USER MOD reduce.3.24.130724 H: found=0, std=0, add=1211, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1212 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 53 TYR OH : rot 150:sc= 0.627 USER MOD Set 1.2: A 55 ASN : amide:sc= -6.55! C(o=-5.9!,f=-9.1!) USER MOD Set 2.1: A 48 GLN : amide:sc= -10.4! C(o=-19!,f=-26!) USER MOD Set 2.2: A 50 GLN :FLIP amide:sc= -8.97! C(o=-31!,f=-19!) USER MOD Single : A 1 THR N :NH3+ 131:sc= 0.0651 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 4 TYR OH : rot -145:sc= 0.758 USER MOD Single : A 9 SER OG : rot 178:sc= -0.48! USER MOD Single : A 10 ASN : amide:sc= -14.5! C(o=-15!,f=-15!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.89! C(o=-2.9!,f=-4.5!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.273 F(o=-1.8!,f=-0.27) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0276 (180deg=-0.211) USER MOD Single : A 31 SER OG : rot -104:sc= -5.07! USER MOD Single : A 32 HIS : no HE2:sc= -0.251 K(o=-0.25,f=-2.2) USER MOD Single : A 35 THR OG1 : rot 174:sc= -0.964! USER MOD Single : A 37 SER OG : rot -96:sc= 0.973 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 55:sc= 0.0159 USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 62 THR OG1 : rot 71:sc= 1.5 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.06 K(o=-2.1,f=-9.8!) USER MOD Single : A 72 HIS : no HE2:sc= -5.95! C(o=-5.9!,f=-8.7!) USER MOD Single : A 73 THR OG1 : rot -45:sc= 0.891 USER MOD Single : A 74 GLN : amide:sc= -4.83! C(o=-4.8!,f=-7.5!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.496 F(o=-4!,f=-0.5) USER MOD Single : A 80 GLN :FLIP amide:sc= -4.8! C(o=-5.3!,f=-4.8!) USER MOD Single : A 93 THR OG1 : rot -100:sc= -0.619 USER MOD Single : A 99 MET CE :methyl -169:sc= -3.73! (180deg=-4.68!) USER MOD Single : A 103 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.5!) USER MOD Single : A 107 ASN : amide:sc= -1.02 K(o=-1,f=-1.9) USER MOD Single : A 108 THR OG1 : rot 180:sc= -4.02! USER MOD Single : A 112 THR OG1 : rot 45:sc= 0.0911 USER MOD Single : A 115 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-2) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -166:sc= -4.73! (180deg=-5.44!) USER MOD Single : A 119 LYS NZ :NH3+ -141:sc= -3.43! (180deg=-6.32!) USER MOD Single : A 120 ASN : amide:sc= -0.741 K(o=-0.74,f=-3.3!) USER MOD Single : A 124 MET CE :methyl -140:sc= 0 (180deg=-1.02) USER MOD Single : A 142 MET CE :methyl -160:sc= -0.13 (180deg=-0.726) USER MOD Single : A 145 GLN :FLIP amide:sc= -5.5! C(o=-10!,f=-5.5!) USER MOD Single : A 148 HIS : no HD1:sc= -0.964 K(o=-0.96,f=-2.6!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 149:sc= -5.6! (180deg=-9.24!) USER MOD Single : A 156 ASN : amide:sc= -2.04 K(o=-2,f=-4.4!) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.509 -13.390 -10.294 1.00 0.73 N ATOM 2 CA THR A 1 0.971 -12.867 -9.010 1.00 0.53 C ATOM 3 C THR A 1 1.034 -11.341 -8.970 1.00 0.47 C ATOM 4 O THR A 1 1.844 -10.727 -9.664 1.00 0.70 O ATOM 5 CB THR A 1 1.789 -13.467 -7.861 1.00 0.54 C ATOM 6 OG1 THR A 1 1.750 -14.881 -7.905 1.00 0.58 O ATOM 7 CG2 THR A 1 1.305 -13.039 -6.493 1.00 0.81 C ATOM 0 H1 THR A 1 2.193 -14.149 -10.100 1.00 0.73 H new ATOM 0 H2 THR A 1 0.729 -13.766 -10.870 1.00 0.73 H new ATOM 0 H3 THR A 1 1.982 -12.621 -10.811 1.00 0.73 H new ATOM 0 HA THR A 1 -0.076 -13.153 -8.912 1.00 0.53 H new ATOM 0 HB THR A 1 2.803 -13.093 -8.003 1.00 0.54 H new ATOM 0 HG1 THR A 1 2.279 -15.246 -7.165 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.928 -13.500 -5.726 1.00 0.81 H new ATOM 0 HG22 THR A 1 1.368 -11.954 -6.408 1.00 0.81 H new ATOM 0 HG23 THR A 1 0.270 -13.354 -6.358 1.00 0.81 H new ATOM 17 N VAL A 2 0.175 -10.737 -8.155 1.00 0.44 N ATOM 18 CA VAL A 2 0.138 -9.286 -8.028 1.00 0.42 C ATOM 19 C VAL A 2 0.414 -8.848 -6.596 1.00 0.38 C ATOM 20 O VAL A 2 0.004 -9.509 -5.641 1.00 0.43 O ATOM 21 CB VAL A 2 -1.220 -8.705 -8.463 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.253 -7.202 -8.245 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.506 -9.031 -9.914 1.00 0.85 C ATOM 0 H VAL A 2 -0.503 -11.230 -7.574 1.00 0.44 H new ATOM 0 HA VAL A 2 0.918 -8.904 -8.687 1.00 0.42 H new ATOM 0 HB VAL A 2 -1.995 -9.163 -7.849 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.221 -6.810 -8.558 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.098 -6.984 -7.188 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.464 -6.732 -8.832 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.471 -8.610 -10.198 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -0.725 -8.605 -10.543 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.529 -10.113 -10.046 1.00 0.85 H new ATOM 33 N ALA A 3 1.103 -7.722 -6.457 1.00 0.38 N ATOM 34 CA ALA A 3 1.425 -7.179 -5.149 1.00 0.40 C ATOM 35 C ALA A 3 0.597 -5.930 -4.859 1.00 0.40 C ATOM 36 O ALA A 3 0.915 -4.837 -5.328 1.00 0.65 O ATOM 37 CB ALA A 3 2.912 -6.871 -5.057 1.00 0.43 C ATOM 0 H ALA A 3 1.450 -7.167 -7.240 1.00 0.38 H new ATOM 0 HA ALA A 3 1.178 -7.928 -4.396 1.00 0.40 H new ATOM 0 HB1 ALA A 3 3.139 -6.465 -4.071 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.483 -7.786 -5.213 1.00 0.43 H new ATOM 0 HB3 ALA A 3 3.180 -6.141 -5.821 1.00 0.43 H new ATOM 43 N TYR A 4 -0.461 -6.106 -4.076 1.00 0.25 N ATOM 44 CA TYR A 4 -1.344 -5.001 -3.706 1.00 0.24 C ATOM 45 C TYR A 4 -0.666 -4.156 -2.630 1.00 0.27 C ATOM 46 O TYR A 4 -0.803 -4.427 -1.438 1.00 0.35 O ATOM 47 CB TYR A 4 -2.676 -5.547 -3.185 1.00 0.25 C ATOM 48 CG TYR A 4 -3.472 -6.344 -4.204 1.00 0.27 C ATOM 49 CD1 TYR A 4 -2.829 -7.184 -5.101 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.860 -6.259 -4.277 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.537 -7.912 -6.032 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.575 -6.985 -5.207 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.956 -7.798 -6.055 1.00 0.45 C ATOM 54 OH TYR A 4 -5.617 -8.535 -7.014 1.00 0.55 O ATOM 0 H TYR A 4 -0.731 -7.007 -3.682 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.541 -4.383 -4.582 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.481 -6.180 -2.319 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.286 -4.712 -2.839 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -1.753 -7.269 -5.069 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.387 -5.612 -3.592 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.025 -8.557 -6.731 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.650 -6.891 -5.246 1.00 0.66 H new ATOM 0 HH TYR A 4 -6.398 -8.035 -7.330 1.00 0.55 H new ATOM 64 N ILE A 5 0.105 -3.156 -3.060 1.00 0.28 N ATOM 65 CA ILE A 5 0.846 -2.307 -2.131 1.00 0.34 C ATOM 66 C ILE A 5 0.166 -0.959 -1.906 1.00 0.34 C ATOM 67 O ILE A 5 -0.656 -0.521 -2.710 1.00 0.39 O ATOM 68 CB ILE A 5 2.273 -2.056 -2.656 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.846 -3.346 -3.250 1.00 0.44 C ATOM 70 CG2 ILE A 5 3.165 -1.538 -1.537 1.00 0.53 C ATOM 71 CD1 ILE A 5 4.188 -3.162 -3.925 1.00 0.95 C ATOM 0 H ILE A 5 0.231 -2.916 -4.043 1.00 0.28 H new ATOM 0 HA ILE A 5 0.877 -2.840 -1.180 1.00 0.34 H new ATOM 0 HB ILE A 5 2.234 -1.299 -3.439 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.947 -4.087 -2.457 1.00 0.44 H new ATOM 0 HG13 ILE A 5 2.137 -3.748 -3.974 1.00 0.44 H new ATOM 0 HG21 ILE A 5 4.170 -1.365 -1.923 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.759 -0.603 -1.151 1.00 0.53 H new ATOM 0 HG23 ILE A 5 3.206 -2.274 -0.734 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.530 -4.118 -4.321 1.00 0.95 H new ATOM 0 HD12 ILE A 5 4.090 -2.445 -4.741 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.912 -2.790 -3.200 1.00 0.95 H new ATOM 83 N ALA A 6 0.542 -0.304 -0.811 1.00 0.40 N ATOM 84 CA ALA A 6 0.000 1.007 -0.465 1.00 0.44 C ATOM 85 C ALA A 6 1.128 1.981 -0.160 1.00 0.42 C ATOM 86 O ALA A 6 1.927 1.751 0.746 1.00 0.58 O ATOM 87 CB ALA A 6 -0.937 0.901 0.726 1.00 0.53 C ATOM 0 H ALA A 6 1.225 -0.663 -0.144 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.566 1.381 -1.318 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.330 1.888 0.968 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -1.762 0.232 0.482 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.392 0.507 1.584 1.00 0.53 H new ATOM 93 N ILE A 7 1.194 3.067 -0.921 1.00 0.41 N ATOM 94 CA ILE A 7 2.235 4.070 -0.729 1.00 0.40 C ATOM 95 C ILE A 7 1.687 5.296 -0.015 1.00 0.44 C ATOM 96 O ILE A 7 0.504 5.614 -0.136 1.00 0.52 O ATOM 97 CB ILE A 7 2.843 4.497 -2.076 1.00 0.50 C ATOM 98 CG1 ILE A 7 3.294 3.256 -2.851 1.00 0.65 C ATOM 99 CG2 ILE A 7 4.009 5.449 -1.847 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.583 3.513 -4.314 1.00 0.99 C ATOM 0 H ILE A 7 0.540 3.276 -1.676 1.00 0.41 H new ATOM 0 HA ILE A 7 3.012 3.617 -0.113 1.00 0.40 H new ATOM 0 HB ILE A 7 2.090 5.021 -2.665 1.00 0.50 H new ATOM 0 HG12 ILE A 7 4.190 2.852 -2.380 1.00 0.65 H new ATOM 0 HG13 ILE A 7 2.521 2.491 -2.773 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.431 5.745 -2.807 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.657 6.334 -1.317 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.774 4.951 -1.252 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.896 2.585 -4.792 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.683 3.887 -4.802 1.00 0.99 H new ATOM 0 HD13 ILE A 7 4.378 4.253 -4.403 1.00 0.99 H new ATOM 112 N GLY A 8 2.545 5.985 0.735 1.00 0.50 N ATOM 113 CA GLY A 8 2.100 7.161 1.448 1.00 0.61 C ATOM 114 C GLY A 8 3.133 8.265 1.475 1.00 0.62 C ATOM 115 O GLY A 8 4.312 8.038 1.201 1.00 0.90 O ATOM 0 H GLY A 8 3.530 5.749 0.858 1.00 0.50 H new ATOM 0 HA2 GLY A 8 1.188 7.536 0.984 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.846 6.884 2.471 1.00 0.61 H new ATOM 119 N SER A 9 2.674 9.464 1.805 1.00 0.56 N ATOM 120 CA SER A 9 3.537 10.634 1.872 1.00 0.63 C ATOM 121 C SER A 9 2.810 11.773 2.566 1.00 0.66 C ATOM 122 O SER A 9 1.607 11.957 2.370 1.00 0.77 O ATOM 123 CB SER A 9 3.961 11.045 0.468 1.00 0.77 C ATOM 124 OG SER A 9 2.829 11.240 -0.361 1.00 1.58 O ATOM 0 H SER A 9 1.698 9.652 2.033 1.00 0.56 H new ATOM 0 HA SER A 9 4.430 10.391 2.447 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.547 11.963 0.514 1.00 0.77 H new ATOM 0 HB3 SER A 9 4.605 10.278 0.038 1.00 0.77 H new ATOM 0 HG SER A 9 3.121 11.534 -1.249 1.00 1.58 H new ATOM 130 N ASN A 10 3.524 12.517 3.406 1.00 0.69 N ATOM 131 CA ASN A 10 2.902 13.607 4.148 1.00 0.79 C ATOM 132 C ASN A 10 3.829 14.799 4.334 1.00 0.83 C ATOM 133 O ASN A 10 3.630 