H new ATOM 0 HA THR A 49 -5.184 1.837 12.529 1.00 61.01 H new ATOM 0 HB THR A 49 -4.786 -0.313 14.635 1.00 11.42 H new ATOM 0 HG1 THR A 49 -7.143 -0.147 14.800 1.00 2.33 H new ATOM 0 HG21 THR A 49 -5.869 1.305 16.194 1.00 0.31 H new ATOM 0 HG22 THR A 49 -4.342 1.938 15.536 1.00 0.31 H new ATOM 0 HG23 THR A 49 -5.896 2.521 14.895 1.00 0.31 H new ATOM 792 N PHE A 50 -2.759 2.572 12.844 1.00 15.33 N ATOM 793 CA PHE A 50 -1.348 3.028 12.936 1.00 43.51 C ATOM 794 C PHE A 50 -1.031 3.661 14.312 1.00 34.42 C ATOM 795 O PHE A 50 -1.528 4.736 14.645 1.00 21.53 O ATOM 796 CB PHE A 50 -1.026 4.013 11.767 1.00 74.34 C ATOM 797 CG PHE A 50 -0.799 3.302 10.428 1.00 43.22 C ATOM 798 CD1 PHE A 50 -1.862 2.733 9.723 1.00 21.42 C ATOM 799 CD2 PHE A 50 0.487 3.161 9.900 1.00 50.23 C ATOM 800 CE1 PHE A 50 -1.649 2.049 8.541 1.00 64.20 C ATOM 801 CE2 PHE A 50 0.698 2.483 8.714 1.00 74.21 C ATOM 802 CZ PHE A 50 -0.369 1.922 8.037 1.00 32.33 C ATOM 0 H PHE A 50 -3.394 3.283 12.482 1.00 15.33 H new ATOM 0 HA PHE A 50 -0.705 2.153 12.842 1.00 43.51 H new ATOM 0 HB2 PHE A 50 -1.847 4.722 11.661 1.00 74.34 H new ATOM 0 HB3 PHE A 50 -0.137 4.590 12.021 1.00 74.34 H new ATOM 0 HD1 PHE A 50 -2.867 2.829 10.108 1.00 21.42 H new ATOM 0 HD2 PHE A 50 1.328 3.588 10.426 1.00 50.23 H new ATOM 0 HE1 PHE A 50 -2.483 1.614 8.011 1.00 64.20 H new ATOM 0 HE2 PHE A 50 1.698 2.391 8.316 1.00 74.21 H new ATOM 0 HZ PHE A 50 -0.202 1.385 7.115 1.00 32.33 H new ATOM 812 N GLU A 51 -0.221 2.951 15.115 1.00 41.11 N ATOM 813 CA GLU A 51 0.369 3.490 16.364 1.00 2.32 C ATOM 814 C GLU A 51 1.383 4.589 16.048 1.00 73.34 C ATOM 815 O GLU A 51 1.393 5.663 16.668 1.00 63.11 O ATOM 816 CB GLU A 51 1.054 2.348 17.158 1.00 41.33 C ATOM 817 CG GLU A 51 0.112 1.204 17.572 1.00 22.22 C ATOM 818 CD GLU A 51 -0.985 1.632 18.568 1.00 43.24 C ATOM 819 OE1 GLU A 51 -0.673 1.811 19.764 1.00 33.14 O ATOM 820 OE2 GLU A 51 -2.161 1.779 18.170 1.00 1.11 O ATOM 0 H GLU A 51 0.047 1.986 14.921 1.00 41.11 H new ATOM 0 HA GLU A 51 -0.429 3.920 16.970 1.00 2.32 H new ATOM 0 HB2 GLU A 51 1.862 1.936 16.553 1.00 41.33 H new ATOM 0 HB3 GLU A 51 1.510 2.769 18.054 1.00 41.33 H new ATOM 0 HG2 GLU A 51 -0.360 0.794 16.680 1.00 22.22 H new ATOM 0 HG3 GLU A 51 0.702 0.403 18.017 1.00 22.22 H new ATOM 827 N THR A 52 2.220 4.300 15.057 1.00 13.52 N ATOM 828 CA THR A 52 3.271 5.206 14.601 1.00 0.23 C ATOM 829 C THR A 52 3.227 5.310 13.067 1.00 2.21 C ATOM 830 O THR A 52 2.937 4.326 12.382 1.00 1.43 O ATOM 831 CB THR A 52 4.674 4.700 15.075 1.00 24.51 C ATOM 832 OG1 THR A 52 4.674 4.556 16.508 1.00 4.01 O ATOM 833 CG2 THR A 52 5.792 5.666 14.679 1.00 20.01 C ATOM 0 H THR A 52 2.188 3.420 14.541 1.00 13.52 H new ATOM 0 HA THR A 52 3.104 6.193 15.032 1.00 0.23 H new ATOM 0 HB THR A 52 4.860 3.742 14.589 1.00 24.51 H new ATOM 0 HG1 THR A 52 5.552 4.237 16.805 1.00 4.01 H new ATOM 0 HG21 THR A 52 6.749 5.277 15.027 1.00 20.01 H new ATOM 0 HG22 THR A 52 5.816 5.770 13.594 1.00 20.01 H new ATOM 0 HG23 THR A 52 5.609 6.640 15.133 1.00 20.01 H new ATOM 841 N HIS A 53 3.473 6.517 12.551 1.00 33.41 N ATOM 842 CA HIS A 53 3.550 6.788 11.110 1.00 13.41 C ATOM 843 C HIS A 53 4.272 8.139 10.905 1.00 43.50 C ATOM 844 O HIS A 53 3.649 9.202 10.950 1.00 63.41 O ATOM 845 CB HIS A 53 2.117 6.775 10.506 1.00 64.15 C ATOM 846 CG HIS A 53 2.036 7.018 9.023 1.00 61.35 C ATOM 847 ND1 HIS A 53 2.067 8.287 8.512 1.00 22.24 N ATOM 848 CD2 HIS A 53 1.876 6.139 8.005 1.00 50.44 C ATOM 849 CE1 HIS A 53 1.927 8.158 7.216 1.00 52.11 C ATOM 850 NE2 HIS A 53 1.809 6.878 6.855 1.00 25.15 N ATOM 0 H HIS A 53 3.626 7.344 13.127 1.00 33.41 H new ATOM 0 HA HIS A 53 4.122 6.019 10.590 1.00 13.41 H new ATOM 0 HB2 HIS A 53 1.659 5.810 10.724 1.00 64.15 H new ATOM 0 HB3 HIS A 53 1.521 7.533 11.014 1.00 64.15 H new ATOM 0 HD2 HIS A 53 1.813 5.064 8.085 1.00 50.44 H new ATOM 0 HE1 HIS A 53 1.909 8.987 6.523 1.00 52.11 H new ATOM 0 HE2 HIS A 53 1.692 6.521 5.907 1.00 25.15 H new ATOM 858 N GLU A 54 5.611 8.073 10.746 1.00 31.33 N ATOM 859 CA GLU A 54 6.485 9.270 10.655 1.00 45.05 C ATOM 860 C GLU A 54 6.267 10.051 9.341 1.00 61.41 C ATOM 861 O GLU A 54 6.133 11.279 9.351 1.00 44.53 O ATOM 862 CB GLU A 54 7.979 8.852 10.779 1.00 63.04 C ATOM 863 CG GLU A 54 8.359 8.268 12.153 1.00 34.41 C ATOM 864 CD GLU A 54 9.843 7.875 12.266 1.00 61.12 C ATOM 865 OE1 GLU A 54 10.692 8.768 12.474 1.00 52.34 O ATOM 866 OE2 GLU A 54 10.170 6.676 12.149 1.00 63.40 O ATOM 0 H GLU A 54 6.119 7.191 10.677 1.00 31.33 H new ATOM 0 HA GLU A 54 6.218 9.931 11.480 1.00 45.05 H new ATOM 0 HB2 GLU A 54 8.203 8.114 10.008 1.00 63.04 H new ATOM 0 HB3 GLU A 54 8.606 9.721 10.580 1.00 63.04 H new ATOM 0 HG2 GLU A 54 8.126 9.000 12.927 1.00 34.41 H new ATOM 0 HG3 GLU A 54 7.743 7.390 12.348 1.00 34.41 H new ATOM 873 N PHE A 55 6.246 9.300 8.224 1.00 33.33 N ATOM 874 CA PHE A 55 6.122 9.836 6.853 1.00 22.45 C ATOM 875 C PHE A 55 7.287 10.810 6.515 1.00 62.24 C ATOM 876 O PHE A 55 7.091 12.015 6.355 1.00 53.12 O ATOM 877 CB PHE A 55 4.717 10.479 6.616 1.00 24.44 C ATOM 878 CG PHE A 55 4.299 10.533 5.143 1.00 54.21 C ATOM 879 CD1 PHE A 55 3.900 9.368 4.489 1.00 71.23 C ATOM 880 CD2 PHE A 55 4.309 11.720 4.412 1.00 54.32 C ATOM 881 CE1 PHE A 55 3.523 9.382 3.162 1.00 4.43 C ATOM 882 CE2 PHE A 55 3.929 11.732 3.082 1.00 43.20 C ATOM 883 CZ PHE A 55 3.535 10.560 2.463 1.00 54.12 C ATOM 0 H PHE A 55 6.316 8.283 8.249 1.00 33.33 H new ATOM 0 HA PHE A 55 6.204 8.999 6.159 1.00 22.45 H new ATOM 0 HB2 PHE A 55 3.971 9.914 7.175 1.00 24.44 H new ATOM 0 HB3 PHE A 55 4.719 11.491 7.020 1.00 24.44 H new ATOM 0 HD1 PHE A 55 3.886 8.435 5.033 1.00 71.23 H new ATOM 0 HD2 PHE A 55 4.616 12.639 4.889 1.00 54.32 H new ATOM 0 HE1 PHE A 55 3.219 8.467 2.676 1.00 4.43 H new ATOM 0 HE2 PHE A 55 3.940 12.658 2.526 1.00 43.20 H new ATOM 0 HZ PHE A 55 3.236 10.573 1.425 1.00 54.12 H new ATOM 893 N THR A 56 8.514 10.259 6.493 1.00 4.41 N ATOM 894 CA THR A 56 9.739 10.975 6.039 1.00 51.54 C ATOM 895 C THR A 56 10.686 10.003 5.298 1.00 51.33 C ATOM 896 O THR A 56 10.524 8.785 5.396 1.00 10.34 O ATOM 897 CB THR A 56 10.498 11.662 7.232 1.00 10.22 C ATOM 898 OG1 THR A 56 11.650 12.380 6.749 1.00 14.52 O ATOM 899 CG2 THR A 56 10.934 10.651 8.310 1.00 12.04 C ATOM 0 H THR A 56 8.694 9.300 6.790 1.00 4.41 H new ATOM 0 HA THR A 56 9.420 11.762 5.355 1.00 51.54 H new ATOM 0 HB THR A 56 9.797 12.357 7.693 1.00 10.22 H new ATOM 0 HG1 THR A 56 12.111 12.804 7.503 1.00 14.52 H new ATOM 0 HG21 THR A 56 11.454 11.176 9.112 1.00 12.04 H new ATOM 0 HG22 THR A 56 10.055 10.149 8.715 1.00 12.04 H new ATOM 0 HG23 THR A 56 11.602 9.912 7.867 1.00 12.04 H new ATOM 907 N VAL A 57 11.665 10.547 4.559 1.00 21.21 N ATOM 908 CA VAL A 57 12.661 9.739 3.815 1.00 55.54 C ATOM 909 C VAL A 57 13.624 9.020 4.805 1.00 41.32 C ATOM 910 O VAL A 57 14.439 9.660 5.479 1.00 73.33 O ATOM 911 CB VAL A 57 13.460 10.643 2.797 1.00 51.14 C ATOM 912 CG1 VAL A 57 14.570 9.848 2.060 1.00 63.44 C ATOM 913 CG2 VAL A 57 12.491 11.314 1.783 1.00 44.24 C ATOM 0 H VAL A 57 11.794 11.554 4.456 1.00 21.21 H new ATOM 0 HA VAL A 57 12.134 8.976 3.242 1.00 55.54 H new ATOM 0 HB VAL A 57 13.955 11.424 3.374 1.00 51.14 H new ATOM 0 HG11 VAL A 57 15.094 10.509 1.370 1.00 63.44 H new ATOM 0 HG12 VAL A 57 15.277 9.450 2.788 1.00 63.44 H new ATOM 0 HG13 VAL A 57 14.120 9.026 1.504 1.00 63.44 H new ATOM 0 HG21 VAL A 57 13.061 11.933 1.090 1.00 44.24 H new ATOM 0 HG22 VAL A 57 11.956 10.544 1.227 1.00 44.24 H new ATOM 0 HG23 VAL A 57 11.775 11.936 2.321 1.00 44.24 H new ATOM 923 N GLY A 58 13.498 7.681 4.887 1.00 4.33 N ATOM 924 CA GLY A 58 14.233 6.866 5.877 1.00 13.53 C ATOM 925 C GLY A 58 13.462 6.671 7.194 1.00 24.13 C ATOM 926 O GLY A 58 13.995 6.106 8.157 1.00 31.53 O ATOM 0 H GLY A 58 12.890 7.137 4.275 1.00 4.33 H new ATOM 0 HA2 GLY A 58 14.452 5.890 5.444 1.00 13.53 H new ATOM 0 HA3 GLY A 58 15.190 7.342 6.091 1.00 13.53 H new ATOM 930 N GLY A 59 12.204 7.157 7.229 1.00 10.30 N ATOM 931 CA GLY A 59 11.316 6.989 8.390 1.00 41.31 C ATOM 932 C GLY A 59 10.582 5.655 8.390 1.00 44.51 C ATOM 933 O GLY A 59 10.683 4.889 7.435 1.00 13.31 O ATOM 0 H GLY A 59 11.781 7.673 6.457 1.00 10.30 H new ATOM 0 HA2 GLY A 59 11.903 7.074 9.305 1.00 41.31 H new ATOM 0 HA3 GLY A 59 10.586 7.799 8.403 1.00 41.31 H new ATOM 937 N LYS A 60 9.843 5.364 9.473 1.00 30.42 N ATOM 938 CA LYS A 60 9.098 4.087 9.628 1.00 74.31 C ATOM 939 C LYS A 60 7.636 4.300 10.090 1.00 34.22 C ATOM 940 O LYS A 60 7.215 5.422 10.405 1.00 31.35 O ATOM 941 CB LYS A 60 9.844 3.149 10.624 1.00 62.13 C ATOM 942 CG LYS A 60 11.210 2.633 10.116 1.00 1.20 C ATOM 943 CD LYS A 60 11.832 1.576 11.053 1.00 23.21 C ATOM 944 CE LYS A 60 13.128 0.963 10.495 1.00 52.31 C ATOM 945 NZ LYS A 60 13.719 -0.031 11.430 1.00 24.41 N ATOM 0 H LYS A 60 9.740 5.998 10.266 1.00 30.42 H new ATOM 0 HA LYS A 60 9.056 3.621 8.644 1.00 74.31 H new ATOM 0 HB2 LYS A 60 9.997 3.683 11.562 1.00 62.13 H new ATOM 0 HB3 LYS A 60 9.206 2.293 10.845 1.00 62.13 H new ATOM 0 HG2 LYS A 60 11.085 2.203 9.122 1.00 1.20 H new ATOM 0 HG3 LYS A 60 11.897 3.473 10.016 1.00 1.20 H new ATOM 0 HD2 LYS A 60 12.041 2.034 12.020 1.00 23.21 H new ATOM 0 HD3 LYS A 60 11.107 0.781 11.227 1.00 23.21 H new ATOM 0 HE2 LYS A 60 12.920 0.483 9.539 1.00 52.31 H new ATOM 0 HE3 LYS A 60 13.851 1.756 10.303 1.00 52.31 H new ATOM 0 HZ1 LYS A 60 14.590 -0.421 11.017 1.00 24.41 H new ATOM 0 HZ2 LYS A 60 13.941 0.432 12.334 1.00 24.41 H new ATOM 0 HZ3 LYS A 60 13.039 -0.801 11.593 1.00 24.41 H new ATOM 959 N ALA A 61 6.870 3.190 10.095 1.00 13.24 N ATOM 960 CA ALA A 61 5.470 3.154 10.577 1.00 21.32 C ATOM 961 C ALA A 61 5.158 1.800 11.262 1.00 0.24 C ATOM 962 O ALA A 61 5.622 0.749 10.812 1.00 72.31 O ATOM 963 CB ALA A 61 4.486 3.417 9.415 1.00 22.25 C ATOM 0 H ALA A 61 7.206 2.286 9.763 1.00 13.24 H new ATOM 0 HA ALA A 61 5.345 3.945 11.317 1.00 21.32 H new ATOM 0 HB1 ALA A 61 3.463 3.386 9.790 1.00 22.25 H new ATOM 0 HB2 ALA A 61 4.685 4.398 8.985 1.00 22.25 H new ATOM 0 HB3 ALA A 61 4.615 2.652 8.649 1.00 22.25 H new ATOM 969 N ALA A 62 4.376 1.846 12.354 1.00 55.13 N ATOM 970 CA ALA A 62 3.931 0.649 13.109 1.00 40.24 C ATOM 971 C ALA A 62 2.394 0.560 13.087 1.00 61.34 C ATOM 972 O ALA A 62 1.713 1.536 13.425 1.00 55.11 O ATOM 973 CB ALA A 62 4.435 0.716 14.560 1.00 60.33 C ATOM 0 H ALA A 62 4.028 2.721 12.746 1.00 55.13 H new ATOM 0 HA ALA A 62 4.347 -0.241 12.637 1.00 40.24 H new ATOM 0 HB1 ALA A 62 4.101 -0.169 15.102 1.00 60.33 H new ATOM 0 HB2 ALA A 62 5.524 0.755 14.565 1.00 60.33 H new ATOM 0 HB3 ALA A 62 4.037 1.609 15.042 1.00 60.33 H new ATOM 979 N TYR A 63 1.852 -0.612 12.704 1.00 24.30 N ATOM 980 CA TYR A 63 0.391 -0.814 12.605 1.00 23.11 C ATOM 981 C TYR A 63 -0.023 -2.281 12.833 1.00 5.23 C ATOM 982 O TYR A 63 0.816 -3.174 13.001 1.00 44.24 O ATOM 983 CB TYR A 63 -0.151 -0.312 11.239 1.00 25.13 C ATOM 984 CG TYR A 63 0.302 -1.107 9.996 1.00 14.55 C ATOM 985 CD1 TYR A 63 1.533 -0.860 9.386 1.00 43.24 C ATOM 986 CD2 TYR A 63 -0.521 -2.084 9.420 1.00 50.21 C ATOM 987 CE1 TYR A 63 1.920 -1.548 8.252 1.00 12.02 C ATOM 988 CE2 TYR A 63 -0.128 -2.776 8.292 1.00 34.11 C ATOM 989 CZ TYR A 63 1.088 -2.505 7.711 1.00 54.34 C ATOM 990 OH TYR A 63 1.461 -3.187 6.569 1.00 25.21 O ATOM 0 H TYR A 63 2.403 -1.434 12.458 1.00 24.30 H new ATOM 0 HA TYR A 63 -0.055 -0.222 13.404 1.00 23.11 H new ATOM 0 HB2 TYR A 63 -1.240 -0.325 11.276 1.00 25.13 H new ATOM 0 HB3 TYR A 63 0.151 0.727 11.111 1.00 25.13 H new ATOM 0 HD1 TYR A 63 2.195 -0.118 9.808 1.00 43.24 H new ATOM 0 HD2 TYR A 63 -1.480 -2.300 9.867 1.00 50.21 H new ATOM 0 HE1 TYR A 63 2.873 -1.336 7.790 1.00 12.02 H new ATOM 0 HE2 TYR A 63 -0.775 -3.529 7.867 1.00 34.11 H new ATOM 0 HH TYR A 63 1.856 -2.560 5.928 1.00 25.21 H new ATOM 1000 N TYR A 64 -1.348 -2.491 12.855 1.00 1.32 N ATOM 1001 CA TYR A 64 -1.974 -3.818 12.962 1.00 53.30 C ATOM 1002 C TYR A 64 -3.402 -3.775 12.360 1.00 2.12 C ATOM 1003 O TYR A 64 -4.137 -2.806 12.575 1.00 42.23 O ATOM 1004 CB TYR A 64 -2.004 -4.277 14.451 1.00 2.42 C ATOM 1005 CG TYR A 64 -2.691 -3.282 15.408 1.00 61.24 C ATOM 1006 CD1 TYR A 64 -1.993 -2.197 15.954 1.00 71.21 C ATOM 1007 CD2 TYR A 64 -4.043 -3.414 15.746 1.00 25.03 C ATOM 1008 CE1 TYR A 64 -2.617 -1.300 16.796 1.00 10.24 C ATOM 1009 CE2 TYR A 64 -4.663 -2.517 16.586 1.00 75.10 C ATOM 1010 CZ TYR A 64 -3.948 -1.466 17.110 1.00 50.35 C ATOM 1011 OH TYR A 64 -4.569 -0.573 17.952 1.00 15.10 O ATOM 0 H TYR A 64 -2.026 -1.731 12.798 1.00 1.32 H new ATOM 0 HA TYR A 64 -1.387 -4.543 12.398 1.00 53.30 H new ATOM 0 HB2 TYR A 64 -2.518 -5.236 14.513 1.00 2.42 H new ATOM 0 HB3 TYR A 64 -0.981 -4.441 14.789 1.00 2.42 H new ATOM 0 HD1 TYR A 64 -0.949 -2.061 15.712 1.00 71.21 H new ATOM 0 HD2 TYR A 64 -4.612 -4.237 15.339 1.00 25.03 H new ATOM 0 HE1 TYR A 64 -2.063 -0.469 17.208 1.00 10.24 H new ATOM 0 HE2 TYR A 64 -5.707 -2.638 16.833 1.00 75.10 H new ATOM 0 HH TYR A 64 -5.507 -0.832 18.070 1.00 15.10 H new ATOM 1021 N MET A 65 -3.777 -4.807 11.584 1.00 64.43 N ATOM 1022 CA MET A 65 -5.152 -4.955 11.062 1.00 62.03 C ATOM 1023 C MET A 65 -6.048 -5.688 12.087 1.00 24.13 C ATOM 1024 O MET A 65 -5.845 -6.874 12.357 1.00 1.20 O ATOM 1025 CB MET A 65 -5.160 -5.702 9.697 1.00 1.34 C ATOM 1026 CG MET A 65 -4.574 -4.903 8.520 1.00 74.31 C ATOM 1027 SD MET A 65 -2.786 -4.662 8.626 1.00 33.11 S ATOM 1028 CE MET A 65 -2.168 -6.292 8.202 1.00 52.51 C ATOM 0 H MET A 65 -3.145 -5.556 11.302 1.00 64.43 H new ATOM 0 HA MET A 65 -5.556 -3.956 10.900 1.00 62.03 H new ATOM 0 HB2 MET A 65 -4.598 -6.630 9.803 1.00 1.34 H new ATOM 0 HB3 MET A 65 -6.187 -5.977 9.456 1.00 1.34 H new ATOM 0 HG2 MET A 65 -4.808 -5.420 7.589 1.00 74.31 H new ATOM 0 HG3 MET A 65 -5.061 -3.929 8.475 1.00 74.31 H new ATOM 0 HE1 MET A 65 -1.377 -6.573 8.897 1.00 52.51 H new ATOM 0 HE2 MET A 65 -2.980 -7.016 8.264 1.00 52.51 H new ATOM 0 HE3 MET A 65 -1.771 -6.278 7.187 1.00 52.51 H new ATOM 1038 N THR A 66 -7.020 -4.964 12.675 1.00 50.11 N ATOM 1039 CA THR A 66 -8.014 -5.553 13.601 1.00 62.44 C ATOM 1040 C THR A 66 -9.146 -6.218 12.779 1.00 55.24 C ATOM 1041 O THR A 66 -10.016 -5.539 12.232 1.00 60.52 O ATOM 1042 CB THR A 66 -8.595 -4.478 14.583 1.00 51.12 C ATOM 1043 OG1 THR A 66 -7.519 -3.814 15.271 1.00 41.41 O ATOM 1044 CG2 THR A 66 -9.551 -5.094 15.628 1.00 5.42 C ATOM 0 H THR A 66 -7.140 -3.962 12.525 1.00 50.11 H new ATOM 0 HA THR A 66 -7.518 -6.307 14.212 1.00 62.44 H new ATOM 0 HB THR A 66 -9.163 -3.768 13.982 1.00 51.12 H new ATOM 0 HG1 THR A 66 -7.887 -3.142 15.882 1.00 41.41 H new ATOM 0 HG21 THR A 66 -9.927 -4.309 16.285 1.00 5.42 H new ATOM 0 HG22 THR A 66 -10.388 -5.572 15.119 1.00 5.42 H new ATOM 0 HG23 THR A 66 -9.014 -5.836 16.219 1.00 5.42 H new ATOM 1052 N GLY A 67 -9.099 -7.559 12.697 1.00 72.44 N ATOM 1053 CA GLY A 67 -9.943 -8.340 11.784 1.00 14.40 C ATOM 1054 C GLY A 67 -11.379 -8.606 12.258 1.00 70.34 C ATOM 1055 O GLY A 67 -11.838 -8.004 13.240 1.00 4.40 O ATOM 0 H GLY A 67 -8.473 -8.130 13.264 1.00 72.44 H new ATOM 0 HA2 GLY A 67 -9.988 -7.820 10.827 1.00 14.40 H new ATOM 0 HA3 GLY A 67 -9.458 -9.299 11.603 1.00 14.40 H new ATOM 1059 N PRO A 68 -12.113 -9.558 11.578 1.00 34.43 N ATOM 1060 CA PRO A 68 -13.549 -9.855 11.857 1.00 53.04 C ATOM 1061 C PRO A 68 -13.761 -10.545 13.225 1.00 3.45 C ATOM 1062 O PRO A 68 -14.789 -10.357 13.882 1.00 54.23 O ATOM 1063 CB PRO A 68 -13.974 -10.788 10.675 1.00 33.22 C ATOM 1064 CG PRO A 68 -12.835 -10.746 9.693 1.00 13.53 C ATOM 1065 CD PRO A 68 -11.598 -10.432 10.493 1.00 23.23 C ATOM 0 HA PRO A 68 -14.146 -8.945 11.919 1.00 53.04 H new ATOM 0 HB2 PRO A 68 -14.153 -11.805 11.024 1.00 33.22 H new ATOM 0 HB3 PRO A 68 -14.900 -10.441 10.216 1.00 33.22 H new ATOM 0 HG2 PRO A 68 -12.732 -11.700 9.176 1.00 13.53 H new ATOM 0 HG3 PRO A 68 -13.007 -9.987 8.930 1.00 13.53 H new ATOM 0 HD2 PRO A 68 -11.134 -11.335 10.889 1.00 23.23 H new ATOM 0 HD3 PRO A 68 -10.845 -9.925 9.889 1.00 23.23 H new ATOM 1073 N ASP A 69 -12.768 -11.354 13.630 1.00 34.54 N ATOM 1074 CA ASP A 69 -12.749 -12.032 14.943 1.00 34.13 C ATOM 1075 C ASP A 69 -12.126 -11.108 16.040 1.00 11.32 C ATOM 1076 O ASP A 69 -12.068 -11.477 17.219 1.00 61.15 O ATOM 1077 CB ASP A 69 -11.956 -13.366 14.801 1.00 41.55 C ATOM 1078 CG ASP A 69 -12.166 -14.338 15.975 1.00 13.33 C ATOM 1079 OD1 ASP A 69 -13.197 -15.040 15.997 1.00 32.51 O ATOM 1080 OD2 ASP A 69 -11.320 -14.396 16.891 1.00 53.53 O ATOM 0 H ASP A 69 -11.951 -11.559 13.055 1.00 34.54 H new ATOM 0 HA ASP A 69 -13.768 -12.253 15.260 1.00 34.13 H new ATOM 0 HB2 ASP A 69 -12.254 -13.859 13.875 1.00 41.55 H new ATOM 0 HB3 ASP A 69 -10.893 -13.139 14.714 1.00 41.55 H new ATOM 1085 N GLY A 70 -11.689 -9.893 15.637 1.00 30.42 N ATOM 1086 CA GLY A 70 -10.950 -8.977 16.524 1.00 10.21 C ATOM 1087 C GLY A 70 -9.440 -9.260 16.564 1.00 32.31 C ATOM 1088 O GLY A 70 -8.699 -8.603 17.307 1.00 71.10 O ATOM 0 H GLY A 70 -11.839 -9.526 14.697 1.00 30.42 H new ATOM 0 HA2 GLY A 70 -11.112 -7.951 16.193 1.00 10.21 H new ATOM 0 HA3 GLY A 70 -11.354 -9.054 17.533 1.00 10.21 H new ATOM 1092 N THR A 71 -8.989 -10.240 15.756 1.00 15.24 N ATOM 1093 CA THR A 71 -7.573 -10.681 15.703 1.00 30.34 C ATOM 1094 C THR A 71 -6.668 -9.597 15.066 1.00 0.21 C ATOM 1095 O THR A 71 -6.983 -9.085 14.002 1.00 4.21 O ATOM 1096 CB THR A 71 -7.437 -12.018 14.888 1.00 74.02 C ATOM 1097 OG1 THR A 71 -8.353 -12.995 15.412 1.00 65.33 O ATOM 1098 CG2 THR A 71 -6.000 -12.591 14.930 1.00 2.40 C ATOM 0 H THR A 71 -9.597 -10.753 15.117 1.00 15.24 H new ATOM 0 HA THR A 71 -7.248 -10.849 16.730 1.00 30.34 H new ATOM 0 HB THR A 71 -7.671 -11.791 13.848 1.00 74.02 H new ATOM 0 HG1 THR A 71 -8.269 -13.828 14.903 1.00 65.33 H new ATOM 0 HG21 THR A 71 -5.959 -13.514 14.352 1.00 2.40 H new ATOM 0 HG22 THR A 71 -5.307 -11.866 14.504 1.00 2.40 H new ATOM 0 HG23 THR A 71 -5.721 -12.797 15.963 1.00 2.40 H new ATOM 1106 N LYS A 72 -5.550 -9.255 15.731 1.00 44.32 N ATOM 1107 CA LYS A 72 -4.590 -8.249 15.223 1.00 71.52 C ATOM 1108 C LYS A 72 -3.492 -8.906 14.354 1.00 44.34 C ATOM 1109 O LYS A 72 -2.705 -9.720 14.854 1.00 63.11 O ATOM 1110 CB LYS A 72 -3.934 -7.488 16.405 1.00 35.53 C ATOM 1111 CG LYS A 72 -4.911 -6.647 17.247 1.00 31.50 C ATOM 1112 CD LYS A 72 -4.202 -5.939 18.423 1.00 1.42 C ATOM 1113 CE LYS A 72 -5.153 -5.068 19.259 1.00 32.02 C ATOM 1114 NZ LYS A 72 -4.455 -4.433 20.401 1.00 4.50 N ATOM 0 H LYS A 72 -5.285 -9.662 16.628 1.00 44.32 H new ATOM 0 HA LYS A 72 -5.144 -7.546 14.601 1.00 71.52 H new ATOM 0 HB2 LYS A 72 -3.442 -8.210 17.057 1.00 35.53 H new ATOM 0 HB3 LYS A 72 -3.157 -6.833 16.012 1.00 35.53 H new ATOM 0 HG2 LYS A 72 -5.389 -5.902 16.611 1.00 31.50 H new ATOM 0 HG3 LYS A 72 -5.701 -7.290 17.635 1.00 31.50 H new ATOM 0 HD2 LYS A 72 -3.743 -6.688 19.068 1.00 1.42 H new ATOM 0 HD3 LYS A 72 -3.396 -5.317 18.033 1.00 1.42 H new ATOM 0 HE2 LYS A 72 -5.591 -4.296 18.626 1.00 32.02 H new ATOM 0 HE3 LYS A 72 -5.975 -5.680 19.630 1.00 32.02 H new ATOM 0 HZ1 LYS A 72 -5.129 -3.854 20.941 1.00 4.50 H new ATOM 0 HZ2 LYS A 72 -4.059 -5.170 21.019 1.00 4.50 H new ATOM 0 HZ3 LYS A 72 -3.686 -3.829 20.046 1.00 4.50 H new ATOM 1128 N ALA A 73 -3.451 -8.552 13.054 1.00 5.12 N ATOM 1129 CA ALA A 73 -2.330 -8.918 12.160 1.00 4.40 C ATOM 1130 C ALA A 73 -1.339 -7.737 12.107 1.00 33.33 C ATOM 1131 O ALA A 73 -1.571 -6.753 11.405 1.00 21.41 O ATOM 1132 CB ALA A 73 -2.847 -9.275 10.754 1.00 32.12 C ATOM 0 H ALA A 73 -4.184 -8.010 12.596 1.00 5.12 H new ATOM 0 HA ALA A 73 -1.821 -9.800 12.548 1.00 4.40 H new ATOM 0 HB1 ALA A 73 -2.006 -9.541 10.114 1.00 32.12 H new ATOM 0 HB2 ALA A 73 -3.532 -10.120 10.822 1.00 32.12 H new ATOM 0 HB3 ALA A 73 -3.369 -8.417 10.330 1.00 32.12 H new ATOM 1138 N ARG A 74 -0.246 -7.838 12.875 1.00 20.42 N ATOM 1139 CA ARG A 74 0.734 -6.745 13.023 1.00 23.34 C ATOM 1140 C ARG A 74 1.664 -6.655 11.789 1.00 51.34 C ATOM 1141 O ARG A 74 2.080 -7.675 11.239 1.00 52.40 O ATOM 1142 CB ARG A 74 1.516 -6.941 14.357 1.00 2.41 C ATOM 1143 CG ARG A 74 2.584 -5.859 14.679 1.00 55.42 C ATOM 1144 CD ARG A 74 2.766 -5.627 16.198 1.00 65.51 C ATOM 1145 NE ARG A 74 1.574 -4.971 16.798 1.00 4.35 N ATOM 1146 CZ ARG A 74 0.803 -5.466 17.754 1.00 31.44 C ATOM 1147 NH1 ARG A 74 1.044 -6.615 18.285 1.00 23.40 N ATOM 1148 NH2 ARG A 74 -0.206 -4.781 18.180 1.00 64.00 N ATOM 0 H ARG A 74 -0.014 -8.674 13.411 1.00 20.42 H new ATOM 0 HA ARG A 74 0.215 -5.788 13.072 1.00 23.34 H new ATOM 0 HB2 ARG A 74 0.798 -6.971 15.176 1.00 2.41 H new ATOM 0 HB3 ARG A 74 2.008 -7.913 14.329 1.00 2.41 H new ATOM 0 HG2 ARG A 74 3.538 -6.157 14.245 1.00 55.42 H new ATOM 0 HG3 ARG A 74 2.298 -4.920 14.205 1.00 55.42 H new ATOM 0 HD2 ARG A 74 2.945 -6.581 16.694 1.00 65.51 H new ATOM 0 HD3 ARG A 74 3.647 -5.009 16.369 1.00 65.51 H new ATOM 0 HE ARG A 74 1.326 -4.049 16.438 1.00 4.35 H new ATOM 0 HH11 ARG A 74 1.844 -7.165 17.970 1.00 23.40 H new ATOM 0 HH12 ARG A 74 0.435 -6.975 19.020 1.00 23.40 H new ATOM 0 HH21 ARG A 74 -0.405 -3.864 17.780 1.00 64.00 H new ATOM 0 HH22 ARG A 74 -0.803 -5.157 18.916 1.00 64.00 H new ATOM 1162 N GLY A 75 1.931 -5.419 11.333 1.00 42.34 N ATOM 1163 CA GLY A 75 2.810 -5.165 10.183 1.00 64.12 C ATOM 1164 C GLY A 75 3.651 -3.904 10.363 1.00 64.24 C ATOM 1165 O GLY A 75 3.266 -2.993 11.104 1.00 12.03 O ATOM 0 H GLY A 75 1.544 -4.573 11.751 1.00 42.34 H new ATOM 0 HA2 GLY A 75 3.469 -6.021 10.037 1.00 64.12 H new ATOM 0 HA3 GLY A 75 2.206 -5.070 9.281 1.00 64.12 H new ATOM 1169 N TRP A 76 4.791 -3.839 9.665 1.00 34.14 N ATOM 1170 CA TRP A 76 5.749 -2.709 9.759 1.00 71.04 C ATOM 1171 C TRP A 76 5.974 -2.058 8.369 1.00 24.31 C ATOM 1172 O TRP A 76 5.811 -2.710 7.330 1.00 53.25 O ATOM 1173 CB TRP A 76 7.105 -3.210 10.345 1.00 24.41 C ATOM 1174 CG TRP A 76 7.774 -4.275 9.499 1.00 52.22 C ATOM 1175 CD1 TRP A 76 7.568 -5.623 9.560 1.00 0.10 C ATOM 1176 CD2 TRP A 76 8.733 -4.069 8.447 1.00 25.24 C ATOM 1177 NE1 TRP A 76 8.311 -6.261 8.606 1.00 4.34 N ATOM 1178 CE2 TRP A 76 9.040 -5.330 7.916 1.00 51.05 C ATOM 1179 CE3 TRP A 76 9.355 -2.937 7.903 1.00 3.14 C ATOM 1180 CZ2 TRP A 76 9.933 -5.496 6.867 1.00 20.21 C ATOM 1181 CZ3 TRP A 76 10.243 -3.102 6.862 1.00 4.42 C ATOM 1182 CH2 TRP A 76 10.523 -4.373 6.353 1.00 43.21 C ATOM 0 H TRP A 76 5.085 -4.567 9.014 1.00 34.14 H new ATOM 0 HA TRP A 76 5.329 -1.954 10.424 1.00 71.04 H new ATOM 0 HB2 TRP A 76 7.782 -2.362 10.449 1.00 24.41 H new ATOM 0 HB3 TRP A 76 6.935 -3.607 11.346 1.00 24.41 H new ATOM 0 HD1 TRP A 76 6.911 -6.116 10.262 1.00 0.10 H new ATOM 0 HE1 TRP A 76 8.321 -7.267 8.436 1.00 4.34 H new ATOM 0 HE3 TRP A 76 9.142 -1.953 8.293 1.00 3.14 H new ATOM 0 HZ2 TRP A 76 10.154 -6.476 6.470 1.00 20.21 H new ATOM 0 HZ3 TRP A 76 10.729 -2.238 6.434 1.00 4.42 H new ATOM 0 HH2 TRP A 76 11.221 -4.471 5.535 1.00 43.21 H new ATOM 1193 N TRP A 77 6.341 -0.769 8.374 1.00 1.13 N ATOM 1194 CA TRP A 77 6.804 -0.027 7.169 1.00 31.32 C ATOM 1195 C TRP A 77 8.203 0.591 7.392 1.00 15.24 C ATOM 1196 O TRP A 77 8.632 0.805 8.532 1.00 34.44 O ATOM 1197 CB TRP A 77 5.818 1.126 6.819 1.00 21.33 C ATOM 1198 CG TRP A 77 4.599 0.762 6.003 1.00 43.41 C ATOM 1199 CD1 TRP A 77 4.066 -0.470 5.752 1.00 73.01 C ATOM 1200 CD2 TRP A 77 3.773 1.695 5.309 1.00 52.44 C ATOM 1201 NE1 TRP A 77 2.949 -0.350 4.965 1.00 15.24 N ATOM 1202 CE2 TRP A 77 2.754 0.979 4.679 1.00 23.41 C ATOM 1203 CE3 TRP A 77 3.804 3.079 5.180 1.00 12.11 C ATOM 1204 CZ2 TRP A 77 1.779 1.609 3.913 1.00 75.53 C ATOM 1205 CZ3 TRP A 77 2.841 3.701 4.418 1.00 52.22 C ATOM 1206 CH2 TRP A 77 1.838 2.965 3.798 1.00 42.03 C ATOM 0 H TRP A 77 6.328 -0.197 9.218 1.00 1.13 H new ATOM 0 HA TRP A 77 6.848 -0.747 6.352 1.00 31.32 H new ATOM 0 HB2 TRP A 77 5.479 1.577 7.752 1.00 21.33 H new ATOM 0 HB3 TRP A 77 6.372 1.893 6.277 1.00 21.33 H new ATOM 0 HD1 TRP A 77 4.466 -1.403 6.120 1.00 73.01 H new ATOM 0 HE1 TRP A 77 2.361 -1.120 4.645 1.00 15.24 H new ATOM 0 HE3 TRP A 77 4.573 3.658 5.671 1.00 12.11 H new ATOM 0 HZ2 TRP A 77 1.000 1.041 3.425 1.00 75.53 H new ATOM 0 HZ3 TRP A 77 2.865 4.774 4.300 1.00 52.22 H new ATOM 0 HH2 TRP A 77 1.090 3.479 3.213 1.00 42.03 H new ATOM 1217 N GLN A 78 8.888 0.891 6.274 1.00 13.52 N ATOM 1218 CA GLN A 78 10.038 1.816 6.248 1.00 1.33 C ATOM 1219 C GLN A 78 10.013 2.639 4.937 1.00 42.21 C ATOM 1220 O GLN A 78 10.293 2.112 3.861 1.00 10.10 O ATOM 1221 CB GLN A 78 11.395 1.072 6.407 1.00 52.42 C ATOM 1222 CG GLN A 78 12.621 2.023 6.405 1.00 31.54 C ATOM 1223 CD GLN A 78 13.966 1.322 6.601 1.00 44.21 C ATOM 1224 OE1 GLN A 78 14.151 0.170 6.214 1.00 61.40 O ATOM 1225 NE2 GLN A 78 14.918 2.014 7.201 1.00 54.45 N ATOM 0 H GLN A 78 8.660 0.499 5.361 1.00 13.52 H new ATOM 0 HA GLN A 78 9.948 2.489 7.101 1.00 1.33 H new ATOM 0 HB2 GLN A 78 11.384 0.507 7.339 1.00 52.42 H new ATOM 0 HB3 GLN A 78 11.503 0.350 5.597 1.00 52.42 H new ATOM 0 HG2 GLN A 78 12.643 2.566 5.460 1.00 31.54 H new ATOM 0 HG3 GLN A 78 12.492 2.763 7.195 1.00 31.54 H new ATOM 0 HE21 GLN A 78 14.736 2.968 7.512 1.00 54.45 H new ATOM 0 HE22 GLN A 78 15.835 1.594 7.354 1.00 54.45 H new ATOM 1234 N PHE A 79 9.662 3.934 5.056 1.00 42.34 N ATOM 1235 CA PHE A 79 9.631 4.878 3.918 1.00 23.41 C ATOM 1236 C PHE A 79 11.050 5.079 3.332 1.00 13.32 C ATOM 1237 O PHE A 79 11.983 5.386 4.068 1.00 21.24 O ATOM 1238 CB PHE A 79 9.062 6.247 4.359 1.00 30.02 C ATOM 1239 CG PHE A 79 7.684 6.193 5.003 1.00 14.41 C ATOM 1240 CD1 PHE A 79 6.528 6.257 4.231 1.00 20.24 C ATOM 1241 CD2 PHE A 79 7.547 6.096 6.390 1.00 24.41 C ATOM 1242 CE1 PHE A 79 5.284 6.221 4.823 1.00 53.02 C ATOM 1243 CE2 PHE A 79 6.301 6.060 6.981 1.00 44.22 C ATOM 1244 CZ PHE A 79 5.170 6.128 6.198 1.00 53.43 C ATOM 0 H PHE A 79 9.391 4.357 5.944 1.00 42.34 H new ATOM 0 HA PHE A 79 8.985 4.451 3.151 1.00 23.41 H new ATOM 0 HB2 PHE A 79 9.758 6.703 5.063 1.00 30.02 H new ATOM 0 HB3 PHE A 79 9.014 6.901 3.489 1.00 30.02 H new ATOM 0 HD1 PHE A 79 6.607 6.336 3.157 1.00 20.24 H new ATOM 0 HD2 PHE A 79 8.431 6.048 7.009 1.00 24.41 H new ATOM 0 HE1 PHE A 79 4.395 6.266 4.211 1.00 53.02 H new ATOM 0 HE2 PHE A 79 6.213 5.979 8.054 1.00 44.22 H new ATOM 0 HZ PHE A 79 4.193 6.109 6.658 1.00 53.43 H new ATOM 1254 N THR A 80 11.197 4.892 2.013 1.00 22.33 N ATOM 1255 CA THR A 80 12.506 4.997 1.315 1.00 52.45 C ATOM 1256 C THR A 80 12.663 6.351 0.572 1.00 63.32 C ATOM 1257 O THR A 80 13.682 7.030 0.717 1.00 32.32 O ATOM 1258 CB THR A 80 12.687 3.821 0.298 1.00 52.11 C ATOM 1259 OG1 THR A 80 11.698 3.912 -0.733 1.00 33.43 O ATOM 1260 CG2 THR A 80 12.553 2.444 0.974 1.00 52.33 C ATOM 0 H THR A 80 10.420 4.664 1.393 1.00 22.33 H new ATOM 0 HA THR A 80 13.278 4.938 2.082 1.00 52.45 H new ATOM 0 HB THR A 80 13.691 3.910 -0.116 1.00 52.11 H new ATOM 0 HG1 THR A 80 12.127 4.166 -1.577 1.00 33.43 H new ATOM 0 HG21 THR A 80 12.686 1.659 0.230 1.00 52.33 H new ATOM 0 HG22 THR A 80 13.314 2.343 1.748 1.00 52.33 H