15.865 3.752 1.00 0.98 O ATOM 134 CB ASN A 10 2.504 13.132 5.545 1.00 0.99 C ATOM 135 CG ASN A 10 1.777 11.809 5.556 1.00 1.05 C ATOM 136 OD1 ASN A 10 2.263 10.807 5.032 1.00 2.01 O ATOM 137 ND2 ASN A 10 0.615 11.796 6.179 1.00 1.01 N ATOM 0 H ASN A 10 4.519 12.388 3.588 1.00 0.69 H new ATOM 0 HA ASN A 10 2.037 13.914 3.560 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.401 13.048 6.159 1.00 0.99 H new ATOM 0 HB3 ASN A 10 1.870 13.888 6.008 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.079 10.930 6.241 1.00 1.01 H new ATOM 0 HD22 ASN A 10 0.252 12.652 6.599 1.00 1.01 H new ATOM 144 N LEU A 11 4.794 14.612 5.222 1.00 0.83 N ATOM 145 CA LEU A 11 5.723 15.663 5.601 1.00 0.95 C ATOM 146 C LEU A 11 7.011 15.664 4.774 1.00 0.93 C ATOM 147 O LEU A 11 8.034 16.188 5.212 1.00 1.38 O ATOM 148 CB LEU A 11 6.022 15.520 7.099 1.00 1.12 C ATOM 149 CG LEU A 11 6.749 14.245 7.530 1.00 0.90 C ATOM 150 CD1 LEU A 11 8.256 14.402 7.400 1.00 1.77 C ATOM 151 CD2 LEU A 11 6.365 13.892 8.959 1.00 1.54 C ATOM 0 H LEU A 11 4.954 13.725 5.700 1.00 0.83 H new ATOM 0 HA LEU A 11 5.255 16.625 5.394 1.00 0.95 H new ATOM 0 HB2 LEU A 11 6.620 16.376 7.411 1.00 1.12 H new ATOM 0 HB3 LEU A 11 5.079 15.575 7.642 1.00 1.12 H new ATOM 0 HG LEU A 11 6.445 13.432 6.870 1.00 0.90 H new ATOM 0 HD11 LEU A 11 8.746 13.480 7.713 1.00 1.77 H new ATOM 0 HD12 LEU A 11 8.512 14.614 6.362 1.00 1.77 H new ATOM 0 HD13 LEU A 11 8.592 15.224 8.032 1.00 1.77 H new ATOM 0 HD21 LEU A 11 6.885 12.983 9.262 1.00 1.54 H new ATOM 0 HD22 LEU A 11 6.646 14.709 9.624 1.00 1.54 H new ATOM 0 HD23 LEU A 11 5.289 13.730 9.017 1.00 1.54 H new ATOM 163 N ALA A 12 6.955 15.101 3.572 1.00 0.84 N ATOM 164 CA ALA A 12 8.129 15.068 2.705 1.00 0.91 C ATOM 165 C ALA A 12 7.740 15.023 1.232 1.00 0.95 C ATOM 166 O ALA A 12 7.975 14.028 0.552 1.00 1.72 O ATOM 167 CB ALA A 12 9.005 13.876 3.055 1.00 0.97 C ATOM 0 H ALA A 12 6.121 14.666 3.179 1.00 0.84 H new ATOM 0 HA ALA A 12 8.691 15.987 2.870 1.00 0.91 H new ATOM 0 HB1 ALA A 12 9.878 13.862 2.402 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.330 13.955 4.093 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.437 12.955 2.922 1.00 0.97 H new ATOM 173 N SER A 13 7.147 16.110 0.741 1.00 0.81 N ATOM 174 CA SER A 13 6.727 16.187 -0.655 1.00 0.79 C ATOM 175 C SER A 13 5.813 15.014 -1.006 1.00 0.71 C ATOM 176 O SER A 13 6.258 14.012 -1.570 1.00 0.71 O ATOM 177 CB SER A 13 7.946 16.201 -1.581 1.00 0.89 C ATOM 178 OG SER A 13 8.797 17.294 -1.289 1.00 1.47 O ATOM 0 H SER A 13 6.947 16.947 1.289 1.00 0.81 H new ATOM 0 HA SER A 13 6.172 17.115 -0.794 1.00 0.79 H new ATOM 0 HB2 SER A 13 8.498 15.268 -1.474 1.00 0.89 H new ATOM 0 HB3 SER A 13 7.617 16.259 -2.619 1.00 0.89 H new ATOM 0 HG SER A 13 9.568 17.279 -1.893 1.00 1.47 H new ATOM 184 N PRO A 14 4.519 15.119 -0.656 1.00 0.69 N ATOM 185 CA PRO A 14 3.528 14.066 -0.914 1.00 0.66 C ATOM 186 C PRO A 14 3.561 13.537 -2.349 1.00 0.67 C ATOM 187 O PRO A 14 3.250 12.372 -2.597 1.00 0.66 O ATOM 188 CB PRO A 14 2.202 14.767 -0.643 1.00 0.68 C ATOM 189 CG PRO A 14 2.532 15.804 0.371 1.00 0.80 C ATOM 190 CD PRO A 14 3.919 16.278 0.037 1.00 0.78 C ATOM 0 HA PRO A 14 3.712 13.187 -0.296 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.796 15.214 -1.551 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.453 14.069 -0.269 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.818 16.627 0.335 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.492 15.392 1.379 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.899 17.162 -0.601 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.479 16.545 0.933 1.00 0.78 H new ATOM 198 N LEU A 15 3.916 14.401 -3.294 1.00 0.73 N ATOM 199 CA LEU A 15 3.959 14.017 -4.705 1.00 0.78 C ATOM 200 C LEU A 15 5.291 13.371 -5.092 1.00 0.73 C ATOM 201 O LEU A 15 5.331 12.483 -5.943 1.00 0.79 O ATOM 202 CB LEU A 15 3.701 15.239 -5.589 1.00 0.92 C ATOM 203 CG LEU A 15 3.716 14.968 -7.095 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.621 13.983 -7.476 1.00 1.00 C ATOM 205 CD2 LEU A 15 3.560 16.267 -7.870 1.00 1.15 C ATOM 0 H LEU A 15 4.178 15.370 -3.112 1.00 0.73 H new ATOM 0 HA LEU A 15 3.177 13.274 -4.861 1.00 0.78 H new ATOM 0 HB2 LEU A 15 2.733 15.663 -5.322 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.453 15.995 -5.365 1.00 0.92 H new ATOM 0 HG LEU A 15 4.677 14.524 -7.354 1.00 0.98 H new ATOM 0 HD11 LEU A 15 2.650 13.805 -8.551 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.778 13.042 -6.948 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.650 14.395 -7.203 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.573 16.056 -8.939 1.00 1.15 H new ATOM 0 HD22 LEU A 15 2.614 16.738 -7.604 1.00 1.15 H new ATOM 0 HD23 LEU A 15 4.382 16.939 -7.623 1.00 1.15 H new ATOM 217 N GLU A 16 6.380 13.830 -4.484 1.00 0.71 N ATOM 218 CA GLU A 16 7.706 13.307 -4.792 1.00 0.71 C ATOM 219 C GLU A 16 7.915 11.899 -4.239 1.00 0.63 C ATOM 220 O GLU A 16 8.669 11.110 -4.810 1.00 0.65 O ATOM 221 CB GLU A 16 8.765 14.252 -4.237 1.00 0.81 C ATOM 222 CG GLU A 16 8.874 15.554 -5.007 1.00 0.95 C ATOM 223 CD GLU A 16 9.482 15.372 -6.386 1.00 1.57 C ATOM 224 OE1 GLU A 16 8.884 14.642 -7.205 1.00 2.35 O ATOM 225 OE2 GLU A 16 10.551 15.959 -6.647 1.00 2.01 O ATOM 0 H GLU A 16 6.370 14.563 -3.775 1.00 0.71 H new ATOM 0 HA GLU A 16 7.796 13.241 -5.876 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.534 14.473 -3.195 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.732 13.749 -4.249 1.00 0.81 H new ATOM 0 HG2 GLU A 16 7.883 15.996 -5.107 1.00 0.95 H new ATOM 0 HG3 GLU A 16 9.481 16.258 -4.437 1.00 0.95 H new ATOM 232 N GLN A 17 7.257 11.590 -3.130 1.00 0.59 N ATOM 233 CA GLN A 17 7.392 10.273 -2.516 1.00 0.56 C ATOM 234 C GLN A 17 6.694 9.202 -3.344 1.00 0.55 C ATOM 235 O GLN A 17 7.002 8.017 -3.223 1.00 0.61 O ATOM 236 CB GLN A 17 6.814 10.278 -1.102 1.00 0.62 C ATOM 237 CG GLN A 17 7.451 11.300 -0.177 1.00 0.71 C ATOM 238 CD GLN A 17 8.943 11.086 0.001 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.718 11.213 -0.947 1.00 1.99 O ATOM 240 NE2 GLN A 17 9.350 10.760 1.220 1.00 1.63 N ATOM 0 H GLN A 17 6.629 12.226 -2.639 1.00 0.59 H new ATOM 0 HA GLN A 17 8.456 10.041 -2.472 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.743 10.473 -1.159 1.00 0.62 H new ATOM 0 HB3 GLN A 17 6.935 9.285 -0.668 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.277 12.300 -0.574 1.00 0.71 H new ATOM 0 HG3 GLN A 17 6.964 11.255 0.797 1.00 0.71 H new ATOM 0 HE21 GLN A 17 8.672 10.666 1.976 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.341 10.604 1.402 1.00 1.63 H new ATOM 249 N VAL A 18 5.745 9.622 -4.172 1.00 0.56 N ATOM 250 CA VAL A 18 4.993 8.687 -5.004 1.00 0.62 C ATOM 251 C VAL A 18 5.717 8.382 -6.309 1.00 0.60 C ATOM 252 O VAL A 18 5.599 7.277 -6.842 1.00 0.64 O ATOM 253 CB VAL A 18 3.585 9.227 -5.322 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.783 8.207 -6.116 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.859 