new ATOM 0 HG23 THR A 80 11.564 2.354 1.424 1.00 52.33 H new ATOM 1268 N THR A 81 11.631 6.743 -0.201 1.00 33.51 N ATOM 1269 CA THR A 81 11.659 7.961 -1.062 1.00 53.12 C ATOM 1270 C THR A 81 10.298 8.682 -1.002 1.00 20.34 C ATOM 1271 O THR A 81 9.276 8.111 -1.362 1.00 3.45 O ATOM 1272 CB THR A 81 11.994 7.608 -2.561 1.00 31.31 C ATOM 1273 OG1 THR A 81 13.319 7.057 -2.655 1.00 3.32 O ATOM 1274 CG2 THR A 81 11.879 8.822 -3.517 1.00 52.14 C ATOM 0 H THR A 81 10.751 6.230 -0.252 1.00 33.51 H new ATOM 0 HA THR A 81 12.444 8.613 -0.680 1.00 53.12 H new ATOM 0 HB THR A 81 11.250 6.876 -2.876 1.00 31.31 H new ATOM 0 HG1 THR A 81 13.517 6.839 -3.590 1.00 3.32 H new ATOM 0 HG21 THR A 81 12.123 8.510 -4.533 1.00 52.14 H new ATOM 0 HG22 THR A 81 10.861 9.210 -3.491 1.00 52.14 H new ATOM 0 HG23 THR A 81 12.573 9.601 -3.201 1.00 52.14 H new ATOM 1282 N ILE A 82 10.296 9.944 -0.541 1.00 60.34 N ATOM 1283 CA ILE A 82 9.080 10.781 -0.460 1.00 72.30 C ATOM 1284 C ILE A 82 9.377 12.146 -1.111 1.00 12.12 C ATOM 1285 O ILE A 82 10.103 12.972 -0.552 1.00 73.32 O ATOM 1286 CB ILE A 82 8.576 10.988 1.026 1.00 61.32 C ATOM 1287 CG1 ILE A 82 8.379 9.609 1.740 1.00 44.41 C ATOM 1288 CG2 ILE A 82 7.267 11.831 1.054 1.00 22.33 C ATOM 1289 CD1 ILE A 82 7.709 9.669 3.099 1.00 64.34 C ATOM 0 H ILE A 82 11.138 10.417 -0.212 1.00 60.34 H new ATOM 0 HA ILE A 82 8.280 10.264 -0.990 1.00 72.30 H new ATOM 0 HB ILE A 82 9.339 11.542 1.573 1.00 61.32 H new ATOM 0 HG12 ILE A 82 7.787 8.964 1.090 1.00 44.41 H new ATOM 0 HG13 ILE A 82 9.354 9.136 1.855 1.00 44.41 H new ATOM 0 HG21 ILE A 82 6.939 11.960 2.086 1.00 22.33 H new ATOM 0 HG22 ILE A 82 7.454 12.808 0.607 1.00 22.33 H new ATOM 0 HG23 ILE A 82 6.490 11.316 0.489 1.00 22.33 H new ATOM 0 HD11 ILE A 82 7.621 8.662 3.506 1.00 64.34 H new ATOM 0 HD12 ILE A 82 8.308 10.282 3.773 1.00 64.34 H new ATOM 0 HD13 ILE A 82 6.716 10.107 2.996 1.00 64.34 H new ATOM 1301 N GLU A 83 8.854 12.340 -2.324 1.00 34.40 N ATOM 1302 CA GLU A 83 9.019 13.590 -3.089 1.00 52.12 C ATOM 1303 C GLU A 83 7.880 14.580 -2.769 1.00 13.42 C ATOM 1304 O GLU A 83 8.141 15.749 -2.467 1.00 43.35 O ATOM 1305 CB GLU A 83 9.071 13.255 -4.602 1.00 52.41 C ATOM 1306 CG GLU A 83 10.175 12.240 -4.983 1.00 51.12 C ATOM 1307 CD GLU A 83 11.594 12.758 -4.713 1.00 44.40 C ATOM 1308 OE1 GLU A 83 12.124 13.527 -5.546 1.00 3.12 O ATOM 1309 OE2 GLU A 83 12.182 12.403 -3.668 1.00 3.42 O ATOM 0 H GLU A 83 8.301 11.634 -2.810 1.00 34.40 H new ATOM 0 HA GLU A 83 9.954 14.073 -2.803 1.00 52.12 H new ATOM 0 HB2 GLU A 83 8.104 12.857 -4.909 1.00 52.41 H new ATOM 0 HB3 GLU A 83 9.229 14.176 -5.163 1.00 52.41 H new ATOM 0 HG2 GLU A 83 10.020 11.318 -4.424 1.00 51.12 H new ATOM 0 HG3 GLU A 83 10.081 11.991 -6.040 1.00 51.12 H new ATOM 1316 N ALA A 84 6.626 14.073 -2.844 1.00 2.52 N ATOM 1317 CA ALA A 84 5.380 14.833 -2.536 1.00 60.22 C ATOM 1318 C ALA A 84 5.108 16.020 -3.524 1.00 31.05 C ATOM 1319 O ALA A 84 6.029 16.752 -3.891 1.00 23.22 O ATOM 1320 CB ALA A 84 5.363 15.308 -1.064 1.00 12.30 C ATOM 0 H ALA A 84 6.444 13.109 -3.124 1.00 2.52 H new ATOM 0 HA ALA A 84 4.558 14.132 -2.681 1.00 60.22 H new ATOM 0 HB1 ALA A 84 4.443 15.859 -0.870 1.00 12.30 H new ATOM 0 HB2 ALA A 84 5.415 14.444 -0.402 1.00 12.30 H new ATOM 0 HB3 ALA A 84 6.220 15.957 -0.881 1.00 12.30 H new ATOM 1326 N PRO A 85 3.827 16.254 -3.967 1.00 11.22 N ATOM 1327 CA PRO A 85 2.625 15.467 -3.566 1.00 65.43 C ATOM 1328 C PRO A 85 2.344 14.233 -4.468 1.00 3.45 C ATOM 1329 O PRO A 85 1.275 13.638 -4.375 1.00 2.10 O ATOM 1330 CB PRO A 85 1.513 16.525 -3.718 1.00 74.22 C ATOM 1331 CG PRO A 85 1.927 17.314 -4.931 1.00 22.21 C ATOM 1332 CD PRO A 85 3.452 17.360 -4.901 1.00 73.43 C ATOM 0 HA PRO A 85 2.725 15.028 -2.574 1.00 65.43 H new ATOM 0 HB2 PRO A 85 0.537 16.061 -3.857 1.00 74.22 H new ATOM 0 HB3 PRO A 85 1.441 17.159 -2.834 1.00 74.22 H new ATOM 0 HG2 PRO A 85 1.569 16.841 -5.845 1.00 22.21 H new ATOM 0 HG3 PRO A 85 1.506 18.319 -4.906 1.00 22.21 H new ATOM 0 HD2 PRO A 85 3.876 17.206 -5.893 1.00 73.43 H new ATOM 0 HD3 PRO A 85 3.816 18.324 -4.545 1.00 73.43 H new ATOM 1340 N ASP A 86 3.306 13.863 -5.329 1.00 40.04 N ATOM 1341 CA ASP A 86 3.106 12.839 -6.378 1.00 42.40 C ATOM 1342 C ASP A 86 3.804 11.486 -6.065 1.00 63.52 C ATOM 1343 O ASP A 86 3.158 10.435 -6.066 1.00 71.54 O ATOM 1344 CB ASP A 86 3.567 13.416 -7.747 1.00 62.53 C ATOM 1345 CG ASP A 86 5.043 13.849 -7.783 1.00 20.10 C ATOM 1346 OD1 ASP A 86 5.394 14.842 -7.107 1.00 12.42 O ATOM 1347 OD2 ASP A 86 5.861 13.188 -8.463 1.00 53.21 O ATOM 0 H ASP A 86 4.245 14.262 -5.321 1.00 40.04 H new ATOM 0 HA ASP A 86 2.042 12.606 -6.415 1.00 42.40 H new ATOM 0 HB2 ASP A 86 3.401 12.665 -8.520 1.00 62.53 H new ATOM 0 HB3 ASP A 86 2.942 14.274 -7.996 1.00 62.53 H new ATOM 1352 N HIS A 87 5.119 11.512 -5.793 1.00 1.41 N ATOM 1353 CA HIS A 87 5.943 10.279 -5.709 1.00 4.12 C ATOM 1354 C HIS A 87 6.179 9.840 -4.236 1.00 25.13 C ATOM 1355 O HIS A 87 6.636 10.621 -3.399 1.00 22.42 O ATOM 1356 CB HIS A 87 7.282 10.513 -6.456 1.00 72.40 C ATOM 1357 CG HIS A 87 8.116 9.283 -6.770 1.00 1.03 C ATOM 1358 ND1 HIS A 87 9.128 9.299 -7.706 1.00 71.01 N ATOM 1359 CD2 HIS A 87 8.100 8.015 -6.284 1.00 40.54 C ATOM 1360 CE1 HIS A 87 9.693 8.112 -7.775 1.00 74.13 C ATOM 1361 NE2 HIS A 87 9.087 7.316 -6.931 1.00 61.45 N ATOM 0 H HIS A 87 5.642 12.372 -5.626 1.00 1.41 H new ATOM 0 HA HIS A 87 5.404 9.461 -6.188 1.00 4.12 H new ATOM 0 HB2 HIS A 87 7.063 11.023 -7.394 1.00 72.40 H new ATOM 0 HB3 HIS A 87 7.890 11.192 -5.858 1.00 72.40 H new ATOM 0 HD2 HIS A 87 7.433 7.628 -5.528 1.00 40.54 H new ATOM 0 HE1 HIS A 87 10.517 7.841 -8.419 1.00 74.13 H new ATOM 0 HE2 HIS A 87 9.313 6.333 -6.779 1.00 61.45 H new ATOM 1370 N LEU A 88 5.872 8.565 -3.976 1.00 73.22 N ATOM 1371 CA LEU A 88 6.080 7.871 -2.693 1.00 44.12 C ATOM 1372 C LEU A 88 6.717 6.494 -2.967 1.00 74.11 C ATOM 1373 O LEU A 88 6.432 5.862 -3.986 1.00 24.43 O ATOM 1374 CB LEU A 88 4.727 7.685 -1.949 1.00 4.13 C ATOM 1375 CG LEU A 88 4.761 6.894 -0.599 1.00 21.21 C ATOM 1376 CD1 LEU A 88 5.650 7.585 0.454 1.00 22.21 C ATOM 1377 CD2 LEU A 88 3.340 6.669 -0.055 1.00 20.54 C ATOM 0 H LEU A 88 5.454 7.959 -4.682 1.00 73.22 H new ATOM 0 HA LEU A 88 6.740 8.469 -2.064 1.00 44.12 H new ATOM 0 HB2 LEU A 88 4.310 8.673 -1.752 1.00 4.13 H new ATOM 0 HB3 LEU A 88 4.037 7.176 -2.622 1.00 4.13 H new ATOM 0 HG LEU A 88 5.206 5.921 -0.809 1.00 21.21 H new ATOM 0 HD11 LEU A 88 5.644 7.001 1.375 1.00 22.21 H new ATOM 0 HD12 LEU A 88 6.670 7.658 0.077 1.00 22.21 H new ATOM 0 HD13 LEU A 88 5.265 8.585 0.656 1.00 22.21 H new ATOM 0 HD21 LEU A 88 3.393 6.117 0.884 1.00 20.54 H new ATOM 0 HD22 LEU A 88 2.859 7.632 0.117 1.00 20.54 H new ATOM 0 HD23 LEU A 88 2.759 6.098 -0.779 1.00 20.54 H new ATOM 1389 N GLU A 89 7.609 6.072 -2.072 1.00 51.52 N ATOM 1390 CA GLU A 89 8.218 4.731 -2.061 1.00 25.12 C ATOM 1391 C GLU A 89 8.433 4.309 -0.594 1.00 72.11 C ATOM 1392 O GLU A 89 8.822 5.136 0.245 1.00 0.23 O ATOM 1393 CB GLU A 89 9.579 4.702 -2.818 1.00 14.22 C ATOM 1394 CG GLU A 89 9.507 4.903 -4.340 1.00 23.44 C ATOM 1395 CD GLU A 89 10.879 4.903 -5.039 1.00 75.04 C ATOM 1396 OE1 GLU A 89 11.550 3.851 -5.049 1.00 74.31 O ATOM 1397 OE2 GLU A 89 11.295 5.948 -5.578 1.00 4.54 O ATOM 0 H GLU A 89 7.941 6.665 -1.311 1.00 51.52 H new ATOM 0 HA GLU A 89 7.548 4.040 -2.573 1.00 25.12 H new ATOM 0 HB2 GLU A 89 10.222 5.476 -2.399 1.00 14.22 H new ATOM 0 HB3 GLU A 89 10.062 3.745 -2.620 1.00 14.22 H new ATOM 0 HG2 GLU A 89 8.891 4.114 -4.771 1.00 23.44 H new ATOM 0 HG3 GLU A 89 9.005 5.848 -4.548 1.00 23.44 H new ATOM 1404 N PHE A 90 8.196 3.025 -0.299 1.00 50.44 N ATOM 1405 CA PHE A 90 8.373 2.455 1.056 1.00 24.44 C ATOM 1406 C PHE A 90 8.605 0.935 0.985 1.00 72.22 C ATOM 1407 O PHE A 90 8.519 0.333 -0.087 1.00 41.15 O ATOM 1408 CB PHE A 90 7.155 2.798 1.977 1.00 33.42 C ATOM 1409 CG PHE A 90 5.783 2.317 1.484 1.00 53.51 C ATOM 1410 CD1 PHE A 90 5.322 1.027 1.764 1.00 70.11 C ATOM 1411 CD2 PHE A 90 4.952 3.163 0.747 1.00 74.33 C ATOM 1412 CE1 PHE A 90 4.079 0.605 1.322 1.00 41.12 C ATOM 1413 CE2 PHE A 90 3.712 2.739 0.310 1.00 40.44 C ATOM 1414 CZ PHE A 90 3.275 1.463 0.596 1.00 63.43 C ATOM 0 H PHE A 90 7.876 2.346 -0.989 1.00 50.44 H new ATOM 0 HA PHE A 90 9.259 2.910 1.498 1.00 24.44 H new ATOM 0 HB2 PHE A 90 7.337 2.367 2.962 1.00 33.42 H new ATOM 0 HB3 PHE A 90 7.114 3.880 2.105 1.00 33.42 H new ATOM 0 HD1 PHE A 90 5.943 0.351 2.332 1.00 70.11 H new ATOM 0 HD2 PHE A 90 5.284 4.164 0.515 1.00 74.33 H new ATOM 0 HE1 PHE A 90 3.738 -0.395 1.545 1.00 41.12 H new ATOM 0 HE2 PHE A 90 3.083 3.409 -0.257 1.00 40.44 H new ATOM 0 HZ PHE A 90 2.305 1.134 0.253 1.00 63.43 H new ATOM 1424 N ASP A 91 8.897 0.335 2.141 1.00 24.22 N ATOM 1425 CA ASP A 91 9.046 -1.116 2.297 1.00 2.45 C ATOM 1426 C ASP A 91 7.917 -1.647 3.195 1.00 73.10 C ATOM 1427 O ASP A 91 7.969 -1.485 4.420 1.00 75.30 O ATOM 1428 CB ASP A 91 10.426 -1.459 2.913 1.00 11.42 C ATOM 1429 CG ASP A 91 11.616 -1.009 2.053 1.00 75.43 C ATOM 1430 OD1 ASP A 91 11.540 -1.093 0.803 1.00 41.22 O ATOM 1431 OD2 ASP A 91 12.639 -0.568 2.618 1.00 44.02 O ATOM 0 H ASP A 91 9.039 0.851 3.010 1.00 24.22 H new ATOM 0 HA ASP A 91 8.985 -1.589 1.317 1.00 2.45 H new ATOM 0 HB2 ASP A 91 10.502 -0.992 3.895 1.00 11.42 H new ATOM 0 HB3 ASP A 91 10.487 -2.536 3.067 1.00 11.42 H new ATOM 1436 N ASP A 92 6.882 -2.216 2.570 1.00 25.45 N ATOM 1437 CA ASP A 92 5.808 -2.920 3.286 1.00 41.34 C ATOM 1438 C ASP A 92 6.323 -4.301 3.766 1.00 33.15 C ATOM 1439 O ASP A 92 7.137 -4.941 3.086 1.00 1.43 O ATOM 1440 CB ASP A 92 4.567 -3.074 2.361 1.00 21.51 C ATOM 1441 CG ASP A 92 3.361 -3.746 3.059 1.00 31.32 C ATOM 1442 OD1 ASP A 92 2.612 -3.046 3.776 1.00 33.21 O ATOM 1443 OD2 ASP A 92 3.177 -4.979 2.910 1.00 2.53 O ATOM 0 H ASP A 92 6.763 -2.203 1.557 1.00 25.45 H new ATOM 0 HA ASP A 92 5.508 -2.341 4.160 1.00 41.34 H new ATOM 0 HB2 ASP A 92 4.267 -2.090 2.001 1.00 21.51 H new ATOM 0 HB3 ASP A 92 4.845 -3.662 1.487 1.00 21.51 H new ATOM 1448 N GLY A 93 5.867 -4.728 4.946 1.00 12.35 N ATOM 1449 CA GLY A 93 6.238 -6.030 5.494 1.00 4.31 C ATOM 1450 C GLY A 93 5.328 -6.455 6.635 1.00 63.44 C ATOM 1451 O GLY A 93 4.690 -5.619 7.284 1.00 61.03 O ATOM 0 H GLY A 93 5.238 -4.187 5.540 1.00 12.35 H new ATOM 0 HA2 GLY A 93 6.200 -6.779 4.703 1.00 4.31 H new ATOM 0 HA3 GLY A 93 7.268 -5.993 5.848 1.00 4.31 H new ATOM 1455 N PHE A 94 5.284 -7.766 6.894 1.00 43.14 N ATOM 1456 CA PHE A 94 4.516 -8.335 8.017 1.00 31.55 C ATOM 1457 C PHE A 94 5.415 -8.492 9.250 1.00 33.31 C ATOM 1458 O PHE A 94 6.613 -8.778 9.131 1.00 14.33 O ATOM 1459 CB PHE A 94 3.899 -9.694 7.627 1.00 14.15 C ATOM 1460 CG PHE A 94 2.832 -9.596 6.541 1.00 51.35 C ATOM 1461 CD1 PHE A 94 1.521 -9.240 6.863 1.00 10.22 C ATOM 1462 CD2 PHE A 94 3.136 -9.854 5.208 1.00 20.23 C ATOM 1463 CE1 PHE A 94 0.550 -9.148 5.884 1.00 72.53 C ATOM 1464 CE2 PHE A 94 2.165 -9.760 4.230 1.00 42.42 C ATOM 1465 CZ PHE A 94 0.872 -9.411 4.567 1.00 61.10 C ATOM 0 H PHE A 94 5.776 -8.464 6.336 1.00 43.14 H new ATOM 0 HA PHE A 94 3.704 -7.649 8.259 1.00 31.55 H new ATOM 0 HB2 PHE A 94 4.693 -10.358 7.285 1.00 14.15 H new ATOM 0 HB3 PHE A 94 3.461 -10.152 8.514 1.00 14.15 H new ATOM 0 HD1 PHE A 94 1.262 -9.034 7.891 1.00 10.22 H new ATOM 0 HD2 PHE A 94 4.143 -10.131 4.935 1.00 20.23 H new ATOM 0 HE1 PHE A 94 -0.460 -8.871 6.149 1.00 72.53 H new ATOM 0 HE2 PHE A 94 2.418 -9.960 3.199 1.00 42.42 H new ATOM 0 HZ PHE A 94 0.113 -9.344 3.801 1.00 61.10 H new ATOM 1475 N ALA A 95 4.818 -8.296 10.426 1.00 73.23 N ATOM 1476 CA ALA A 95 5.509 -8.390 11.718 1.00 51.10 C ATOM 1477 C ALA A 95 4.821 -9.428 12.625 1.00 45.22 C ATOM 1478 O ALA A 95 3.606 -9.638 12.558 1.00 4.32 O ATOM 1479 CB ALA A 95 5.542 -7.007 12.400 1.00 33.21 C ATOM 0 H ALA A 95 3.828 -8.064 10.512 1.00 73.23 H new ATOM 0 HA ALA A 95 6.534 -8.718 11.545 1.00 51.10 H new ATOM 0 HB1 ALA A 95 6.056 -7.086 13.358 1.00 33.21 H new ATOM 0 HB2 ALA A 95 6.070 -6.299 11.762 1.00 33.21 H new ATOM 0 HB3 ALA A 95 4.523 -6.657 12.563 1.00 33.21 H new ATOM 1485 N ASP A 96 5.639 -10.085 13.447 1.00 64.34 N ATOM 1486 CA ASP A 96 5.198 -10.976 14.533 1.00 32.12 C ATOM 1487 C ASP A 96 4.362 -10.174 15.586 1.00 23.40 C ATOM 1488 O ASP A 96 4.371 -8.938 15.590 1.00 71.13 O ATOM 1489 CB ASP A 96 6.485 -11.657 15.114 1.00 53.04 C ATOM 1490 CG ASP A 96 6.430 -12.002 16.606 1.00 54.34 C ATOM 1491 OD1 ASP A 96 5.780 -12.998 16.990 1.00 71.52 O ATOM 1492 OD2 ASP A 96 7.025 -11.253 17.408 1.00 71.25 O ATOM 0 H ASP A 96 6.654 -10.014 13.379 1.00 64.34 H new ATOM 0 HA ASP A 96 4.526 -11.759 14.183 1.00 32.12 H new ATOM 0 HB2 ASP A 96 6.676 -12.572 14.554 1.00 53.04 H new ATOM 0 HB3 ASP A 96 7.334 -10.996 14.942 1.00 53.04 H new ATOM 1497 N GLU A 97 3.629 -10.884 16.465 1.00 72.44 N ATOM 1498 CA GLU A 97 2.762 -10.267 17.509 1.00 1.22 C ATOM 1499 C GLU A 97 3.525 -9.292 18.463 1.00 73.33 C ATOM 1500 O GLU A 97 2.903 -8.439 19.101 1.00 51.43 O ATOM 1501 CB GLU A 97 2.079 -11.386 18.341 1.00 21.01 C ATOM 1502 CG GLU A 97 3.066 -12.287 19.109 1.00 50.21 C ATOM 1503 CD GLU A 97 2.388 -13.287 20.055 1.00 73.54 C ATOM 1504 OE1 GLU A 97 2.058 -12.901 21.194 1.00 4.05 O ATOM 1505 OE2 GLU A 97 2.185 -14.458 19.672 1.00 40.42 O ATOM 0 H GLU A 97 3.616 -11.904 16.478 1.00 72.44 H new ATOM 0 HA GLU A 97 2.020 -9.665 16.984 1.00 1.22 H new ATOM 0 HB2 GLU A 97 1.392 -10.928 19.053 1.00 21.01 