9.606 -4.040 1.00 0.83 C ATOM 0 H VAL A 18 5.478 10.600 -4.286 1.00 0.56 H new ATOM 0 HA VAL A 18 4.904 7.765 -4.429 1.00 0.62 H new ATOM 0 HB VAL A 18 3.690 10.123 -5.934 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.793 8.609 -6.329 1.00 0.82 H new ATOM 0 HG12 VAL A 18 3.296 7.990 -7.053 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.685 7.290 -5.535 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.866 9.985 -4.283 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.766 8.728 -3.401 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.424 10.377 -3.516 1.00 0.83 H new ATOM 265 N ASN A 19 6.461 9.354 -6.830 1.00 0.60 N ATOM 266 CA ASN A 19 7.184 9.157 -8.082 1.00 0.64 C ATOM 267 C ASN A 19 8.164 7.989 -7.984 1.00 0.56 C ATOM 268 O ASN A 19 8.088 7.044 -8.764 1.00 0.63 O ATOM 269 CB ASN A 19 7.928 10.431 -8.487 1.00 0.72 C ATOM 270 CG ASN A 19 6.983 11.571 -8.809 1.00 0.82 C ATOM 271 OD1 ASN A 19 7.214 12.723 -8.189 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 6.067 11.425 -9.618 1.00 0.84 N flip ATOM 0 H ASN A 19 6.578 10.276 -6.410 1.00 0.60 H new ATOM 0 HA ASN A 19 6.447 8.920 -8.849 1.00 0.64 H new ATOM 0 HB2 ASN A 19 8.595 10.732 -7.679 1.00 0.72 H new ATOM 0 HB3 ASN A 19 8.553 10.224 -9.356 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.926 10.522 -10.071 1.00 0.84 H new ATOM 0 HD22 ASN A 19 5.449 12.207 -9.835 1.00 0.84 H new ATOM 279 N ALA A 20 9.084 8.058 -7.026 1.00 0.47 N ATOM 280 CA ALA A 20 10.076 7.001 -6.849 1.00 0.42 C ATOM 281 C ALA A 20 9.459 5.740 -6.246 1.00 0.35 C ATOM 282 O ALA A 20 10.023 4.653 -6.356 1.00 0.36 O ATOM 283 CB ALA A 20 11.223 7.495 -5.977 1.00 0.43 C ATOM 0 H ALA A 20 9.164 8.830 -6.364 1.00 0.47 H new ATOM 0 HA ALA A 20 10.461 6.741 -7.835 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.955 6.697 -5.853 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.698 8.353 -6.452 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.837 7.789 -5.001 1.00 0.43 H new ATOM 289 N ALA A 21 8.306 5.893 -5.608 1.00 0.36 N ATOM 290 CA ALA A 21 7.619 4.765 -4.986 1.00 0.39 C ATOM 291 C ALA A 21 7.100 3.777 -6.029 1.00 0.41 C ATOM 292 O ALA A 21 7.333 2.575 -5.921 1.00 0.44 O ATOM 293 CB ALA A 21 6.480 5.269 -4.118 1.00 0.46 C ATOM 0 H ALA A 21 7.825 6.787 -5.507 1.00 0.36 H new ATOM 0 HA ALA A 21 8.338 4.234 -4.363 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.972 4.422 -3.657 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.877 5.922 -3.340 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.773 5.826 -4.733 1.00 0.46 H new ATOM 299 N LEU A 22 6.388 4.283 -7.030 1.00 0.47 N ATOM 300 CA LEU A 22 5.832 3.429 -8.076 1.00 0.53 C ATOM 301 C LEU A 22 6.846 3.153 -9.190 1.00 0.50 C ATOM 302 O LEU A 22 6.779 2.119 -9.854 1.00 0.64 O ATOM 303 CB LEU A 22 4.550 4.047 -8.649 1.00 0.70 C ATOM 304 CG LEU A 22 4.676 5.479 -9.182 1.00 0.81 C ATOM 305 CD1 LEU A 22 5.359 5.499 -10.540 1.00 1.28 C ATOM 306 CD2 LEU A 22 3.306 6.136 -9.264 1.00 1.35 C ATOM 0 H LEU A 22 6.182 5.276 -7.140 1.00 0.47 H new ATOM 0 HA LEU A 22 5.586 2.470 -7.619 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.193 3.409 -9.458 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.786 4.035 -7.872 1.00 0.70 H new ATOM 0 HG LEU A 22 5.295 6.046 -8.487 1.00 0.81 H new ATOM 0 HD11 LEU A 22 5.435 6.527 -10.894 1.00 1.28 H new ATOM 0 HD12 LEU A 22 6.358 5.071 -10.451 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.775 4.913 -11.250 1.00 1.28 H new ATOM 0 HD21 