H new ATOM 0 HB3 GLU A 97 1.480 -12.006 17.674 1.00 21.01 H new ATOM 0 HG2 GLU A 97 3.675 -12.836 18.391 1.00 50.21 H new ATOM 0 HG3 GLU A 97 3.743 -11.658 19.686 1.00 50.21 H new ATOM 1512 N HIS A 98 4.858 -9.439 18.573 1.00 44.43 N ATOM 1513 CA HIS A 98 5.715 -8.539 19.395 1.00 33.12 C ATOM 1514 C HIS A 98 6.402 -7.447 18.522 1.00 51.55 C ATOM 1515 O HIS A 98 7.026 -6.517 19.053 1.00 60.15 O ATOM 1516 CB HIS A 98 6.779 -9.372 20.163 1.00 40.34 C ATOM 1517 CG HIS A 98 6.241 -10.604 20.848 1.00 13.11 C ATOM 1518 ND1 HIS A 98 5.454 -10.565 21.978 1.00 63.21 N ATOM 1519 CD2 HIS A 98 6.367 -11.917 20.536 1.00 45.33 C ATOM 1520 CE1 HIS A 98 5.123 -11.791 22.332 1.00 24.55 C ATOM 1521 NE2 HIS A 98 5.660 -12.629 21.472 1.00 72.12 N ATOM 0 H HIS A 98 5.378 -10.179 18.100 1.00 44.43 H new ATOM 0 HA HIS A 98 5.075 -8.028 20.114 1.00 33.12 H new ATOM 0 HB2 HIS A 98 7.559 -9.673 19.464 1.00 40.34 H new ATOM 0 HB3 HIS A 98 7.250 -8.734 20.911 1.00 40.34 H new ATOM 0 HD2 HIS A 98 6.921 -12.327 19.705 1.00 45.33 H new ATOM 0 HE1 HIS A 98 4.515 -12.061 23.183 1.00 24.55 H new ATOM 0 HE2 HIS A 98 5.566 -13.644 21.497 1.00 72.12 H new ATOM 1530 N GLY A 99 6.280 -7.580 17.185 1.00 52.10 N ATOM 1531 CA GLY A 99 6.748 -6.560 16.225 1.00 71.13 C ATOM 1532 C GLY A 99 8.005 -6.947 15.435 1.00 13.31 C ATOM 1533 O GLY A 99 8.590 -6.096 14.755 1.00 2.03 O ATOM 0 H GLY A 99 5.856 -8.395 16.742 1.00 52.10 H new ATOM 0 HA2 GLY A 99 5.944 -6.349 15.520 1.00 71.13 H new ATOM 0 HA3 GLY A 99 6.947 -5.636 16.767 1.00 71.13 H new ATOM 1537 N ALA A 100 8.405 -8.230 15.498 1.00 33.55 N ATOM 1538 CA ALA A 100 9.617 -8.736 14.803 1.00 64.14 C ATOM 1539 C ALA A 100 9.334 -9.024 13.296 1.00 55.22 C ATOM 1540 O ALA A 100 8.505 -9.880 12.999 1.00 12.31 O ATOM 1541 CB ALA A 100 10.129 -10.003 15.512 1.00 30.32 C ATOM 0 H ALA A 100 7.906 -8.946 16.026 1.00 33.55 H new ATOM 0 HA ALA A 100 10.386 -7.964 14.847 1.00 64.14 H new ATOM 0 HB1 ALA A 100 11.018 -10.372 15.000 1.00 30.32 H new ATOM 0 HB2 ALA A 100 10.378 -9.766 16.546 1.00 30.32 H new ATOM 0 HB3 ALA A 100 9.354 -10.769 15.492 1.00 30.32 H new ATOM 1547 N PRO A 101 10.023 -8.318 12.327 1.00 21.14 N ATOM 1548 CA PRO A 101 9.842 -8.543 10.855 1.00 72.11 C ATOM 1549 C PRO A 101 9.923 -10.033 10.436 1.00 73.24 C ATOM 1550 O PRO A 101 10.994 -10.645 10.523 1.00 72.11 O ATOM 1551 CB PRO A 101 11.010 -7.731 10.232 1.00 13.43 C ATOM 1552 CG PRO A 101 11.234 -6.621 11.208 1.00 42.10 C ATOM 1553 CD PRO A 101 11.016 -7.234 12.579 1.00 25.24 C ATOM 0 HA PRO A 101 8.851 -8.234 10.523 1.00 72.11 H new ATOM 0 HB2 PRO A 101 11.903 -8.344 10.111 1.00 13.43 H new ATOM 0 HB3 PRO A 101 10.750 -7.349 9.245 1.00 13.43 H new ATOM 0 HG2 PRO A 101 12.241 -6.215 11.116 1.00 42.10 H new ATOM 0 HG3 PRO A 101 10.541 -5.798 11.032 1.00 42.10 H new ATOM 0 HD2 PRO A 101 11.944 -7.629 12.993 1.00 25.24 H new ATOM 0 HD3 PRO A 101 10.636 -6.500 13.290 1.00 25.24 H new ATOM 1561 N VAL A 102 8.774 -10.607 10.029 1.00 4.01 N ATOM 1562 CA VAL A 102 8.672 -12.030 9.626 1.00 11.32 C ATOM 1563 C VAL A 102 9.565 -12.318 8.393 1.00 45.33 C ATOM 1564 O VAL A 102 9.309 -11.815 7.297 1.00 3.31 O ATOM 1565 CB VAL A 102 7.179 -12.444 9.331 1.00 55.14 C ATOM 1566 CG1 VAL A 102 7.065 -13.940 8.920 1.00 15.41 C ATOM 1567 CG2 VAL A 102 6.273 -12.137 10.550 1.00 40.50 C ATOM 0 H VAL A 102 7.890 -10.101 9.969 1.00 4.01 H new ATOM 0 HA VAL A 102 9.027 -12.632 10.463 1.00 11.32 H new ATOM 0 HB VAL A 102 6.835 -11.847 8.486 1.00 55.14 H new ATOM 0 HG11 VAL A 102 6.021 -14.185 8.725 1.00 15.41 H new ATOM 0 HG12 VAL A 102 7.653 -14.116 8.019 1.00 15.41 H new ATOM 0 HG13 VAL A 102 7.441 -14.569 9.727 1.00 15.41 H new ATOM 0 HG21 VAL A 102 5.248 -12.430 10.324 1.00 40.50 H new ATOM 0 HG22 VAL A 102 6.628 -12.695 11.417 1.00 40.50 H new ATOM 0 HG23 VAL A 102 6.305 -11.069 10.768 1.00 40.50 H new ATOM 1577 N ASP A 103 10.613 -13.122 8.616 1.00 34.13 N ATOM 1578 CA ASP A 103 11.639 -13.449 7.607 1.00 14.31 C ATOM 1579 C ASP A 103 11.043 -14.317 6.472 1.00 21.41 C ATOM 1580 O ASP A 103 11.418 -14.176 5.306 1.00 12.33 O ATOM 1581 CB ASP A 103 12.823 -14.182 8.287 1.00 23.43 C ATOM 1582 CG ASP A 103 13.362 -13.438 9.522 1.00 72.52 C ATOM 1583 OD1 ASP A 103 12.842 -13.663 10.639 1.00 0.00 O ATOM 1584 OD2 ASP A 103 14.295 -12.619 9.379 1.00 2.43 O ATOM 0 H ASP A 103 10.778 -13.573 9.516 1.00 34.13 H new ATOM 0 HA ASP A 103 12.000 -12.522 7.162 1.00 14.31 H new ATOM 0 HB2 ASP A 103 12.503 -15.181 8.583 1.00 23.43 H new ATOM 0 HB3 ASP A 103 13.629 -14.307 7.564 1.00 23.43 H new ATOM 1589 N GLU A 104 10.101 -15.195 6.852 1.00 23.35 N ATOM 1590 CA GLU A 104 9.381 -16.093 5.924 1.00 2.42 C ATOM 1591 C GLU A 104 8.530 -15.302 4.889 1.00 24.45 C ATOM 1592 O GLU A 104 8.493 -15.640 3.702 1.00 4.03 O ATOM 1593 CB GLU A 104 8.486 -17.043 6.763 1.00 54.51 C ATOM 1594 CG GLU A 104 7.752 -18.121 5.951 1.00 32.23 C ATOM 1595 CD GLU A 104 6.936 -19.092 6.824 1.00 64.03 C ATOM 1596 OE1 GLU A 104 7.539 -19.990 7.455 1.00 43.12 O ATOM 1597 OE2 GLU A 104 5.694 -18.955 6.894 1.00 74.42 O ATOM 0 H GLU A 104 9.812 -15.305 7.824 1.00 23.35 H new ATOM 0 HA GLU A 104 10.108 -16.668 5.350 1.00 2.42 H new ATOM 0 HB2 GLU A 104 9.105 -17.533 7.515 1.00 54.51 H new ATOM 0 HB3 GLU A 104 7.748 -16.446 7.298 1.00 54.51 H new ATOM 0 HG2 GLU A 104 7.085 -17.637 5.237 1.00 32.23 H new ATOM 0 HG3 GLU A 104 8.480 -18.689 5.372 1.00 32.23 H new ATOM 1604 N LEU A 105 7.851 -14.243 5.368 1.00 73.32 N ATOM 1605 CA LEU A 105 7.035 -13.337 4.521 1.00 62.22 C ATOM 1606 C LEU A 105 7.900 -12.220 3.878 1.00 5.50 C ATOM 1607 O LEU A 105 7.480 -11.592 2.901 1.00 33.32 O ATOM 1608 CB LEU A 105 5.879 -12.750 5.379 1.00 34.44 C ATOM 1609 CG LEU A 105 4.815 -13.802 5.856 1.00 3.53 C ATOM 1610 CD1 LEU A 105 3.835 -13.218 6.894 1.00 64.44 C ATOM 1611 CD2 LEU A 105 4.051 -14.386 4.650 1.00 11.11 C ATOM 0 H LEU A 105 7.849 -13.986 6.355 1.00 73.32 H new ATOM 0 HA LEU A 105 6.611 -13.906 3.694 1.00 62.22 H new ATOM 0 HB2 LEU A 105 6.307 -12.263 6.256 1.00 34.44 H new ATOM 0 HB3 LEU A 105 5.372 -11.977 4.801 1.00 34.44 H new ATOM 0 HG LEU A 105 5.359 -14.606 6.351 1.00 3.53 H new ATOM 0 HD11 LEU A 105 3.120 -13.985 7.191 1.00 64.44 H new ATOM 0 HD12 LEU A 105 4.390 -12.881 7.769 1.00 64.44 H new ATOM 0 HD13 LEU A 105 3.301 -12.375 6.456 1.00 64.44 H new ATOM 0 HD21 LEU A 105 3.318 -15.113 5.001 1.00 11.11 H new ATOM 0 HD22 LEU A 105 3.540 -13.583 4.119 1.00 11.11 H new ATOM 0 HD23 LEU A 105 4.754 -14.876 3.976 1.00 11.11 H new ATOM 1623 N GLY A 106 9.101 -11.994 4.453 1.00 12.35 N ATOM 1624 CA GLY A 106 10.126 -11.103 3.875 1.00 72.04 C ATOM 1625 C GLY A 106 9.766 -9.602 3.830 1.00 33.20 C ATOM 1626 O GLY A 106 8.902 -9.124 4.572 1.00 22.11 O ATOM 0 H GLY A 106 9.386 -12.426 5.332 1.00 12.35 H new ATOM 0 HA2 GLY A 106 11.046 -11.219 4.448 1.00 72.04 H new ATOM 0 HA3 GLY A 106 10.339 -11.437 2.859 1.00 72.04 H new ATOM 1630 N VAL A 107 10.477 -8.870 2.948 1.00 52.22 N ATOM 1631 CA VAL A 107 10.301 -7.414 2.711 1.00 71.31 C ATOM 1632 C VAL A 107 9.867 -7.172 1.242 1.00 34.32 C ATOM 1633 O VAL A 107 10.388 -7.817 0.329 1.00 5.21 O ATOM 1634 CB VAL A 107 11.653 -6.640 2.975 1.00 65.35 C ATOM 1635 CG1 VAL A 107 11.478 -5.107 2.810 1.00 4.51 C ATOM 1636 CG2 VAL A 107 12.243 -6.992 4.366 1.00 15.14 C ATOM 0 H VAL A 107 11.207 -9.280 2.365 1.00 52.22 H new ATOM 0 HA VAL A 107 9.536 -7.046 3.395 1.00 71.31 H new ATOM 0 HB VAL A 107 12.366 -6.969 2.219 1.00 65.35 H new ATOM 0 HG11 VAL A 107 12.429 -4.610 3.000 1.00 4.51 H new ATOM 0 HG12 VAL A 107 11.149 -4.886 1.795 1.00 4.51 H new ATOM 0 HG13 VAL A 107 10.733 -4.747 3.520 1.00 4.51 H new ATOM 0 HG21 VAL A 107 13.173 -6.443 4.516 1.00 15.14 H new ATOM 0 HG22 VAL A 107 11.530 -6.718 5.144 1.00 15.14 H new ATOM 0 HG23 VAL A 107 12.442 -8.063 4.417 1.00 15.14 H new ATOM 1646 N THR A 108 8.924 -6.242 1.009 1.00 55.32 N ATOM 1647 CA THR A 108 8.505 -5.859 -0.363 1.00 24.42 C ATOM 1648 C THR A 108 8.434 -4.322 -0.521 1.00 10.03 C ATOM 1649 O THR A 108 7.844 -3.622 0.300 1.00 55.24 O ATOM 1650 CB THR A 108 7.148 -6.522 -0.779 1.00 31.35 C ATOM 1651 OG1 THR A 108 6.785 -6.097 -2.105 1.00 64.40 O ATOM 1652 CG2 THR A 108 5.988 -6.230 0.200 1.00 54.33 C ATOM 0 H THR A 108 8.434 -5.738 1.749 1.00 55.32 H new ATOM 0 HA THR A 108 9.271 -6.239 -1.039 1.00 24.42 H new ATOM 0 HB THR A 108 7.310 -7.600 -0.752 1.00 31.35 H new ATOM 0 HG1 THR A 108 5.847 -5.814 -2.113 1.00 64.40 H new ATOM 0 HG21 THR A 108 5.081 -6.721 -0.153 1.00 54.33 H new ATOM 0 HG22 THR A 108 6.243 -6.608 1.190 1.00 54.33 H new ATOM 0 HG23 THR A 108 5.820 -5.154 0.255 1.00 54.33 H new ATOM 1660 N HIS A 109 9.048 -3.813 -1.599 1.00 0.14 N ATOM 1661 CA HIS A 109 9.179 -2.364 -1.856 1.00 55.01 C ATOM 1662 C HIS A 109 8.030 -1.851 -2.758 1.00 42.52 C ATOM 1663 O HIS A 109 8.023 -2.092 -3.958 1.00 1.33 O ATOM 1664 CB HIS A 109 10.557 -2.094 -2.514 1.00 3.41 C ATOM 1665 CG HIS A 109 10.878 -0.637 -2.740 1.00 33.25 C ATOM 1666 ND1 HIS A 109 11.724 0.080 -1.928 1.00 23.50 N ATOM 1667 CD2 HIS A 109 10.472 0.231 -3.703 1.00 2.11 C ATOM 1668 CE1 HIS A 109 11.823 1.311 -2.380 1.00 45.22 C ATOM 1669 NE2 HIS A 109 11.075 1.429 -3.449 1.00 41.02 N ATOM 0 H HIS A 109 9.471 -4.394 -2.323 1.00 0.14 H new ATOM 0 HA HIS A 109 9.113 -1.825 -0.911 1.00 55.01 H new ATOM 0 HB2 HIS A 109 11.335 -2.529 -1.886 1.00 3.41 H new ATOM 0 HB3 HIS A 109 10.594 -2.612 -3.472 1.00 3.41 H new ATOM 0 HD1 HIS A 109 12.201 -0.286 -1.104 1.00 23.50 H new ATOM 0 HD2 HIS A 109 9.798 0.014 -4.518 1.00 2.11 H new ATOM 0 HE1 HIS A 109 12.422 2.095 -1.942 1.00 45.22 H new ATOM 0 HE2 HIS A 109 10.962 2.279 -4.002 1.00 41.02 H new ATOM 1678 N ALA A 110 7.088 -1.097 -2.176 1.00 63.41 N ATOM 1679 CA ALA A 110 5.918 -0.554 -2.912 1.00 51.14 C ATOM 1680 C ALA A 110 6.156 0.917 -3.346 1.00 64.33 C ATOM 1681 O ALA A 110 6.495 1.772 -2.517 1.00 10.12 O ATOM 1682 CB ALA A 110 4.663 -0.686 -2.043 1.00 74.53 C ATOM 0 H ALA A 110 7.107 -0.842 -1.188 1.00 63.41 H new ATOM 0 HA ALA A 110 5.776 -1.132 -3.825 1.00 51.14 H new ATOM 0 HB1 ALA A 110 3.804 -0.288 -2.582 1.00 74.53 H new ATOM 0 HB2 ALA A 110 4.490 -1.737 -1.810 1.00 74.53 H new ATOM 0 HB3 ALA A 110 4.801 -0.127 -1.117 1.00 74.53 H new ATOM 1688 N THR A 111 5.964 1.203 -4.654 1.00 64.41 N ATOM 1689 CA THR A 111 6.184 2.553 -5.245 1.00 11.31 C ATOM 1690 C THR A 111 4.833 3.179 -5.657 1.00 0.02 C ATOM 1691 O THR A 111 4.244 2.778 -6.660 1.00 2.15 O ATOM 1692 CB THR A 111 7.118 2.480 -6.513 1.00 33.34 C ATOM 1693 OG1 THR A 111 8.363 1.837 -6.171 1.00 34.33 O ATOM 1694 CG2 THR A 111 7.413 3.875 -7.110 1.00 2.04 C ATOM 0 H THR A 111 5.653 0.509 -5.333 1.00 64.41 H new ATOM 0 HA THR A 111 6.667 3.169 -4.486 1.00 11.31 H new ATOM 0 HB THR A 111 6.586 1.901 -7.268 1.00 33.34 H new ATOM 0 HG1 THR A 111 8.937 1.794 -6.964 1.00 34.33 H new ATOM 0 HG21 THR A 111 8.060 3.769 -7.981 1.00 2.04 H new ATOM 0 HG22 THR A 111 6.478 4.348 -7.409 1.00 2.04 H new ATOM 0 HG23 THR A 111 7.910 4.493 -6.362 1.00 2.04 H new ATOM 1702 N VAL A 112 4.373 4.178 -4.894 1.00 43.33 N ATOM 1703 CA VAL A 112 3.089 4.878 -5.135 1.00 54.15 C ATOM 1704 C VAL A 112 3.329 6.187 -5.918 1.00 74.34 C ATOM 1705 O VAL A 112 3.996 7.086 -5.426 1.00 55.01 O ATOM 1706 CB VAL A 112 2.366 5.229 -3.784 1.00 13.21 C ATOM 1707 CG1 VAL A 112 0.965 5.845 -4.046 1.00 44.31 C ATOM 1708 CG2 VAL A 112 2.291 3.997 -2.849 1.00 44.03 C ATOM 0 H VAL A 112 4.880 4.532 -4.083 1.00 43.33 H new ATOM 0 HA VAL A 112 2.457 4.205 -5.714 1.00 54.15 H new ATOM 0 HB VAL A 112 2.961 5.983 -3.269 1.00 13.21 H new ATOM 0 HG11 VAL A 112 0.487 6.079 -3.095 1.00 44.31 H new ATOM 0 HG12 VAL A 112 1.073 6.758 -4.632 1.00 44.31 H new ATOM 0 HG13 VAL A 112 0.351 5.132 -4.596 1.00 44.31 H new ATOM 0 HG21 VAL A 112 1.786 4.273 -1.924 1.00 44.03 H new ATOM 0 HG22 VAL A 112 1.735 3.199 -3.342 1.00 44.03 H new ATOM 0 HG23 VAL A 112 3.299 3.650 -2.622 1.00 44.03 H new ATOM 1718 N LYS A 113 2.784 6.295 -7.130 1.00 3.52 N ATOM 1719 CA LYS A 113 2.959 7.489 -7.991 1.00 65.11 C ATOM 1720 C LYS A 113 1.594 8.137 -8.314 1.00 14.14 C ATOM 1721 O LYS A 113 0.598 7.434 -8.511 1.00 74.43 O ATOM 1722 CB LYS A 113 3.712 7.078 -9.285 1.00 41.55 C ATOM 1723 CG LYS A 113 5.063 6.360 -9.018 1.00 73.03 C ATOM 1724 CD LYS A 113 5.772 5.886 -10.303 1.00 65.24 C ATOM 1725 CE LYS A 113 4.894 4.961 -11.161 1.00 71.23 C ATOM 1726 NZ LYS A 113 5.571 4.532 -12.405 1.00 5.21 N ATOM 0 H LYS A 113 2.209 5.566 -7.551 1.00 3.52 H new ATOM 0 HA LYS A 113 3.551 8.235 -7.462 1.00 65.11 H new ATOM 0 HB2 LYS A 113 3.072 6.422 -9.875 1.00 41.55 H new ATOM 0 HB3 LYS A 113 3.896 7.968 -9.886 1.00 41.55 H new ATOM 0 HG2 LYS A 113 5.724 7.036 -8.476 1.00 73.03 H new ATOM 0 HG3 LYS A 113 4.887 5.500 -8.371 1.00 73.03 H new ATOM 0 HD2 LYS A 113 6.062 6.755 -10.894 1.00 65.24 H new ATOM 0 HD3 LYS A 113 6.689 5.362 -10.034 1.00 65.24 H new ATOM 0 HE2 LYS A 113 4.620 4.082 -10.578 1.00 71.23 H new ATOM 0 HE3 LYS A 113 3.968 5.477 -11.414 1.00 71.23 H new ATOM 0 HZ1 LYS A 113 4.938 3.910 -12.948 1.00 5.21 H new ATOM 0 HZ2 LYS A 113 5.810 5.368 -12.976 1.00 5.21 H new ATOM 0 HZ3 LYS A 113 6.442 4.016 -12.166 1.00 5.21 H new ATOM 1740 N LEU A 114 1.569 9.485 -8.369 1.00 35.43 N ATOM 1741 CA LEU A 114 0.348 10.280 -8.648 1.00 53.54 C ATOM 1742 C LEU A 114 0.575 11.201 -9.861 1.00 11.11 C ATOM 1743 O LEU A 114 1.513 11.998 -9.878 1.00 24.23 O ATOM 1744 CB LEU A 114 -0.045 11.125 -7.407 1.00 54.13 C ATOM 1745 CG LEU A 114 -0.553 10.321 -6.173 1.00 1.34 C ATOM 1746 CD1 LEU A 114 -0.760 11.229 -4.951 1.00 51.42 C ATOM 1747 CD2 LEU A 114 -1.846 9.574 -6.516 1.00 13.11 C ATOM 0 H LEU A 114 2.399 10.059 -8.221 1.00 35.43 H new ATOM 0 HA LEU A 114 -0.466 9.591 -8.875 1.00 53.54 H new ATOM 0 HB2 LEU A 114 0.821 11.713 -7.102 1.00 54.13 H new ATOM 0 HB3 LEU A 114 -0.822 11.830 -7.702 1.00 54.13 H new ATOM 0 HG LEU A 114 0.215 9.592 -5.913 1.00 1.34 H new ATOM 0 HD11 LEU A 114 -1.115 10.633 -4.110 1.00 51.42 H new ATOM 0 HD12 LEU A 114 0.185 11.704 -4.686 1.00 51.42 H new ATOM 0 HD13 LEU A 114 -1.497 11.996 -5.188 1.00 51.42 H new ATOM 0 HD21 LEU A 114 -2.187 9.018 -5.643 1.00 13.11 H new ATOM 0 HD22 LEU A 114 -2.612 10.290 -6.812 1.00 13.11 H new ATOM 0 HD23 LEU A 114 -1.660 8.882 -7.337 1.00 13.11 H new ATOM 1759 N GLU A 115 -0.300 11.089 -10.869 1.00 60.32 N ATOM 1760 CA GLU A 115 -0.215 11.899 -12.100 1.00 12.20 C ATOM 1761 C GLU A 115 -1.374 12.931 -12.154 1.00 31.13 C ATOM 1762 O GLU A 115 -2.541 12.528 -12.137 1.00 2.30 O ATOM 1763 CB GLU A 115 -0.259 10.974 -13.338 1.00 34.13 C ATOM 1764 CG GLU A 115 0.027 11.682 -14.675 1.00 44.25 C ATOM 1765 CD GLU A 115 0.041 10.716 -15.871 1.00 43.43 C ATOM 1766 OE1 GLU A 115 1.084 10.070 -16.109 1.00 21.52 O ATOM 1767 OE2 GLU A 115 -0.988 10.591 -16.566 1.00 33.22 O ATOM 0 H GLU A 115 -1.085 10.438 -10.858 1.00 60.32 H new ATOM 0 HA GLU A 115 0.728 12.446 -12.098 1.00 12.20 H new ATOM 0 HB2 GLU A 115 0.468 10.173 -13.203 1.00 34.13 H new ATOM 0 HB3 GLU A 115 -1.242 10.507 -13.392 1.00 34.13 H new ATOM 0 HG2 GLU A 115 -0.728 12.450 -14.843 1.00 44.25 H new ATOM 0 HG3 GLU A 115 0.989 12.190 -14.613 1.00 44.25 H new ATOM 1774 N PRO A 116 -1.068 14.274 -12.202 1.00 40.21 N ATOM 1775 CA PRO A 116 -2.106 15.337 -12.323 1.00 72.02 C ATOM 1776 C PRO A 116 -2.907 15.247 -13.647 1.00 73.21 C ATOM 1777 O PRO A 116 -2.375 15.496 -14.737 1.00 43.04 O ATOM 1778 CB PRO A 116 -1.287 16.659 -12.238 1.00 5.13 C ATOM 1779 CG PRO A 116 0.104 16.269 -12.639 1.00 50.21 C ATOM 1780 CD PRO A 116 0.296 14.865 -12.113 1.00 34.13 C ATOM 0 HA PRO A 116 -2.867 15.253 -11.548 1.00 72.02 H new ATOM 0 HB2 PRO A 116 -1.693 17.420 -12.904 1.00 5.13 H new ATOM 0 HB3 PRO A 116 -1.307 17.074 -11.230 1.00 5.13 H new ATOM 0 HG2 PRO A 116 0.224 16.303 -13.722 1.00 50.21 H new ATOM 0 HG3 PRO A 116 0.841 16.951 -12.215 1.00 50.21 H new ATOM 0 HD2 PRO A 116 1.016 14.307 -12.711 1.00 34.13 H new ATOM 0 HD3 PRO A 116 0.667 14.867 -11.088 1.00 34.13 H new ATOM 1788 N LEU A 117 -4.184 14.851 -13.534 1.00 71.40 N ATOM 1789 CA LEU A 117 -5.129 14.823 -14.682 1.00 70.20 C ATOM 1790 C LEU A 117 -6.121 16.017 -14.596 1.00 33.41 C ATOM 1791 O LEU A 117 -7.213 15.955 -15.172 1.00 14.23 O ATOM 1792 CB LEU A 117 -5.916 13.471 -14.707 1.00 73.12 C ATOM 1793 CG LEU A 117 -5.076 12.153 -14.599 1.00 4.31 C ATOM 1794 CD1 LEU A 117 -5.991 10.907 -14.528 1.00 12.00 C ATOM 1795 CD2 LEU A 117 -4.061 12.027 -15.752 1.00 40.54 C ATOM 0 H LEU A 117 -4.597 14.541 -12.654 1.00 71.40 H new ATOM 0 HA LEU A 117 -4.554 14.911 -15.604 1.00 70.20 H new ATOM 0 HB2 LEU A 117 -6.634 13.483 -13.887 1.00 73.12 H new ATOM 0 HB3 LEU A 117 -6.490 13.431 -15.633 1.00 73.12 H new ATOM 0 HG LEU A 117 -4.510 12.208 -13.669 1.00 4.31 H new ATOM 0 HD11 LEU A 117 -5.378 10.009 -14.454 1.00 12.00 H new ATOM 0 HD12 LEU A 117 -6.637 10.979 -13.653 1.00 12.00 H new ATOM 0 HD13 LEU A 117 -6.604 10.854 -15.428 1.00 12.00 H new ATOM 0 HD21 LEU A 117 -3.498 11.100 -15.642 1.00 40.54 H new ATOM 0 HD22 LEU A 117 -4.591 12.018 -16.704 1.00 40.54 H new ATOM 0 HD23 LEU A 117 -3.375 12.874 -15.727 1.00 40.54 H new ATOM 1807 N GLU A 118 -5.699 17.106 -13.896 1.00 74.04 N ATOM 1808 CA GLU A 118 -6.546 18.296 -13.588 1.00 4.43 C ATOM 1809 C GLU A 118 -7.676 17.958 -12.586 1.00 50.05 C ATOM 1810 O GLU A 118 -7.513 18.100 -11.366 1.00 12.40 O ATOM 1811 CB GLU A 118 -7.128 18.974 -14.891 1.00 50.24 C ATOM 1812 CG GLU A 118 -6.309 20.127 -15.466 1.00 33.31 C ATOM 1813 CD GLU A 118 -4.845 19.762 -15.771 1.00 63.21 C ATOM 1814 OE1 GLU A 118 -4.591 19.091 -16.793 1.00 33.24 O ATOM 1815 OE2 GLU A 118 -3.945 20.137 -14.987 1.00 31.42 O ATOM 0 H GLU A 118 -4.752 17.184 -13.525 1.00 74.04 H new ATOM 0 HA GLU A 118 -5.888 19.023 -13.112 1.00 4.43 H new ATOM 0 HB2 GLU A 118 -7.232 18.209 -15.660 1.00 50.24 H new ATOM 0 HB3 GLU A 118 -8.130 19.341 -14.670 1.00 50.24 H new ATOM 0 HG2 GLU A 118 -6.785 20.476 -16.383 1.00 33.31 H new ATOM 0 HG3 GLU A 118 -6.327 20.959 -14.762 1.00 33.31 H new ATOM 1822 N ASN A 119 -8.810 17.490 -13.125 1.00 32.45 N ATOM 1823 CA ASN A 119 -10.030 17.195 -12.355 1.00 63.13 C ATOM 1824 C ASN A 119 -9.942 15.805 -11.695 1.00 61.34 C ATOM 1825 O ASN A 119 -10.657 15.517 -10.732 1.00 20.45 O ATOM 1826 CB ASN A 119 -11.243 17.287 -13.316 1.00 71.40 C ATOM 1827 CG ASN A 119 -11.538 18.705 -13.817 1.00 21.34 C ATOM 1828 OD1 ASN A 119 -10.645 19.537 -13.950 1.00 72.43 O ATOM 1829 ND2 ASN A 119 -12.791 18.992 -14.117 1.00 35.31 N ATOM 0 H ASN A 119 -8.909 17.302 -14.123 1.00 32.45 H new ATOM 0 HA ASN A 119 -10.146 17.919 -11.549 1.00 63.13 H new ATOM 0 HB2 ASN A 119 -11.063 16.640 -14.174 1.00 71.40 H new ATOM 0 HB3 ASN A 119 -12.126 16.902 -12.807 1.00 71.40 H new ATOM 0 HD21 ASN A 119 -13.032 19.919 -14.467 1.00 35.31 H new ATOM 0 HD22 ASN A 119 -13.518 18.286 -13.999 1.00 35.31 H new ATOM 1836 N ARG A 120 -9.061 14.941 -12.235 1.00 34.41 N ATOM 1837 CA ARG A 120 -8.769 13.610 -11.655 1.00 23.41 C ATOM 1838 C ARG A 120 -7.254 13.458 -11.370 1.00 63.34 C ATOM 1839 O ARG A 120 -6.466 14.385 -11.597 1.00 13.01 O ATOM 1840 CB ARG A 120 -9.259 12.493 -12.607 1.00 31.40 C ATOM 1841 CG ARG A 120 -10.757 12.580 -12.981 1.00 51.21 C ATOM 1842 CD ARG A 120 -11.204 11.437 -13.902 1.00 42.11 C ATOM 1843 NE ARG A 120 -10.381 11.356 -15.120 1.00 20.23 N ATOM 1844 CZ ARG A 120 -9.625 10.337 -15.468 1.00 44.32 C ATOM 1845 NH1 ARG A 120 -9.511 9.287 -14.714 1.00 14.30 N ATOM 1846 NH2 ARG A 120 -8.960 10.394 -16.566 1.00 1.43 N ATOM 0 H ARG A 120 -8.532 15.143 -13.083 1.00 34.41 H new ATOM 0 HA ARG A 120 -9.303 13.520 -10.709 1.00 23.41 H new ATOM 0 HB2 ARG A 120 -8.667 12.527 -13.521 1.00 31.40 H new ATOM 0 HB3 ARG A 120 -9.070 11.526 -12.140 1.00 31.40 H new ATOM 0 HG2 ARG A 120 -11.356 12.563 -12.071 1.00 51.21 H new ATOM 0 HG3 ARG A 120 -10.950 13.534 -13.472 1.00 51.21 H new ATOM 0 HD2 ARG A 120 -11.146 10.492 -13.362 1.00 42.11 H new ATOM 0 HD3 ARG A 120 -12.248 11.582 -14.179 1.00 42.11 H new ATOM 0 HE ARG A 120 -10.398 12.159 -15.748 1.00 20.23 H new ATOM 0 HH11 ARG A 120 -10.014 9.238 -13.828 1.00 14.30 H new ATOM 0 HH12 ARG A 120 -8.918 8.510 -15.007 1.00 14.30 H new ATOM 0 HH21 ARG A 120 -9.022 11.223 -17.157 1.00 1.43 H new ATOM 0 HH22 ARG A 120 -8.370 9.610 -16.846 1.00 1.43 H new ATOM 1860 N THR A 121 -6.865 12.294 -10.831 1.00 74.44 N ATOM 1861 CA THR A 121 -5.443 11.933 -10.602 1.00 24.45 C ATOM 1862 C THR A 121 -5.268 10.407 -10.739 1.00 42.44 C ATOM 1863 O THR A 121 -6.132 9.640 -10.310 1.00 54.42 O ATOM 1864 CB THR A 121 -4.933 12.418 -9.195 1.00 44.51 C ATOM 1865 OG1 THR A 121 -4.983 13.853 -9.131 1.00 24.34 O ATOM 1866 CG2 THR A 121 -3.494 11.959 -8.882 1.00 23.45 C ATOM 0 H THR A 121 -7.521 11.570 -10.538 1.00 74.44 H new ATOM 0 HA THR A 121 -4.841 12.440 -11.356 1.00 24.45 H new ATOM 0 HB THR A 121 -5.592 11.967 -8.453 1.00 44.51 H new ATOM 0 HG1 THR A 121 -5.332 14.206 -9.976 1.00 24.34 H new ATOM 0 HG21 THR A 121 -3.201 12.325 -7.898 1.00 23.45 H new ATOM 0 HG22 THR A 121 -3.449 10.870 -8.892 1.00 23.45 H new ATOM 0 HG23 THR A 121 -2.813 12.357 -9.635 1.00 23.45 H new ATOM 1874 N ARG A 122 -4.139 9.970 -11.329 1.00 45.22 N ATOM 1875 CA ARG A 122 -3.865 8.545 -11.587 1.00 24.51 C ATOM 1876 C ARG A 122 -2.846 7.995 -10.561 1.00 3.11 C ATOM 1877 O ARG A 122 -1.694 8.427 -10.526 1.00 42.14 O ATOM 1878 CB ARG A 122 -3.354 8.385 -13.039 1.00 24.10 C ATOM 1879 CG ARG A 122 -3.122 6.929 -13.484 1.00 51.35 C ATOM 1880 CD ARG A 122 -2.824 6.820 -14.988 1.00 61.05 C ATOM 1881 NE ARG A 122 -3.955 7.272 -15.823 1.00 3.34 N ATOM 1882 CZ ARG A 122 -3.914 7.462 -17.122 1.00 50.30 C ATOM 1883 NH1 ARG A 122 -2.812 7.345 -17.791 1.00 45.33 N ATOM 1884 NH2 ARG A 122 -4.996 7.795 -17.739 1.00 72.11 N ATOM 0 H ARG A 122 -3.394 10.594 -11.639 1.00 45.22 H new ATOM 0 HA ARG A 122 -4.781 7.965 -11.473 1.00 24.51 H new ATOM 0 HB2 ARG A 122 -4.073 8.847 -13.716 1.00 24.10 H new ATOM 0 HB3 ARG A 122 -2.419 8.936 -13.143 1.00 24.10 H new ATOM 0 HG2 ARG A 122 -2.291 6.507 -12.919 1.00 51.35 H new ATOM 0 HG3 ARG A 122 -4.004 6.334 -13.246 1.00 51.35 H new ATOM 0 HD2 ARG A 122 -1.942 7.415 -15.224 1.00 61.05 H new ATOM 0 HD3 ARG A 122 -2.586 5.785 -15.234 1.00 61.05 H new ATOM 0 HE ARG A 122 -4.842 7.452 -15.352 1.00 3.34 H new ATOM 0 HH11 ARG A 122 -1.947 7.100 -17.310 1.00 45.33 H new ATOM 0 HH12 ARG A 122 -2.809 7.498 -18.799 1.00 45.33 H new ATOM 0 HH21 ARG A 122 -5.866 7.907 -17.219 1.00 72.11 H new ATOM 0 HH22 ARG A 122 -4.982 7.946 -18.748 1.00 72.11 H new ATOM 1898 N MET A 123 -3.301 7.040 -9.730 1.00 53.33 N ATOM 1899 CA MET A 123 -2.515 6.446 -8.630 1.00 10.35 C ATOM 1900 C MET A 123 -2.068 5.010 -9.006 1.00 44.22 C ATOM 1901 O MET A 123 -2.907 4.131 -9.190 1.00 54.11 O ATOM 1902 CB MET A 123 -3.388 6.435 -7.339 1.00 21.52 C ATOM 1903 CG MET A 123 -2.634 6.117 -6.027 1.00 31.32 C ATOM 1904 SD MET A 123 -2.049 4.416 -5.905 1.00 63.34 S ATOM 1905 CE MET A 123 -3.584 3.494 -5.882 1.00 63.52 C ATOM 0 H MET A 123 -4.241 6.652 -9.804 1.00 53.33 H new ATOM 0 HA MET A 123 -1.618 7.039 -8.452 1.00 10.35 H new ATOM 0 HB2 MET A 123 -3.865 7.410 -7.236 1.00 21.52 H new ATOM 0 HB3 MET A 123 -4.185 5.702 -7.466 1.00 21.52 H new ATOM 0 HG2 MET A 123 -1.781 6.790 -5.939 1.00 31.32 H new ATOM 0 HG3 MET A 123 -3.292 6.324 -5.183 1.00 31.32 H new ATOM 0 HE1 MET A 123 -3.532 2.720 -5.116 1.00 63.52 H new ATOM 0 HE2 MET A 123 -4.411 4.169 -5.661 1.00 63.52 H new ATOM 0 HE3 MET A 123 -3.745 3.031 -6.855 1.00 63.52 H new ATOM 1915 N THR A 124 -0.749 4.773 -9.119 1.00 33.52 N ATOM 1916 CA THR A 124 -0.196 3.433 -9.453 1.00 1.11 C ATOM 1917 C THR A 124 0.840 2.975 -8.402 1.00 14.21 C ATOM 1918 O THR A 124 1.849 3.655 -8.184 1.00 64.03 O ATOM 1919 CB THR A 124 0.464 3.428 -10.874 1.00 62.45 C ATOM 1920 OG1 THR A 124 -0.496 3.836 -11.871 1.00 44.54 O ATOM 1921 CG2 THR A 124 1.032 2.039 -11.252 1.00 63.25 C ATOM 0 H THR A 124 -0.037 5.491 -8.985 1.00 33.52 H new ATOM 0 HA THR A 124 -1.033 2.734 -9.450 1.00 1.11 H new ATOM 0 HB THR A 124 1.294 4.134 -10.841 1.00 62.45 H new ATOM 0 HG1 THR A 124 -0.072 3.831 -12.755 1.00 44.54 H new ATOM 0 HG21 THR A 124 1.479 2.087 -12.245 1.00 63.25 H new ATOM 0 HG22 THR A 124 1.791 1.746 -10.526 1.00 63.25 H new ATOM 0 HG23 THR A 124 0.227 1.304 -11.251 1.00 63.25 H new ATOM 1929 N ILE A 125 0.593 1.813 -7.756 1.00 44.34 N ATOM 1930 CA ILE A 125 1.524 1.230 -6.757 1.00 51.13 C ATOM 1931 C ILE A 125 2.200 -0.041 -7.321 1.00 34.01 C ATOM 1932 O ILE A 125 1.512 -1.016 -7.622 1.00 13.00 O ATOM 1933 CB ILE A 125 0.797 0.844 -5.416 1.00 71.32 C ATOM 1934 CG1 ILE A 125 -0.159 1.976 -4.941 1.00 61.54 C ATOM 1935 CG2 ILE A 125 1.844 0.505 -4.317 1.00 3.02 C ATOM 1936 CD1 ILE A 125 -0.998 1.638 -3.717 1.00 13.35 C ATOM 0 H ILE A 125 -0.248 1.256 -7.909 1.00 44.34 H new ATOM 0 HA ILE A 125 2.267 1.999 -6.546 1.00 51.13 H new ATOM 0 HB ILE A 125 0.187 -0.040 -5.603 1.00 71.32 H new ATOM 0 HG12 ILE A 125 0.434 2.864 -4.722 1.00 61.54 H new ATOM 0 HG13 ILE A 125 -0.828 2.234 -5.762 1.00 61.54 H new ATOM 0 HG21 ILE A 125 1.329 0.239 -3.394 1.00 3.02 H new ATOM 0 HG22 ILE A 125 2.457 -0.334 -4.645 1.00 3.02 H new ATOM 0 HG23 ILE A 125 2.481 1.372 -4.141 1.00 3.02 H new ATOM 0 HD11 ILE A 125 -1.631 2.488 -3.464 1.00 13.35 H new ATOM 0 HD12 ILE A 125 -1.623 0.772 -3.932 1.00 13.35 H new ATOM 0 HD13 ILE A 125 -0.341 1.412 -2.877 1.00 13.35 H new ATOM 1948 N ILE A 126 3.543 -0.030 -7.453 1.00 62.41 N ATOM 1949 CA ILE A 126 4.314 -1.198 -7.939 1.00 4.12 C ATOM 1950 C ILE A 126 5.066 -1.854 -6.753 1.00 74.10 C ATOM 1951 O ILE A 126 6.008 -1.274 -6.215 1.00 35.33 O ATOM 1952 CB ILE A 126 5.364 -0.826 -9.075 1.00 24.41 C ATOM 1953 CG1 ILE A 126 4.752 0.089 -10.199 1.00 1.14 C ATOM 1954 CG2 ILE A 126 5.965 -2.116 -9.694 1.00 22.40 C ATOM 1955 CD1 ILE A 126 4.628 1.561 -9.850 1.00 5.33 C ATOM 0 H ILE A 126 4.121 0.780 -7.228 1.00 62.41 H new ATOM 0 HA ILE A 126 3.593 -1.889 -8.376 1.00 4.12 H new ATOM 0 HB ILE A 126 6.155 -0.248 -8.598 1.00 24.41 H new ATOM 0 HG12 ILE A 126 5.368 -0.003 -11.093 1.00 1.14 H new ATOM 0 HG13 ILE A 126 3.762 -0.291 -10.453 1.00 1.14 H new ATOM 0 HG21 ILE A 126 6.682 -1.847 -10.470 1.00 22.40 H new ATOM 0 HG22 ILE A 126 6.469 -2.691 -8.918 1.00 22.40 H new ATOM 0 HG23 ILE A 126 5.167 -2.717 -10.130 1.00 22.40 H new ATOM 0 HD11 ILE A 126 4.195 2.100 -10.693 1.00 5.33 H new ATOM 0 HD12 ILE A 126 3.984 1.675 -8.978 1.00 5.33 H new ATOM 0 HD13 ILE A 126 5.615 1.967 -9.628 1.00 5.33 H new ATOM 1967 N SER A 127 4.640 -3.060 -6.361 1.00 62.32 N ATOM 1968 CA SER A 127 5.213 -3.803 -5.218 1.00 3.11 C ATOM 1969 C SER A 127 6.278 -4.808 -5.726 1.00 42.12 C ATOM 1970 O SER A 127 5.943 -5.811 -6.352 1.00 2.54 O ATOM 1971 CB SER A 127 4.071 -4.533 -4.457 1.00 21.23 C ATOM 1972 OG SER A 127 4.534 -5.142 -3.269 1.00 54.35 O ATOM 0 H SER A 127 3.882 -3.557 -6.828 1.00 