LEU A 22 3.412 7.152 -9.644 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.667 5.562 -9.935 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.856 6.165 -8.271 1.00 1.35 H new ATOM 318 N LYS A 23 7.777 4.077 -9.401 1.00 0.45 N ATOM 319 CA LYS A 23 8.786 3.908 -10.450 1.00 0.49 C ATOM 320 C LYS A 23 9.831 2.863 -10.068 1.00 0.43 C ATOM 321 O LYS A 23 10.293 2.103 -10.917 1.00 0.51 O ATOM 322 CB LYS A 23 9.472 5.240 -10.766 1.00 0.56 C ATOM 323 CG LYS A 23 8.585 6.219 -11.521 1.00 0.93 C ATOM 324 CD LYS A 23 8.156 5.659 -12.867 1.00 1.62 C ATOM 325 CE LYS A 23 7.281 6.643 -13.629 1.00 2.52 C ATOM 326 NZ LYS A 23 8.002 7.911 -13.927 1.00 3.23 N ATOM 0 H LYS A 23 7.857 4.943 -8.868 1.00 0.45 H new ATOM 0 HA LYS A 23 8.266 3.556 -11.341 1.00 0.49 H new ATOM 0 HB2 LYS A 23 9.797 5.702 -9.834 1.00 0.56 H new ATOM 0 HB3 LYS A 23 10.368 5.046 -11.355 1.00 0.56 H new ATOM 0 HG2 LYS A 23 7.703 6.448 -10.923 1.00 0.93 H new ATOM 0 HG3 LYS A 23 9.121 7.156 -11.670 1.00 0.93 H new ATOM 0 HD2 LYS A 23 9.039 5.420 -13.461 1.00 1.62 H new ATOM 0 HD3 LYS A 23 7.611 4.727 -12.717 1.00 1.62 H new ATOM 0 HE2 LYS A 23 6.948 6.187 -14.561 1.00 2.52 H new ATOM 0 HE3 LYS A 23 6.387 6.862 -13.045 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 7.463 8.461 -14.626 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 8.103 8.466 -13.053 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 8.944 7.693 -14.310 1.00 3.23 H new ATOM 340 N ALA A 24 10.208 2.835 -8.795 1.00 0.37 N ATOM 341 CA ALA A 24 11.207 1.884 -8.320 1.00 0.41 C ATOM 342 C ALA A 24 10.709 0.445 -8.426 1.00 0.41 C ATOM 343 O ALA A 24 11.508 -0.489 -8.501 1.00 0.43 O ATOM 344 CB ALA A 24 11.601 2.201 -6.885 1.00 0.46 C ATOM 0 H ALA A 24 9.839 3.457 -8.076 1.00 0.37 H new ATOM 0 HA ALA A 24 12.084 1.980 -8.959 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.347 1.482 -6.545 1.00 0.46 H new ATOM 0 HB2 ALA A 24 12.017 3.207 -6.836 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.721 2.141 -6.244 1.00 0.46 H new ATOM 350 N LEU A 25 9.388 0.271 -8.437 1.00 0.43 N ATOM 351 CA LEU A 25 8.797 -1.061 -8.536 1.00 0.48 C ATOM 352 C LEU A 25 9.060 -1.665 -9.911 1.00 0.49 C ATOM 353 O LEU A 25 9.296 -2.866 -10.038 1.00 0.57 O ATOM 354 CB LEU A 25 7.288 -0.995 -8.272 1.00 0.53 C ATOM 355 CG LEU A 25 6.883 -0.420 -6.910 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.370 -0.343 -6.791 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.459 -1.257 -5.780 1.00 1.00 C ATOM 0 H LEU A 25 8.711 1.032 -8.379 1.00 0.43 H new ATOM 0 HA LEU A 25 9.261 -1.697 -7.782 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.826 -0.392 -9.054 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.877 -2.001 -8.360 1.00 0.53 H new ATOM 0 HG LEU A 25 7.289 0.589 -6.833 1.00 0.70 H new ATOM 0 HD11 LEU A 25 5.102 0.068 -5.817 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.975 0.301 -7.577 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.946 -1.342 -6.893 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.159 -0.831 -4.822 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.085 -2.278 -5.856 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.547 -1.263 -5.850 1.00 1.00 H new ATOM 369 N GLY A 26 9.029 -0.817 -10.937 1.00 0.47 N ATOM 370 CA GLY A 26 9.275 -1.285 -12.287 1.00 0.53 C ATOM 371 C GLY A 26 10.700 -1.759 -12.472 1.00 0.50 C ATOM 372 O GLY A 26 11.022 -2.421 -13.459 1.00 0.64 O ATOM 0 H GLY A 26 8.838 0.182 -10.856 