62.32 H new ATOM 0 HA SER A 127 5.702 -3.112 -4.532 1.00 3.11 H new ATOM 0 HB2 SER A 127 3.282 -3.820 -4.216 1.00 21.23 H new ATOM 0 HB3 SER A 127 3.629 -5.290 -5.105 1.00 21.23 H new ATOM 0 HG SER A 127 4.453 -6.116 -3.348 1.00 54.35 H new ATOM 1978 N THR A 128 7.563 -4.495 -5.485 1.00 24.10 N ATOM 1979 CA THR A 128 8.713 -5.300 -5.946 1.00 42.03 C ATOM 1980 C THR A 128 9.249 -6.214 -4.816 1.00 34.41 C ATOM 1981 O THR A 128 9.784 -5.740 -3.809 1.00 43.20 O ATOM 1982 CB THR A 128 9.865 -4.386 -6.495 1.00 70.13 C ATOM 1983 OG1 THR A 128 10.257 -3.425 -5.502 1.00 4.22 O ATOM 1984 CG2 THR A 128 9.445 -3.652 -7.786 1.00 73.20 C ATOM 0 H THR A 128 7.838 -3.666 -4.958 1.00 24.10 H new ATOM 0 HA THR A 128 8.358 -5.932 -6.760 1.00 42.03 H new ATOM 0 HB THR A 128 10.709 -5.034 -6.731 1.00 70.13 H new ATOM 0 HG1 THR A 128 11.163 -3.629 -5.189 1.00 4.22 H new ATOM 0 HG21 THR A 128 10.269 -3.029 -8.135 1.00 73.20 H new ATOM 0 HG22 THR A 128 9.192 -4.383 -8.554 1.00 73.20 H new ATOM 0 HG23 THR A 128 8.577 -3.025 -7.582 1.00 73.20 H new ATOM 1992 N PHE A 129 9.105 -7.534 -5.018 1.00 60.14 N ATOM 1993 CA PHE A 129 9.470 -8.578 -4.036 1.00 73.32 C ATOM 1994 C PHE A 129 10.946 -9.022 -4.210 1.00 33.52 C ATOM 1995 O PHE A 129 11.546 -8.819 -5.270 1.00 2.24 O ATOM 1996 CB PHE A 129 8.510 -9.791 -4.203 1.00 64.32 C ATOM 1997 CG PHE A 129 7.024 -9.403 -4.123 1.00 73.11 C ATOM 1998 CD1 PHE A 129 6.357 -9.358 -2.903 1.00 4.10 C ATOM 1999 CD2 PHE A 129 6.305 -9.046 -5.270 1.00 53.12 C ATOM 2000 CE1 PHE A 129 5.026 -8.977 -2.828 1.00 14.10 C ATOM 2001 CE2 PHE A 129 4.974 -8.674 -5.192 1.00 3.22 C ATOM 2002 CZ PHE A 129 4.337 -8.635 -3.972 1.00 33.13 C ATOM 0 H PHE A 129 8.725 -7.917 -5.884 1.00 60.14 H new ATOM 0 HA PHE A 129 9.370 -8.168 -3.031 1.00 73.32 H new ATOM 0 HB2 PHE A 129 8.703 -10.269 -5.163 1.00 64.32 H new ATOM 0 HB3 PHE A 129 8.729 -10.528 -3.430 1.00 64.32 H new ATOM 0 HD1 PHE A 129 6.885 -9.624 -1.999 1.00 4.10 H new ATOM 0 HD2 PHE A 129 6.797 -9.061 -6.231 1.00 53.12 H new ATOM 0 HE1 PHE A 129 4.527 -8.948 -1.870 1.00 14.10 H new ATOM 0 HE2 PHE A 129 4.434 -8.414 -6.090 1.00 3.22 H new ATOM 0 HZ PHE A 129 3.301 -8.337 -3.911 1.00 33.13 H new ATOM 2012 N GLU A 130 11.516 -9.624 -3.157 1.00 33.33 N ATOM 2013 CA GLU A 130 12.933 -10.067 -3.132 1.00 32.41 C ATOM 2014 C GLU A 130 13.155 -11.391 -3.915 1.00 73.22 C ATOM 2015 O GLU A 130 14.154 -11.535 -4.623 1.00 31.30 O ATOM 2016 CB GLU A 130 13.394 -10.242 -1.661 1.00 44.21 C ATOM 2017 CG GLU A 130 13.191 -8.994 -0.784 1.00 70.52 C ATOM 2018 CD GLU A 130 13.637 -9.190 0.673 1.00 51.20 C ATOM 2019 OE1 GLU A 130 12.926 -9.883 1.433 1.00 42.43 O ATOM 2020 OE2 GLU A 130 14.709 -8.668 1.060 1.00 62.25 O ATOM 0 H GLU A 130 11.013 -9.822 -2.292 1.00 33.33 H new ATOM 0 HA GLU A 130 13.527 -9.298 -3.626 1.00 32.41 H new ATOM 0 HB2 GLU A 130 12.850 -11.076 -1.218 1.00 44.21 H new ATOM 0 HB3 GLU A 130 14.450 -10.510 -1.653 1.00 44.21 H new ATOM 0 HG2 GLU A 130 13.746 -8.161 -1.217 1.00 70.52 H new ATOM 0 HG3 GLU A 130 12.137 -8.717 -0.799 1.00 70.52 H new ATOM 2027 N SER A 131 12.208 -12.346 -3.786 1.00 73.04 N ATOM 2028 CA SER A 131 12.334 -13.707 -4.378 1.00 71.03 C ATOM 2029 C SER A 131 10.966 -14.261 -4.829 1.00 60.53 C ATOM 2030 O SER A 131 9.920 -13.836 -4.329 1.00 31.41 O ATOM 2031 CB SER A 131 12.984 -14.673 -3.356 1.00 70.11 C ATOM 2032 OG SER A 131 13.146 -15.981 -3.893 1.00 20.14 O ATOM 0 H SER A 131 11.338 -12.202 -3.273 1.00 73.04 H new ATOM 0 HA SER A 131 12.970 -13.628 -5.260 1.00 71.03 H new ATOM 0 HB2 SER A 131 13.955 -14.282 -3.053 1.00 70.11 H new ATOM 0 HB3 SER A 131 12.366 -14.722 -2.459 1.00 70.11 H new ATOM 0 HG SER A 131 13.673 -16.526 -3.272 1.00 20.14 H new ATOM 2038 N GLU A 132 10.995 -15.211 -5.792 1.00 63.44 N ATOM 2039 CA GLU A 132 9.777 -15.866 -6.329 1.00 65.41 C ATOM 2040 C GLU A 132 9.078 -16.744 -5.262 1.00 74.22 C ATOM 2041 O GLU A 132 7.855 -16.835 -5.244 1.00 3.11 O ATOM 2042 CB GLU A 132 10.105 -16.704 -7.597 1.00 70.13 C ATOM 2043 CG GLU A 132 8.857 -17.299 -8.293 1.00 53.41 C ATOM 2044 CD GLU A 132 9.180 -18.148 -9.537 1.00 73.35 C ATOM 2045 OE1 GLU A 132 9.716 -19.265 -9.376 1.00 1.41 O ATOM 2046 OE2 GLU A 132 8.894 -17.712 -10.680 1.00 30.21 O ATOM 0 H GLU A 132 11.859 -15.545 -6.218 1.00 63.44 H new ATOM 0 HA GLU A 132 9.084 -15.073 -6.610 1.00 65.41 H new ATOM 0 HB2 GLU A 132 10.641 -16.075 -8.308 1.00 70.13 H new ATOM 0 HB3 GLU A 132 10.777 -17.516 -7.320 1.00 70.13 H new ATOM 0 HG2 GLU A 132 8.313 -17.915 -7.577 1.00 53.41 H new ATOM 0 HG3 GLU A 132 8.193 -16.485 -8.583 1.00 53.41 H new ATOM 2053 N GLU A 133 9.871 -17.375 -4.364 1.00 72.04 N ATOM 2054 CA GLU A 133 9.338 -18.155 -3.213 1.00 34.50 C ATOM 2055 C GLU A 133 8.481 -17.254 -2.285 1.00 35.24 C ATOM 2056 O GLU A 133 7.486 -17.700 -1.710 1.00 13.51 O ATOM 2057 CB GLU A 133 10.502 -18.810 -2.407 1.00 51.43 C ATOM 2058 CG GLU A 133 11.436 -17.807 -1.688 1.00 40.51 C ATOM 2059 CD GLU A 133 12.633 -18.464 -0.978 1.00 4.00 C ATOM 2060 OE1 GLU A 133 12.470 -18.952 0.161 1.00 53.10 O ATOM 2061 OE2 GLU A 133 13.738 -18.503 -1.565 1.00 71.51 O ATOM 0 H GLU A 133 10.890 -17.361 -4.412 1.00 72.04 H new ATOM 0 HA GLU A 133 8.700 -18.946 -3.608 1.00 34.50 H new ATOM 0 HB2 GLU A 133 10.077 -19.485 -1.665 1.00 51.43 H new ATOM 0 HB3 GLU A 133 11.099 -19.418 -3.087 1.00 51.43 H new ATOM 0 HG2 GLU A 133 11.809 -17.088 -2.417 1.00 40.51 H new ATOM 0 HG3 GLU A 133 10.855 -17.247 -0.955 1.00 40.51 H new ATOM 2068 N GLN A 134 8.882 -15.972 -2.183 1.00 3.01 N ATOM 2069 CA GLN A 134 8.182 -14.955 -1.383 1.00 54.11 C ATOM 2070 C GLN A 134 6.929 -14.473 -2.133 1.00 43.01 C ATOM 2071 O GLN A 134 5.867 -14.362 -1.555 1.00 51.02 O ATOM 2072 CB GLN A 134 9.129 -13.762 -1.098 1.00 71.42 C ATOM 2073 CG GLN A 134 8.467 -12.561 -0.384 1.00 54.12 C ATOM 2074 CD GLN A 134 9.380 -11.346 -0.280 1.00 11.53 C ATOM 2075 OE1 GLN A 134 10.258 -11.150 -1.106 1.00 51.03 O ATOM 2076 NE2 GLN A 134 9.153 -10.504 0.699 1.00 42.00 N ATOM 0 H GLN A 134 9.709 -15.612 -2.659 1.00 3.01 H new ATOM 0 HA GLN A 134 7.877 -15.394 -0.433 1.00 54.11 H new ATOM 0 HB2 GLN A 134 9.961 -14.115 -0.488 1.00 71.42 H new ATOM 0 HB3 GLN A 134 9.550 -13.417 -2.043 1.00 71.42 H new ATOM 0 HG2 GLN A 134 7.561 -12.281 -0.922 1.00 54.12 H new ATOM 0 HG3 GLN A 134 8.162 -12.865 0.617 1.00 54.12 H new ATOM 0 HE21 GLN A 134 8.412 -10.694 1.374 1.00 42.00 H new ATOM 0 HE22 GLN A 134 9.717 -9.658 0.786 1.00 42.00 H new ATOM 2085 N MET A 135 7.091 -14.217 -3.435 1.00 31.13 N ATOM 2086 CA MET A 135 6.017 -13.723 -4.335 1.00 61.14 C ATOM 2087 C MET A 135 4.810 -14.710 -4.407 1.00 75.25 C ATOM 2088 O MET A 135 3.644 -14.287 -4.402 1.00 63.32 O ATOM 2089 CB MET A 135 6.644 -13.462 -5.725 1.00 14.54 C ATOM 2090 CG MET A 135 5.671 -13.058 -6.830 1.00 2.42 C ATOM 2091 SD MET A 135 4.608 -11.673 -6.364 1.00 5.33 S ATOM 2092 CE MET A 135 3.775 -11.282 -7.903 1.00 42.21 C ATOM 0 H MET A 135 7.984 -14.346 -3.912 1.00 31.13 H new ATOM 0 HA MET A 135 5.603 -12.795 -3.940 1.00 61.14 H new ATOM 0 HB2 MET A 135 7.393 -12.677 -5.623 1.00 14.54 H new ATOM 0 HB3 MET A 135 7.168 -14.364 -6.041 1.00 14.54 H new ATOM 0 HG2 MET A 135 6.235 -12.791 -7.724 1.00 2.42 H new ATOM 0 HG3 MET A 135 5.049 -13.915 -7.090 1.00 2.42 H new ATOM 0 HE1 MET A 135 3.161 -10.391 -7.768 1.00 42.21 H new ATOM 0 HE2 MET A 135 4.516 -11.098 -8.681 1.00 42.21 H new ATOM 0 HE3 MET A 135 3.141 -12.119 -8.196 1.00 42.21 H new ATOM 2102 N GLN A 136 5.117 -16.019 -4.466 1.00 31.12 N ATOM 2103 CA GLN A 136 4.107 -17.099 -4.339 1.00 30.00 C ATOM 2104 C GLN A 136 3.441 -17.056 -2.940 1.00 31.33 C ATOM 2105 O GLN A 136 2.218 -17.041 -2.831 1.00 52.41 O ATOM 2106 CB GLN A 136 4.766 -18.489 -4.560 1.00 14.11 C ATOM 2107 CG GLN A 136 5.297 -18.759 -5.987 1.00 2.32 C ATOM 2108 CD GLN A 136 4.203 -18.878 -7.053 1.00 61.03 C ATOM 2109 OE1 GLN A 136 4.533 -18.575 -8.292 1.00 41.10 O flip ATOM 2110 NE2 GLN A 136 3.077 -19.282 -6.776 1.00 63.33 N flip ATOM 0 H GLN A 136 6.068 -16.362 -4.602 1.00 31.12 H new ATOM 0 HA GLN A 136 3.344 -16.942 -5.102 1.00 30.00 H new ATOM 0 HB2 GLN A 136 5.593 -18.594 -3.858 1.00 14.11 H new ATOM 0 HB3 GLN A 136 4.037 -19.260 -4.311 1.00 14.11 H new ATOM 0 HG2 GLN A 136 5.976 -17.954 -6.268 1.00 2.32 H new ATOM 0 HG3 GLN A 136 5.881 -19.680 -5.977 1.00 2.32 H new ATOM 0 HE21 GLN A 136 2.841 -19.511 -5.811 1.00 63.33 H new ATOM 0 HE22 GLN A 136 2.378 -19.388 -7.511 1.00 63.33 H new ATOM 2119 N LYS A 137 4.292 -17.011 -1.892 1.00 51.10 N ATOM 2120 CA LYS A 137 3.878 -16.966 -0.455 1.00 23.30 C ATOM 2121 C LYS A 137 2.910 -15.782 -0.158 1.00 24.51 C ATOM 2122 O LYS A 137 1.966 -15.916 0.625 1.00 64.32 O ATOM 2123 CB LYS A 137 5.158 -16.863 0.422 1.00 3.33 C ATOM 2124 CG LYS A 137 4.941 -16.814 1.948 1.00 34.15 C ATOM 2125 CD LYS A 137 4.366 -18.128 2.535 1.00 3.04 C ATOM 2126 CE LYS A 137 4.244 -18.066 4.068 1.00 72.24 C ATOM 2127 NZ LYS A 137 3.785 -19.344 4.660 1.00 22.42 N ATOM 0 H LYS A 137 5.305 -17.004 -2.013 1.00 51.10 H new ATOM 0 HA LYS A 137 3.330 -17.878 -0.219 1.00 23.30 H new ATOM 0 HB2 LYS A 137 5.797 -17.716 0.195 1.00 3.33 H new ATOM 0 HB3 LYS A 137 5.704 -15.968 0.126 1.00 3.33 H new ATOM 0 HG2 LYS A 137 5.891 -16.593 2.435 1.00 34.15 H new ATOM 0 HG3 LYS A 137 4.264 -15.993 2.184 1.00 34.15 H new ATOM 0 HD2 LYS A 137 3.385 -18.321 2.100 1.00 3.04 H new ATOM 0 HD3 LYS A 137 5.009 -18.963 2.255 1.00 3.04 H new ATOM 0 HE2 LYS A 137 5.211 -17.800 4.494 1.00 72.24 H new ATOM 0 HE3 LYS A 137 3.547 -17.274 4.341 1.00 72.24 H new ATOM 0 HZ1 LYS A 137 4.309 -19.527 5.539 1.00 22.42 H new ATOM 0 HZ2 LYS A 137 2.768 -19.284 4.869 1.00 22.42 H new ATOM 0 HZ3 LYS A 137 3.955 -20.119 3.988 1.00 22.42 H new ATOM 2141 N MET A 138 3.163 -14.638 -0.812 1.00 61.54 N ATOM 2142 CA MET A 138 2.320 -13.428 -0.715 1.00 54.31 C ATOM 2143 C MET A 138 0.913 -13.700 -1.281 1.00 51.15 C ATOM 2144 O MET A 138 -0.097 -13.352 -0.669 1.00 34.30 O ATOM 2145 CB MET A 138 2.984 -12.262 -1.497 1.00 44.14 C ATOM 2146 CG MET A 138 4.341 -11.765 -0.953 1.00 3.54 C ATOM 2147 SD MET A 138 4.211 -10.637 0.457 1.00 51.24 S ATOM 2148 CE MET A 138 4.076 -11.757 1.843 1.00 13.41 C ATOM 0 H MET A 138 3.966 -14.522 -1.430 1.00 61.54 H new ATOM 0 HA MET A 138 2.225 -13.154 0.336 1.00 54.31 H new ATOM 0 HB2 MET A 138 3.124 -12.578 -2.531 1.00 44.14 H new ATOM 0 HB3 MET A 138 2.291 -11.421 -1.512 1.00 44.14 H new ATOM 0 HG2 MET A 138 4.939 -12.628 -0.659 1.00 3.54 H new ATOM 0 HG3 MET A 138 4.879 -11.263 -1.757 1.00 3.54 H new ATOM 0 HE1 MET A 138 4.647 -11.365 2.685 1.00 13.41 H new ATOM 0 HE2 MET A 138 3.029 -11.857 2.130 1.00 13.41 H new ATOM 0 HE3 MET A 138 4.469 -12.734 1.561 1.00 13.41 H new ATOM 2158 N ALA A 139 0.882 -14.324 -2.467 1.00 33.22 N ATOM 2159 CA ALA A 139 -0.367 -14.699 -3.154 1.00 61.04 C ATOM 2160 C ALA A 139 -1.196 -15.726 -2.338 1.00 42.33 C ATOM 2161 O ALA A 139 -2.433 -15.698 -2.358 1.00 15.22 O ATOM 2162 CB ALA A 139 -0.032 -15.234 -4.549 1.00 14.12 C ATOM 0 H ALA A 139 1.724 -14.585 -2.980 1.00 33.22 H new ATOM 0 HA ALA A 139 -0.991 -13.811 -3.249 1.00 61.04 H new ATOM 0 HB1 ALA A 139 -0.952 -15.513 -5.062 1.00 14.12 H new ATOM 0 HB2 ALA A 139 0.483 -14.462 -5.121 1.00 14.12 H new ATOM 0 HB3 ALA A 139 0.612 -16.108 -4.458 1.00 14.12 H new ATOM 2168 N GLU A 140 -0.492 -16.614 -1.607 1.00 12.54 N ATOM 2169 CA GLU A 140 -1.118 -17.577 -0.669 1.00 1.44 C ATOM 2170 C GLU A 140 -1.758 -16.842 0.543 1.00 33.32 C ATOM 2171 O GLU A 140 -2.759 -17.300 1.101 1.00 63.24 O ATOM 2172 CB GLU A 140 -0.063 -18.607 -0.169 1.00 53.21 C ATOM 2173 CG GLU A 140 0.691 -19.382 -1.277 1.00 11.44 C ATOM 2174 CD GLU A 140 -0.228 -20.196 -2.206 1.00 62.42 C ATOM 2175 OE1 GLU A 140 -0.744 -21.246 -1.767 1.00 31.43 O ATOM 2176 OE2 GLU A 140 -0.446 -19.789 -3.372 1.00 40.23 O ATOM 0 H GLU A 140 0.525 -16.686 -1.648 1.00 12.54 H new ATOM 0 HA GLU A 140 -1.907 -18.105 -1.205 1.00 1.44 H new ATOM 0 HB2 GLU A 140 0.669 -18.082 0.445 1.00 53.21 H new ATOM 0 HB3 GLU A 140 -0.563 -19.328 0.478 1.00 53.21 H new ATOM 0 HG2 GLU A 140 1.262 -18.674 -1.877 1.00 11.44 H new ATOM 0 HG3 GLU A 140 1.409 -20.057 -0.810 1.00 11.44 H new ATOM 2183 N MET A 141 -1.152 -15.702 0.937 1.00 41.53 N ATOM 2184 CA MET A 141 -1.670 -14.816 2.014 1.00 53.14 C ATOM 2185 C MET A 141 -2.803 -13.872 1.518 1.00 51.13 C ATOM 2186 O MET A 141 -3.382 -13.128 2.321 1.00 34.12 O ATOM 2187 CB MET A 141 -0.503 -13.972 2.597 1.00 0.03 C ATOM 2188 CG MET A 141 0.556 -14.786 3.354 1.00 61.52 C ATOM 2189 SD MET A 141 -0.109 -15.606 4.823 1.00 34.53 S ATOM 2190 CE MET A 141 -0.681 -14.214 5.808 1.00 74.23 C ATOM 0 H MET A 141 -0.285 -15.364 0.518 1.00 41.53 H new ATOM 0 HA MET A 141 -2.099 -15.456 2.785 1.00 53.14 H new ATOM 0 HB2 MET A 141 -0.017 -13.436 1.782 1.00 0.03 H new ATOM 0 HB3 MET A 141 -0.916 -13.221 3.271 1.00 0.03 H new ATOM 0 HG2 MET A 141 0.978 -15.536 2.685 1.00 61.52 H new ATOM 0 HG3 MET A 141 1.372 -14.126 3.650 1.00 61.52 H new ATOM 0 HE1 MET A 141 -0.863 -14.543 6.831 1.00 74.23 H new ATOM 0 HE2 MET A 141 0.078 -13.432 5.808 1.00 74.23 H new ATOM 0 HE3 MET A 141 -1.605 -13.823 5.383 1.00 74.23 H new ATOM 2200 N GLY A 142 -3.107 -13.905 0.205 1.00 40.10 N ATOM 2201 CA GLY A 142 -4.128 -13.022 -0.391 1.00 52.43 C ATOM 2202 C GLY A 142 -3.659 -11.566 -0.523 1.00 30.15 C ATOM 2203 O GLY A 142 -4.437 -10.627 -0.299 1.00 22.50 O ATOM 0 H GLY A 142 -2.660 -14.534 -0.462 1.00 40.10 H new ATOM 0 HA2 GLY A 142 -4.398 -13.402 -1.376 1.00 52.43 H new ATOM 0 HA3 GLY A 142 -5.030 -13.053 0.221 1.00 52.43 H new ATOM 2207 N MET A 143 -2.370 -11.389 -0.886 1.00 34.32 N ATOM 2208 CA MET A 143 -1.754 -10.056 -1.091 1.00 74.15 C ATOM 2209 C MET A 143 -2.452 -9.280 -2.224 1.00 51.02 C ATOM 2210 O MET A 143 -2.874 -8.143 -2.023 1.00 25.31 O ATOM 2211 CB MET A 143 -0.240 -10.198 -1.405 1.00 43.21 C ATOM 2212 CG MET A 143 0.488 -8.882 -1.748 1.00 5.41 C ATOM 2213 SD MET A 143 0.428 -7.657 -0.416 1.00 71.53 S ATOM 2214 CE MET A 143 1.466 -8.412 0.839 1.00 75.42 C ATOM 0 H MET A 143 -1.726 -12.164 -1.045 1.00 34.32 H new ATOM 0 HA MET A 143 -1.877 -9.493 -0.166 1.00 74.15 H new ATOM 0 HB2 MET A 143 0.252 -10.652 -0.545 1.00 43.21 H new ATOM 0 HB3 MET A 143 -0.122 -10.888 -2.241 1.00 43.21 H new ATOM 0 HG2 MET A 143 1.530 -9.102 -1.982 1.00 5.41 H new ATOM 0 HG3 MET A 143 0.043 -8.453 -2.646 1.00 5.41 H new ATOM 0 HE1 MET A 143 1.280 -7.934 1.801 1.00 75.42 H new ATOM 0 HE2 MET A 143 1.235 -9.475 0.911 1.00 75.42 H new ATOM 0 HE3 MET A 143 2.514 -8.286 0.568 1.00 75.42 H new ATOM 2224 N GLU A 144 -2.597 -9.930 -3.396 1.00 43.11 N ATOM 2225 CA GLU A 144 -3.085 -9.259 -4.620 1.00 52.33 C ATOM 2226 C GLU A 144 -4.531 -8.723 -4.466 1.00 25.22 C ATOM 2227 O GLU A 144 -4.812 -7.570 -4.824 1.00 62.33 O ATOM 2228 CB GLU A 144 -2.951 -10.164 -5.897 1.00 44.54 C ATOM 2229 CG GLU A 144 -3.863 -11.411 -5.975 1.00 20.33 C ATOM 2230 CD GLU A 144 -3.506 -12.493 -4.956 1.00 53.14 C ATOM 2231 OE1 GLU A 144 -2.637 -13.328 -5.258 1.00 63.53 O ATOM 2232 OE2 GLU A 144 -4.077 -12.496 -3.842 1.00 2.15 O ATOM 0 H GLU A 144 -2.383 -10.919 -3.522 1.00 43.11 H new ATOM 0 HA GLU A 144 -2.433 -8.397 -4.764 1.00 52.33 H new ATOM 0 HB2 GLU A 144 -3.148 -9.545 -6.772 1.00 44.54 H new ATOM 0 HB3 GLU A 144 -1.916 -10.497 -5.969 1.00 44.54 H new ATOM 0 HG2 GLU A 144 -4.898 -11.105 -5.820 1.00 20.33 H new ATOM 0 HG3 GLU A 144 -3.802 -11.834 -6.978 1.00 20.33 H new ATOM 2239 N GLU A 145 -5.435 -9.558 -3.915 1.00 21.13 N ATOM 2240 CA GLU A 145 -6.854 -9.190 -3.731 1.00 73.43 C ATOM 2241 C GLU A 145 -7.034 -8.221 -2.545 1.00 73.42 C ATOM 2242 O GLU A 145 -7.667 -7.183 -2.694 1.00 63.33 O ATOM 2243 CB GLU A 145 -7.732 -10.444 -3.520 1.00 41.43 C ATOM 2244 CG GLU A 145 -7.675 -11.475 -4.667 1.00 41.43 C ATOM 2245 CD GLU A 145 -8.742 -12.581 -4.533 1.00 72.43 C ATOM 2246 OE1 GLU A 145 -8.876 -13.161 -3.433 1.00 45.20 O ATOM 2247 OE2 GLU A 145 -9.481 -12.841 -5.511 1.00 15.12 O ATOM 0 H GLU A 145 -5.206 -10.497 -3.588 1.00 21.13 H new ATOM 0 HA GLU A 145 -7.175 -8.686 -4.642 1.00 73.43 H new ATOM 0 HB2 GLU A 145 -7.426 -10.933 -2.595 1.00 41.43 H new ATOM 0 HB3 GLU A 145 -8.766 -10.128 -3.386 1.00 41.43 H new ATOM 0 HG2 GLU A 145 -7.810 -10.960 -5.618 1.00 41.43 H new ATOM 0 HG3 GLU A 145 -6.686 -11.932 -4.689 1.00 41.43 H new ATOM 2254 N GLY A 146 -6.453 -8.568 -1.377 1.00 5.15 N ATOM 2255 CA GLY A 146 -6.569 -7.741 -0.156 1.00 61.45 C ATOM 2256 C GLY A 146 -6.065 -6.294 -0.329 1.00 35.41 C ATOM 2257 O GLY A 146 -6.648 -5.350 0.225 1.00 51.35 O ATOM 0 H GLY A 146 -5.899 -9.415 -1.253 1.00 5.15 H new ATOM 0 HA2 GLY A 146 -7.613 -7.716 0.156 1.00 61.45 H new ATOM 0 HA3 GLY A 146 -6.007 -8.217 0.648 1.00 61.45 H new ATOM 2261 N MET A 147 -4.984 -6.140 -1.118 1.00 62.40 N ATOM 2262 CA MET A 147 -4.407 -4.822 -1.470 1.00 20.11 C ATOM 2263 C MET A 147 -5.317 -4.049 -2.463 1.00 52.32 C ATOM 2264 O MET A 147 -5.490 -2.833 -2.338 1.00 71.35 O ATOM 2265 CB MET A 147 -2.997 -5.018 -2.076 1.00 74.42 C ATOM 2266 CG MET A 147 -2.273 -3.728 -2.463 1.00 54.02 C ATOM 2267 SD MET A 147 -0.672 -4.040 -3.236 1.00 12.31 S ATOM 2268 CE MET A 147 -0.199 -2.379 -3.703 1.00 22.32 C ATOM 0 H MET A 147 -4.483 -6.926 -1.532 1.00 62.40 H new ATOM 0 HA MET A 147 -4.333 -4.227 -0.560 1.00 20.11 H new ATOM 0 HB2 MET A 147 -2.382 -5.560 -1.358 1.00 74.42 H new ATOM 0 HB3 MET A 147 -3.083 -5.648 -2.961 1.00 74.42 H new ATOM 0 HG2 MET A 147 -2.898 -3.156 -3.148 1.00 54.02 H new ATOM 0 HG3 MET A 147 -2.130 -3.114 -1.574 1.00 54.02 H new ATOM 0 HE1 MET A 147 0.658 -2.420 -4.375 1.00 22.32 H new ATOM 0 HE2 MET A 147 -1.033 -1.891 -4.208 1.00 22.32 H new ATOM 0 HE3 MET A 147 0.067 -1.812 -2.811 1.00 22.32 H new ATOM 2278 N ARG A 148 -5.878 -4.770 -3.455 1.00 55.33 N ATOM 2279 CA ARG A 148 -6.814 -4.182 -4.447 1.00 14.43 C ATOM 2280 C ARG A 148 -8.095 -3.630 -3.760 1.00 23.42 C ATOM 2281 O ARG A 148 -8.516 -2.507 -4.036 1.00 2.41 O ATOM 2282 CB ARG A 148 -7.209 -5.227 -5.521 1.00 3.23 C ATOM 2283 CG ARG A 148 -8.270 -4.714 -6.524 1.00 35.44 C ATOM 2284 CD ARG A 148 -8.832 -5.805 -7.442 1.00 51.10 C ATOM 2285 NE ARG A 148 -10.036 -5.328 -8.146 1.00 11.51 N ATOM 2286 CZ ARG A 148 -10.366 -5.587 -9.386 1.00 53.31 C ATOM 2287 NH1 ARG A 148 -9.655 -6.370 -10.135 1.00 51.44 N ATOM 2288 NH2 ARG A 148 -11.442 -5.057 -9.859 1.00 64.43 N ATOM 0 H ARG A 148 -5.701 -5.765 -3.594 1.00 55.33 H new ATOM 0 HA ARG A 148 -6.295 -3.354 -4.929 1.00 14.43 H new ATOM 0 HB2 ARG A 148 -6.316 -5.526 -6.070 1.00 3.23 H new ATOM 0 HB3 ARG A 148 -7.592 -6.119 -5.025 1.00 3.23 H new ATOM 0 HG2 ARG A 148 -9.091 -4.260 -5.969 1.00 35.44 H new ATOM 0 HG3 ARG A 148 -7.827 -3.929 -7.137 1.00 35.44 H new ATOM 0 HD2 ARG A 148 -8.075 -6.102 -8.168 1.00 51.10 H new ATOM 0 HD3 ARG A 148 -9.075 -6.691 -6.855 1.00 51.10 H new ATOM 0 HE ARG A 148 -10.675 -4.738 -7.614 1.00 11.51 H new ATOM 0 HH11 ARG A 148 -8.811 -6.805 -9.762 1.00 51.44 H new ATOM 0 HH12 ARG A 148 -9.939 -6.552 -11.098 1.00 51.44 H new ATOM 0 HH21 ARG A 148 -12.014 -4.452 -9.270 1.00 64.43 H new ATOM 0 HH22 ARG A 148 -11.721 -5.243 -10.822 1.00 64.43 H new ATOM 2302 N GLU A 149 -8.688 -4.448 -2.868 1.00 1.22 N ATOM 2303 CA GLU A 149 -9.910 -4.101 -2.093 1.00 71.20 C ATOM 2304 C GLU A 149 -9.696 -2.830 -1.242 1.00 63.13 C ATOM 2305 O GLU A 149 -10.612 -2.013 -1.084 1.00 41.33 O ATOM 2306 CB GLU A 149 -10.303 -5.299 -1.194 1.00 12.20 C ATOM 2307 CG GLU A 149 -10.713 -6.564 -1.968 1.00 3.43 C ATOM 2308 CD GLU A 149 -10.888 -7.782 -1.054 1.00 4.24 C ATOM 2309 OE1 GLU A 149 -11.760 -7.733 -0.159 1.00 23.32 O ATOM 2310 OE2 GLU A 149 -10.165 -8.794 -1.221 1.00 23.45 O ATOM 0 H GLU A 149 -8.333 -5.381 -2.658 1.00 1.22 H new ATOM 0 HA GLU A 149 -10.719 -3.890 -2.793 1.00 71.20 H new ATOM 0 HB2 GLU A 149 -9.462 -5.542 -0.544 1.00 12.20 H new ATOM 0 HB3 GLU A 149 -11.129 -4.999 -0.549 1.00 12.20 H new ATOM 0 HG2 GLU A 149 -11.646 -6.375 -2.498 1.00 3.43 H new ATOM 0 HG3 GLU A 149 -9.957 -6.785 -2.722 1.00 3.43 H new ATOM 2317 N ALA A 150 -8.467 -2.690 -0.706 1.00 21.45 N ATOM 2318 CA ALA A 150 -8.007 -1.465 -0.013 1.00 41.05 C ATOM 2319 C ALA A 150 -8.091 -0.226 -0.941 1.00 44.13 C ATOM 2320 O ALA A 150 -8.646 0.815 -0.575 1.00 34.44 O ATOM 2321 CB ALA A 150 -6.557 -1.664 0.483 1.00 11.33 C ATOM 0 H ALA A 150 -7.761 -3.425 -0.741 1.00 21.45 H new ATOM 0 HA ALA A 150 -8.662 -1.286 0.839 1.00 41.05 H new ATOM 0 HB1 ALA A 150 -6.220 -0.762 0.993 1.00 11.33 H new ATOM 0 HB2 ALA A 150 -6.521 -2.506 1.174 1.00 11.33 H new ATOM 0 HB3 ALA A 150 -5.906 -1.865 -0.368 1.00 11.33 H new ATOM 2327 N ILE A 151 -7.541 -0.374 -2.156 1.00 22.52 N ATOM 2328 CA ILE A 151 -7.486 0.703 -3.174 1.00 54.32 C ATOM 2329 C ILE A 151 -8.893 1.043 -3.754 1.00 14.30 C ATOM 2330 O ILE A 151 -9.152 2.169 -4.207 1.00 12.43 O ATOM 2331 CB ILE A 151 -6.459 0.312 -4.301 1.00 1.54 C ATOM 2332 CG1 ILE A 151 -5.034 0.106 -3.678 1.00 40.41 C ATOM 2333 CG2 ILE A 151 -6.416 1.358 -5.438 1.00 74.43 C ATOM 2334 CD1 ILE A 151 -3.967 -0.379 -4.642 1.00 42.11 C ATOM 0 H ILE A 151 -7.117 -1.248 -2.468 1.00 22.52 H new ATOM 0 HA ILE A 151 -7.140 1.616 -2.690 1.00 54.32 H new ATOM 0 HB ILE A 151 -6.794 -0.625 -4.746 1.00 1.54 H new ATOM 0 HG12 ILE A 151 -4.706 1.050 -3.244 1.00 40.41 H new ATOM 0 HG13 ILE A 151 -5.114 -0.610 -2.860 1.00 40.41 H new ATOM 0 HG21 ILE A 151 -5.694 1.046 -6.192 1.00 74.43 H new ATOM 0 HG22 ILE A 151 -7.403 1.442 -5.893 1.00 74.43 H new ATOM 0 HG23 ILE A 151 -6.121 2.325 -5.031 1.00 74.43 H new ATOM 0 HD11 ILE A 151 -3.021 -0.489 -4.112 1.00 42.11 H new ATOM 0 HD12 ILE A 151 -4.264 -1.342 -5.059 1.00 42.11 H new ATOM 0 HD13 ILE A 151 -3.849 0.345 -5.449 1.00 42.11 H new ATOM 2346 N GLU A 152 -9.810 0.071 -3.705 1.00 24.22 N ATOM 2347 CA GLU A 152 -11.229 0.271 -4.081 1.00 23.31 C ATOM 2348 C GLU A 152 -12.048 0.867 -2.903 1.00 45.10 C ATOM 2349 O GLU A 152 -13.155 1.369 -3.103 1.00 0.24 O ATOM 2350 CB GLU A 152 -11.830 -1.070 -4.584 1.00 43.45 C ATOM 2351 CG GLU A 152 -11.131 -1.614 -5.847 1.00 73.34 C ATOM 2352 CD GLU A 152 -11.667 -2.973 -6.334 1.00 3.21 C ATOM 2353 OE1 GLU A 152 -11.550 -3.965 -5.583 1.00 31.11 O ATOM 2354 OE2 GLU A 152 -12.184 -3.067 -7.474 1.00 41.30 O ATOM 0 H GLU A 152 -9.597 -0.880 -3.404 1.00 24.22 H new ATOM 0 HA GLU A 152 -11.281 0.996 -4.893 1.00 23.31 H new ATOM 0 HB2 GLU A 152 -11.760 -1.813 -3.789 1.00 43.45 H new ATOM 0 HB3 GLU A 152 -12.890 -0.929 -4.796 1.00 43.45 H new ATOM 0 HG2 GLU A 152 -11.240 -0.885 -6.650 1.00 73.34 H new ATOM 0 HG3 GLU A 152 -10.064 -1.709 -5.645 1.00 73.34 H new ATOM 2361 N GLN A 153 -11.477 0.821 -1.681 1.00 75.24 N ATOM 2362 CA GLN A 153 -12.087 1.420 -0.468 1.00 13.11 C ATOM 2363 C GLN A 153 -11.586 2.883 -0.245 1.00 24.34 C ATOM 2364 O GLN A 153 -12.146 3.621 0.575 1.00 35.32 O ATOM 2365 CB GLN A 153 -11.793 0.516 0.761 1.00 52.12 C ATOM 2366 CG GLN A 153 -12.634 0.834 2.018 1.00 10.13 C ATOM 2367 CD GLN A 153 -12.538 -0.251 3.096 1.00 21.13 C ATOM 2368 OE1 GLN A 153 -11.606 -0.119 4.007 1.00 63.32 O flip ATOM 2369 NE2 GLN A 153 -13.310 -1.196 3.102 1.00 23.32 N flip ATOM 0 H GLN A 153 -10.580 0.368 -1.504 1.00 75.24 H new ATOM 0 HA GLN A 153 -13.167 1.478 -0.604 1.00 13.11 H new ATOM 0 HB2 GLN A 153 -11.966 -0.523 0.479 1.00 52.12 H new ATOM 0 HB3 GLN A 153 -10.737 0.606 1.016 1.00 52.12 H new ATOM 0 HG2 GLN A 153 -12.304 1.785 2.437 1.00 10.13 H new ATOM 0 HG3 GLN A 153 -13.677 0.958 1.728 1.00 10.13 H new ATOM 0 HE21 GLN A 153 -14.026 -1.274 2.380 1.00 23.32 H new ATOM 0 HE22 GLN A 153 -13.239 -1.908 3.829 1.00 23.32 H new ATOM 2378 N ILE A 154 -10.521 3.290 -0.991 1.00 64.34 N ATOM 2379 CA ILE A 154 -10.093 4.724 -1.102 1.00 60.23 C ATOM 2380 C ILE A 154 -11.268 5.614 -1.575 1.00 34.21 C ATOM 2381 O ILE A 154 -11.385 6.778 -1.173 1.00 13.41 O ATOM 2382 CB ILE A 154 -8.884 4.894 -2.103 1.00 15.54 C ATOM 2383 CG1 ILE A 154 -7.640 4.104 -1.603 1.00 43.14 C ATOM 2384 CG2 ILE A 154 -8.527 6.390 -2.340 1.00 72.42 C ATOM 2385 CD1 ILE A 154 -6.446 4.110 -2.552 1.00 62.12 C ATOM 0 H ILE A 154 -9.939 2.647 -1.528 1.00 64.34 H new ATOM 0 HA ILE A 154 -9.773 5.037 -0.108 1.00 60.23 H new ATOM 0 HB ILE A 154 -9.198 4.481 -3.062 1.00 15.54 H new ATOM 0 HG12 ILE A 154 -7.326 4.520 -0.646 1.00 43.14 H new ATOM 0 HG13 ILE A 154 -7.934 3.070 -1.421 1.00 43.14 H new ATOM 0 HG21 ILE A 154 -7.690 6.459 -3.035 1.00 72.42 H new ATOM 0 HG22 ILE A 154 -9.390 6.908 -2.759 1.00 72.42 H new ATOM 0 HG23 ILE A 154 -8.251 6.853 -1.393 1.00 72.42 H new ATOM 0 HD11 ILE A 154 -5.631 3.534 -2.115 1.00 62.12 H new ATOM 0 HD12 ILE A 154 -6.735 3.665 -3.504 1.00 62.12 H new ATOM 0 HD13 ILE A 154 -6.117 5.136 -2.717 1.00 62.12 H new ATOM 2397 N ASP A 155 -12.121 5.024 -2.430 1.00 11.23 N ATOM 2398 CA ASP A 155 -13.362 5.641 -2.933 1.00 25.40 C ATOM 2399 C ASP A 155 -14.221 6.205 -1.766 1.00 4.12 C ATOM 2400 O ASP A 155 -14.658 7.351 -1.810 1.00 25.23 O ATOM 2401 CB ASP A 155 -14.137 4.567 -3.738 1.00 13.43 C ATOM 2402 CG ASP A 155 -15.358 5.118 -4.491 1.00 53.41 C ATOM 2403 OD1 ASP A 155 -16.473 5.138 -3.926 1.00 50.44 O ATOM 2404 OD2 ASP A 155 -15.202 5.526 -5.659 1.00 24.00 O ATOM 0 H ASP A 155 -11.964 4.086 -2.799 1.00 11.23 H new ATOM 0 HA ASP A 155 -13.124 6.486 -3.579 1.00 25.40 H new ATOM 0 HB2 ASP A 155 -13.459 4.104 -4.454 1.00 13.43 H new ATOM 0 HB3 ASP A 155 -14.466 3.782 -3.057 1.00 13.43 H new ATOM 2409 N ALA A 156 -14.399 5.385 -0.712 1.00 21.01 N ATOM 2410 CA ALA A 156 -15.141 5.772 0.514 1.00 71.24 C ATOM 2411 C ALA A 156 -14.425 6.902 1.301 1.00 45.45 C ATOM 2412 O ALA A 156 -15.074 7.798 1.834 1.00 42.11 O ATOM 2413 CB ALA A 156 -15.339 4.540 1.416 1.00 3.25 C ATOM 0 H ALA A 156 -14.034 4.433 -0.682 1.00 21.01 H new ATOM 0 HA ALA A 156 -16.111 6.160 0.203 1.00 71.24 H new ATOM 0 HB1 ALA A 156 -15.884 4.830 2.314 1.00 3.25 H new ATOM 0 HB2 ALA A 156 -15.906 3.782 0.877 1.00 3.25 H new ATOM 0 HB3 ALA A 156 -14.367 4.135 1.697 1.00 3.25 H new ATOM 2419 N VAL A 157 -13.078 6.846 1.344 1.00 74.41 N ATOM 2420 CA VAL A 157 -12.234 7.804 2.117 1.00 73.14 C ATOM 2421 C VAL A 157 -12.302 9.236 1.522 1.00 22.03 C ATOM 2422 O VAL A 157 -12.317 10.233 2.252 1.00 13.41 O ATOM 2423 CB VAL A 157 -10.738 7.307 2.166 1.00 13.30 C ATOM 2424 CG1 VAL A 157 -9.824 8.265 2.978 1.00 23.22 C ATOM 2425 CG2 VAL A 157 -10.659 5.863 2.720 1.00 53.15 C ATOM 0 H VAL A 157 -12.537 6.139 0.847 1.00 74.41 H new ATOM 0 HA VAL A 157 -12.630 7.844 3.132 1.00 73.14 H new ATOM 0 HB VAL A 157 -10.365 7.308 1.142 1.00 13.30 H new ATOM 0 HG11 VAL A 157 -8.805 7.879 2.982 1.00 23.22 H new ATOM 0 HG12 VAL A 157 -9.836 9.254 2.520 1.00 23.22 H new ATOM 0 HG13 VAL A 157 -10.189 8.335 4.003 1.00 23.22 H new ATOM 0 HG21 VAL A 157 -9.618 5.539 2.745 1.00 53.15 H new ATOM 0 HG22 VAL A 157 -11.072 5.837 3.728 1.00 53.15 H new ATOM 0 HG23 VAL A 157 -11.231 5.195 2.077 1.00 53.15 H new ATOM 2435 N LEU A 158 -12.329 9.316 0.184 1.00 1.11 N ATOM 2436 CA LEU A 158 -12.444 10.594 -0.550 1.00 53.14 C ATOM 2437 C LEU A 158 -13.918 11.080 -0.649 1.00 2.42 C ATOM 2438 O LEU A 158 -14.161 12.270 -0.866 1.00 52.41 O ATOM 2439 CB LEU A 158 -11.824 10.446 -1.971 1.00 24.53 C ATOM 2440 CG LEU A 158 -10.336 9.965 -2.026 1.00 44.20 C ATOM 2441 CD1 LEU A 158 -9.830 9.869 -3.483 1.00 10.23 C ATOM 2442 CD2 LEU A 158 -9.416 10.866 -1.167 1.00 23.30 C ATOM 0 H LEU A 158 -12.272 8.499 -0.424 1.00 1.11 H new ATOM 0 HA LEU A 158 -11.893 11.350 0.010 1.00 53.14 H new ATOM 0 HB2 LEU A 158 -12.433 9.743 -2.540 1.00 24.53 H new ATOM 0 HB3 LEU A 158 -11.892 11.409 -2.477 1.00 24.53 H new ATOM 0 HG LEU A 158 -10.301 8.963 -1.599 1.00 44.20 H new ATOM 0 HD11 LEU A 158 -8.793 9.532 -3.487 1.00 10.23 H new ATOM 0 HD12 LEU A 158 -10.444 9.158 -4.035 1.00 10.23 H new ATOM 0 HD13 LEU A 158 -9.895 10.849 -3.956 1.00 10.23 H new ATOM 0 HD21 LEU A 158 -8.390 10.502 -1.229 1.00 23.30 H new ATOM 0 HD22 LEU A 158 -9.461 11.890 -1.537 1.00 23.30 H new ATOM 0 HD23 LEU A 158 -9.748 10.841 -0.129 1.00 23.30 H new ATOM 2454 N SER A 159 -14.892 10.156 -0.491 1.00 21.03 N ATOM 2455 CA SER A 159 -16.342 10.454 -0.702 1.00 42.23 C ATOM 2456 C SER A 159 -17.118 10.662 0.625 1.00 71.24 C ATOM 2457 O SER A 159 -18.255 11.156 0.592 1.00 14.31 O ATOM 2458 CB SER A 159 -16.998 9.323 -1.536 1.00 73.11 C ATOM 2459 OG SER A 159 -18.346 9.611 -1.885 1.00 34.24 O ATOM 0 H SER A 159 -14.707 9.191 -0.217 1.00 21.03 H new ATOM 0 HA SER A 159 -16.397 11.397 -1.246 1.00 42.23 H new ATOM 0 HB2 SER A 159 -16.418 9.164 -2.445 1.00 73.11 H new ATOM 0 HB3 SER A 159 -16.964 8.393 -0.969 1.00 73.11 H new ATOM 0 HG SER A 159 -18.693 10.315 -1.298 1.00 34.24 H new ATOM 2465 N GLU A 160 -16.516 10.298 1.786 1.00 55.14 N ATOM 2466 CA GLU A 160 -17.142 10.514 3.126 1.00 70.32 C ATOM 2467 C GLU A 160 -17.336 12.033 3.431 1.00 13.42 C ATOM 2468 O GLU A 160 -16.670 12.870 2.818 1.00 14.24 O ATOM 2469 CB GLU A 160 -16.333 9.755 4.242 1.00 41.42 C ATOM 2470 CG GLU A 160 -14.812 10.039 4.332 1.00 25.14 C ATOM 2471 CD GLU A 160 -14.434 11.329 5.084 1.00 32.12 C ATOM 2472 OE1 GLU A 160 -14.410 11.320 6.344 1.00 41.41 O ATOM 2473 OE2 GLU A 160 -14.132 12.345 4.428 1.00 74.15 O ATOM 0 H GLU A 160 -15.599 9.854 1.826 1.00 55.14 H new ATOM 0 HA GLU A 160 -18.144 10.085 3.116 1.00 70.32 H new ATOM 0 HB2 GLU A 160 -16.779 9.997 5.206 1.00 41.42 H new ATOM 0 HB3 GLU A 160 -16.468 8.684 4.088 1.00 41.42 H new ATOM 0 HG2 GLU A 160 -14.329 9.195 4.824 1.00 25.14 H new ATOM 0 HG3 GLU A 160 -14.407 10.094 3.321 1.00 25.14 H new ATOM 2480 N PRO A 161 -18.269 12.427 4.359 1.00 64.51 N ATOM 2481 CA PRO A 161 -18.652 13.861 4.553 1.00 32.04 C ATOM 2482 C PRO A 161 -17.622 14.756 5.329 1.00 22.44 C ATOM 2483 O PRO A 161 -18.031 15.768 5.910 1.00 72.22 O ATOM 2484 CB PRO A 161 -19.989 13.734 5.329 1.00 13.24 C ATOM 2485 CG PRO A 161 -19.817 12.494 6.151 1.00 1.01 C ATOM 2486 CD PRO A 161 -19.059 11.533 5.260 1.00 30.31 C ATOM 0 HA PRO A 161 -18.707 14.380 3.596 1.00 32.04 H new ATOM 0 HB2 PRO A 161 -20.170 14.607 5.957 1.00 13.24 H new ATOM 0 HB3 PRO A 161 -20.837 13.648 4.650 1.00 13.24 H new ATOM 0 HG2 PRO A 161 -19.264 12.702 7.067 1.00 1.01 H new ATOM 0 HG3 PRO A 161 -20.781 12.080 6.447 1.00 1.01 H new ATOM 0 HD2 PRO A 161 -18.411 10.877 5.840 1.00 30.31 H new ATOM 0 HD3 PRO A 161 -19.736 10.893 4.694 1.00 30.31 H new ATOM 2494 N ALA A 162 -16.312 14.392 5.309 1.00 12.25 N ATOM 2495 CA ALA A 162 -15.189 15.193 5.895 1.00 22.05 C ATOM 2496 C ALA A 162 -15.170 15.182 7.443 1.00 53.32 C ATOM 2497 O ALA A 162 -14.190 14.745 8.055 1.00 3.05 O ATOM 2498 CB ALA A 162 -15.157 16.637 5.341 1.00 30.12 C ATOM 0 H ALA A 162 -15.996 13.522 4.880 1.00 12.25 H new ATOM 0 HA ALA A 162 -14.275 14.693 5.575 1.00 22.05 H new ATOM 0 HB1 ALA A 162 -14.328 17.182 5.793 1.00 30.12 H new ATOM 0 HB2 ALA A 162 -15.026 16.609 4.259 1.00 30.12 H new ATOM 0 HB3 ALA A 162 -16.094 17.139 5.580 1.00 30.12 H new ATOM 2504 N ASN A 163 -16.252 15.692 8.059 1.00 24.11 N ATOM 2505 CA ASN A 163 -16.479 15.674 9.527 1.00 65.41 C ATOM 2506 C ASN A 163 -16.484 14.232 10.119 1.00 34.25 C ATOM 2507 O ASN A 163 -16.245 14.057 11.325 1.00 43.44 O ATOM 2508 CB ASN A 163 -17.826 16.399 9.830 1.00 5.11 C ATOM 2509 CG ASN A 163 -18.161 16.496 11.320 1.00 61.31 C ATOM 2510 OD1 ASN A 163 -17.801 17.457 11.995 1.00 54.44 O ATOM 2511 ND2 ASN A 163 -18.846 15.494 11.850 1.00 40.11 N ATOM 0 H ASN A 163 -17.012 16.138 7.545 1.00 24.11 H new ATOM 0 HA ASN A 163 -15.650 16.194 10.008 1.00 65.41 H new ATOM 0 HB2 ASN A 163 -17.788 17.404 9.411 1.00 5.11 H new ATOM 0 HB3 ASN A 163 -18.633 15.872 9.321 1.00 5.11 H new ATOM 0 HD21 ASN A 163 -19.087 15.509 12.841 1.00 40.11 H new ATOM 0 HD22 ASN A 163 -19.133 14.708 11.267 1.00 40.11 H new ATOM 2518 N ALA A 164 -16.756 13.222 9.262 1.00 60.34 N ATOM 2519 CA ALA A 164 -16.828 11.797 9.667 1.00 3.42 C ATOM 2520 C ALA A 164 -15.560 11.330 10.428 1.00 34.13 C ATOM 2521 O ALA A 164 -15.626 11.088 11.636 1.00 65.12 O ATOM 2522 CB ALA A 164 -17.086 10.907 8.439 1.00 32.43 C ATOM 0 H ALA A 164 -16.932 13.371 8.268 1.00 60.34 H new ATOM 0 HA ALA A 164 -17.663 11.700 10.361 1.00 3.42 H new ATOM 0 HB1 ALA A 164 -17.137 9.864 8.750 1.00 32.43 H new ATOM 0 HB2 ALA A 164 -18.029 11.193 7.974 1.00 32.43 H new ATOM 0 HB3 ALA A 164 -16.275 11.033 7.722 1.00 32.43 H new ATOM 2528 N LEU A 165 -14.413 11.242 9.712 1.00 75.11 N ATOM 2529 CA LEU A 165 -13.110 10.799 10.291 1.00 14.41 C ATOM 2530 C LEU A 165 -13.199 9.382 10.955 1.00 60.12 C ATOM 2531 O LEU A 165 -14.111 8.601 10.657 1.00 23.13 O ATOM 2532 CB LEU A 165 -12.576 11.868 11.299 1.00 24.41 C ATOM 2533 CG LEU A 165 -12.238 13.280 10.717 1.00 4.02 C ATOM 2534 CD1 LEU A 165 -11.775 14.237 11.839 1.00 42.14 C ATOM 2535 CD2 LEU A 165 -11.187 13.195 9.586 1.00 34.11 C ATOM 0 H LEU A 165 -14.359 11.474 8.720 1.00 75.11 H new ATOM 0 HA LEU A 165 -12.400 10.707 9.469 1.00 14.41 H new ATOM 0 HB2 LEU A 165 -13.320 11.994 12.086 1.00 24.41 H new ATOM 0 HB3 LEU A 165 -11.677 11.471 11.771 1.00 24.41 H new ATOM 0 HG LEU A 165 -13.150 13.685 10.279 1.00 4.02 H new ATOM 0 HD11 LEU A 165 -11.545 15.213 11.413 1.00 42.14 H new ATOM 0 HD12 LEU A 165 -12.569 14.342 12.578 1.00 42.14 H new ATOM 0 HD13 LEU A 165 -10.884 13.831 12.318 1.00 42.14 H new ATOM 0 HD21 LEU A 165 -10.978 14.196 9.207 1.00 34.11 H new ATOM 0 HD22 LEU A 165 -10.269 12.756 9.975 1.00 34.11 H new ATOM 0 HD23 LEU A 165 -11.572 12.574 8.777 1.00 34.11 H new ATOM 2547 N GLU A 166 -12.227 9.051 11.838 1.00 14.25 N ATOM 2548 CA GLU A 166 -12.190 7.758 12.581 1.00 11.14 C ATOM 2549 C GLU A 166 -12.335 7.972 14.113 1.00 71.51 C ATOM 2550 O GLU A 166 -11.744 7.236 14.920 1.00 50.11 O ATOM 2551 CB GLU A 166 -10.861 7.019 12.248 1.00 1.12 C ATOM 2552 CG GLU A 166 -10.690 6.652 10.760 1.00 23.42 C ATOM 2553 CD GLU A 166 -11.832 5.764 10.219 1.00 22.15 C ATOM 2554 OE1 GLU A 166 -11.880 4.567 10.568 1.00 34.24 O ATOM 2555 OE2 GLU A 166 -12.685 6.255 9.436 1.00 1.32 O ATOM 0 H GLU A 166 -11.445 9.668 12.059 1.00 14.25 H new ATOM 0 HA GLU A 166 -13.037 7.148 12.266 1.00 11.14 H new ATOM 0 HB2 GLU A 166 -10.024 7.647 12.553 1.00 1.12 H new ATOM 0 HB3 GLU A 166 -10.808 6.107 12.843 1.00 1.12 H new ATOM 0 HG2 GLU A 166 -10.639 7.567 10.170 1.00 23.42 H new ATOM 0 HG3 GLU A 166 -9.741 6.133 10.627 1.00 23.42 H new ATOM 2562 N HIS A 167 -13.156 8.965 14.512 1.00 15.24 N ATOM 2563 CA HIS A 167 -13.335 9.327 15.939 1.00 22.45 C ATOM 2564 C HIS A 167 -14.396 8.421 16.615 1.00 41.34 C ATOM 2565 O HIS A 167 -15.484 8.211 16.064 1.00 73.24 O ATOM 2566 CB HIS A 167 -13.693 10.838 16.092 1.00 22.24 C ATOM 2567 CG HIS A 167 -15.111 11.228 15.737 1.00 43.53 C ATOM 2568 ND1 HIS A 167 -15.575 11.325 14.444 1.00 10.44 N ATOM 2569 CD2 HIS A 167 -16.179 11.516 16.529 1.00 53.05 C ATOM 2570 CE1 HIS A 167 -16.849 11.661 14.456 1.00 63.31 C ATOM 2571 NE2 HIS A 167 -17.240 11.778 15.704 1.00 54.41 N ATOM 0 H HIS A 167 -13.707 9.533 13.868 1.00 15.24 H new ATOM 0 HA HIS A 167 -12.387 9.160 16.451 1.00 22.45 H new ATOM 0 HB2 HIS A 167 -13.505 11.132 17.125 1.00 22.24 H new ATOM 0 HB3 HIS A 167 -13.012 11.416 15.467 1.00 22.24 H new ATOM 0 HD1 HIS A 167 -15.018 11.162 13.605 1.00 10.44 H new ATOM 0 HD2 HIS A 167 -16.188 11.535 17.609 1.00 53.05 H new ATOM 0 HE1 HIS A 167 -17.468 11.815 13.585 1.00 63.31 H new ATOM 2580 N HIS A 168 -14.053 7.870 17.797 1.00 3.31 N ATOM 2581 CA HIS A 168 -14.976 7.019 18.596 1.00 44.10 C ATOM 2582 C HIS A 168 -14.437 6.784 20.032 1.00 34.31 C ATOM 2583 O HIS A 168 -14.804 5.801 20.688 1.00 71.33 O ATOM 2584 CB HIS A 168 -15.250 5.666 17.879 1.00 11.10 C ATOM 2585 CG HIS A 168 -14.016 4.868 17.541 1.00 42.24 C ATOM 2586 ND1 HIS A 168 -13.411 4.010 18.431 1.00 3.33 N ATOM 2587 CD2 HIS A 168 -13.285 4.794 16.404 1.00 72.33 C ATOM 2588 CE1 HIS A 168 -12.369 3.444 17.862 1.00 15.23 C ATOM 2589 NE2 HIS A 168 -12.268 3.902 16.631 1.00 21.02 N ATOM 0 H HIS A 168 -13.137 7.997 18.227 1.00 3.31 H new ATOM 0 HA HIS A 168 -15.921 7.555 18.682 1.00 44.10 H new ATOM 0 HB2 HIS A 168 -15.896 5.059 18.514 1.00 11.10 H new ATOM 0 HB3 HIS A 168 -15.801 5.863 16.960 1.00 11.10 H new ATOM 0 HD2 HIS A 168 -13.468 5.336 15.488 1.00 72.33 H new ATOM 0 HE1 HIS A 168 -11.709 2.726 18.325 1.00 15.23 H new ATOM 0 HE2 HIS A 168 -11.550 3.637 15.956 1.00 21.02 H new ATOM 2598 N HIS A 169 -13.585 7.706 20.520 1.00 40.44 N ATOM 2599 CA HIS A 169 -13.019 7.649 21.890 1.00 55.33 C ATOM 2600 C HIS A 169 -13.727 8.673 22.814 1.00 34.01 C ATOM 2601 O HIS A 169 -14.005 9.805 22.402 1.00 20.32 O ATOM 2602 CB HIS A 169 -11.490 7.913 21.845 1.00 13.34 C ATOM 2603 CG HIS A 169 -10.787 7.727 23.171 1.00 54.10 C ATOM 2604 ND1 HIS A 169 -10.452 6.488 23.672 1.00 21.04 N ATOM 2605 CD2 HIS A 169 -10.375 8.625 24.103 1.00 34.05 C ATOM 2606 CE1 HIS A 169 -9.872 6.628 24.846 1.00 20.44 C ATOM 2607 NE2 HIS A 169 -9.810 7.912 25.133 1.00 72.44 N ATOM 0 H HIS A 169 -13.268 8.511 19.980 1.00 40.44 H new ATOM 0 HA HIS A 169 -13.187 6.653 22.299 1.00 55.33 H new ATOM 0 HB2 HIS A 169 -11.039 7.245 21.111 1.00 13.34 H new ATOM 0 HB3 HIS A 169 -11.319 8.931 21.496 1.00 13.34 H new ATOM 0 HD2 HIS A 169 -10.473 9.699 24.045 1.00 34.05 H new ATOM 0 HE1 HIS A 169 -9.508 5.824 25.469 1.00 20.44 H new ATOM 0 HE2 HIS A 169 -9.408 8.312 25.981 1.00 72.44 H new ATOM 2616 N HIS A 170 -14.005 8.264 24.068 1.00 35.43 N ATOM 2617 CA HIS A 170 -14.565 9.173 25.098 1.00 72.04 C ATOM 2618 C HIS A 170 -13.496 10.197 25.566 1.00 11.32 C ATOM 2619 O HIS A 170 -12.573 9.853 26.310 1.00 33.34 O ATOM 2620 CB HIS A 170 -15.115 8.366 26.310 1.00 52.42 C ATOM 2621 CG HIS A 170 -16.286 7.475 25.986 1.00 25.20 C ATOM 2622 ND1 HIS A 170 -16.259 6.105 26.138 1.00 14.10 N ATOM 2623 CD2 HIS A 170 -17.529 7.768 25.536 1.00 75.54 C ATOM 2624 CE1 HIS A 170 -17.427 5.597 25.802 1.00 73.51 C ATOM 2625 NE2 HIS A 170 -18.215 6.582 25.430 1.00 43.00 N ATOM 0 H HIS A 170 -13.852 7.310 24.396 1.00 35.43 H new ATOM 0 HA HIS A 170 -15.393 9.721 24.650 1.00 72.04 H new ATOM 0 HB2 HIS A 170 -14.311 7.754 26.718 1.00 52.42 H new ATOM 0 HB3 HIS A 170 -15.412 9.065 27.092 1.00 52.42 H new ATOM 0 HD2 HIS A 170 -17.910 8.751 25.304 1.00 75.54 H new ATOM 0 HE1 HIS A 170 -17.692 4.550 25.828 1.00 73.51 H new ATOM 0 HE2 HIS A 170 -19.180 6.482 25.114 1.00 43.00 H new ATOM 2634 N HIS A 171 -13.610 11.447 25.074 1.00 53.15 N ATOM 2635 CA HIS A 171 -12.752 12.583 25.498 1.00 73.34 C ATOM 2636 C HIS A 171 -13.646 13.826 25.779 1.00 32.40 C ATOM 2637 O HIS A 171 -13.242 14.980 25.595 1.00 63.23 O ATOM 2638 CB HIS A 171 -11.670 12.855 24.407 1.00 52.23 C ATOM 2639 CG HIS A 171 -10.565 13.794 24.837 1.00 11.32 C ATOM 2640 ND1 HIS A 171 -9.646 13.475 25.811 1.00 65.21 N ATOM 2641 CD2 HIS A 171 -10.250 15.050 24.436 1.00 13.15 C ATOM 2642 CE1 HIS A 171 -8.822 14.485 25.993 1.00 52.44 C ATOM 2643 NE2 HIS A 171 -9.164 15.453 25.172 1.00 24.10 N ATOM 0 H HIS A 171 -14.301 11.703 24.369 1.00 53.15 H new ATOM 0 HA HIS A 171 -12.225 12.344 26.422 1.00 73.34 H new ATOM 0 HB2 HIS A 171 -11.226 11.905 24.109 1.00 52.23 H new ATOM 0 HB3 HIS A 171 -12.158 13.269 23.525 1.00 52.23 H new ATOM 0 HD2 HIS A 171 -10.759 15.627 23.678 1.00 13.15 H new ATOM 0 HE1 HIS A 171 -8.004 14.514 26.697 1.00 52.44 H new ATOM 0 HE2 HIS A 171 -8.698 16.357 25.095 1.00 24.10 H new ATOM 2652 N HIS A 172 -14.856 13.553 26.293 1.00 53.21 N ATOM 2653 CA HIS A 172 -15.879 14.583 26.574 1.00 3.41 C ATOM 2654 C HIS A 172 -15.551 15.327 27.887 1.00 11.15 C ATOM 2655 O HIS A 172 -14.748 16.265 27.908 1.00 0.12 O ATOM 2656 CB HIS A 172 -17.280 13.907 26.648 1.00 4.45 C ATOM 2657 CG HIS A 172 -18.455 14.852 26.557 1.00 32.34 C ATOM 2658 ND1 HIS A 172 -19.218 14.986 25.415 1.00 62.51 N ATOM 2659 CD2 HIS A 172 -19.009 15.691 27.472 1.00 43.51 C ATOM 2660 CE1 HIS A 172 -20.180 15.859 25.627 1.00 51.21 C ATOM 2661 NE2 HIS A 172 -20.080 16.303 26.863 1.00 40.23 N ATOM 0 H HIS A 172 -15.157 12.607 26.528 1.00 53.21 H new ATOM 0 HA HIS A 172 -15.884 15.320 25.771 1.00 3.41 H new ATOM 0 HB2 HIS A 172 -17.357 13.178 25.841 1.00 4.45 H new ATOM 0 HB3 HIS A 172 -17.350 13.354 27.585 1.00 4.45 H new ATOM 0 HD2 HIS A 172 -18.672 15.848 28.486 1.00 43.51 H new ATOM 0 HE1 HIS A 172 -20.927 16.161 24.908 1.00 51.21 H new ATOM 0 HE2 HIS A 172 -20.697 16.989 27.298 1.00 40.23 H new TER 2670 HIS A 172