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.589 -2.100 -12.519 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.066 -0.481 -12.993 1.00 0.53 H new ATOM 376 N ASP A 27 11.557 -1.419 -11.513 1.00 0.43 N ATOM 377 CA ASP A 27 12.958 -1.814 -11.559 1.00 0.46 C ATOM 378 C ASP A 27 13.219 -2.972 -10.599 1.00 0.41 C ATOM 379 O ASP A 27 14.145 -3.759 -10.801 1.00 0.56 O ATOM 380 CB ASP A 27 13.853 -0.620 -11.210 1.00 0.59 C ATOM 381 CG ASP A 27 15.333 -0.942 -11.322 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.809 -1.806 -10.557 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.014 -0.329 -12.170 1.00 1.48 O ATOM 0 H ASP A 27 11.303 -0.869 -10.693 1.00 0.43 H new ATOM 0 HA ASP A 27 13.194 -2.146 -12.570 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.616 0.212 -11.873 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.633 -0.291 -10.194 1.00 0.59 H new ATOM 388 N ILE A 28 12.391 -3.073 -9.559 1.00 0.37 N ATOM 389 CA ILE A 28 12.527 -4.139 -8.571 1.00 0.36 C ATOM 390 C ILE A 28 12.628 -5.507 -9.253 1.00 0.42 C ATOM 391 O ILE A 28 11.928 -5.779 -10.228 1.00 0.47 O ATOM 392 CB ILE A 28 11.348 -4.136 -7.567 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.465 -2.934 -6.620 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.297 -5.439 -6.774 1.00 0.47 C ATOM 395 CD1 ILE A 28 10.344 -2.847 -5.607 1.00 1.27 C ATOM 0 H ILE A 28 11.620 -2.429 -9.381 1.00 0.37 H new ATOM 0 HA ILE A 28 13.447 -3.951 -8.018 1.00 0.36 H new ATOM 0 HB ILE A 28 10.419 -4.052 -8.131 1.00 0.41 H new ATOM 0 HG12 ILE A 28 12.417 -2.990 -6.092 1.00 0.45 H new ATOM 0 HG13 ILE A 28 11.482 -2.018 -7.210 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.459 -5.408 -6.077 1.00 0.47 H new ATOM 0 HG22 ILE A 28 11.169 -6.277 -7.459 1.00 0.47 H new ATOM 0 HG23 ILE A 28 12.227 -5.564 -6.219 1.00 0.47 H new ATOM 0 HD11 ILE A 28 10.494 -1.973 -4.973 1.00 1.27 H new ATOM 0 HD12 ILE A 28 9.390 -2.759 -6.127 1.00 1.27 H new ATOM 0 HD13 ILE A 28 10.340 -3.746 -4.991 1.00 1.27 H new ATOM 407 N PRO A 29 13.516 -6.379 -8.744 1.00 0.49 N ATOM 408 CA PRO A 29 13.728 -7.723 -9.296 1.00 0.65 C ATOM 409 C PRO A 29 12.441 -8.542 -9.365 1.00 0.73 C ATOM 410 O PRO A 29 11.597 -8.461 -8.475 1.00 0.77 O ATOM 411 CB PRO A 29 14.721 -8.367 -8.316 1.00 0.75 C ATOM 412 CG PRO A 29 14.682 -7.508 -7.097 1.00 0.74 C ATOM 413 CD PRO A 29 14.386 -6.124 -7.590 1.00 0.51 C ATOM 0 HA PRO A 29 14.090 -7.680 -10.323 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.435 -9.393 -8.084 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.725 -8.404 -8.740 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.915 -7.849 -6.401 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.632 -7.540 -6.564 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.888 -5.521 -6.831 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.293 -5.592 -7.875 1.00 0.51 H new ATOM 421 N GLU A 30 12.308 -9.327 -10.437 1.00 0.83 N ATOM 422 CA GLU A 30 11.128 -10.165 -10.646 1.00 0.95 C ATOM 423 C GLU A 30 9.849 -9.401 -10.343 1.00 0.84 C ATOM 424 O GLU A 30 8.894 -9.958 -9.806 1.00 1.18 O ATOM 425 CB GLU A 30 11.197 -11.431 -9.792 1.00 1.17 C ATOM 426 CG GLU A 30 12.276 -12.395 -10.241 1.00 1.47 C ATOM 427 CD GLU A 30 13.651 -12.039 -9.711 1.00 2.16 C ATOM 428 OE1 GLU A 30 13.752 -11.090 -8.908 1.00 2.65 O ATOM 429 OE2 GLU A 30 14.628 -12.721 -10.091 1.00 2.84 O ATOM 0 H GLU A 30 13.007 -9.399 -11.176 1.00 0.83 H new ATOM 0 HA GLU A 30 11.115 -10.454 -11.697 1.00 0.95 H new ATOM 0 HB2 GLU A 30 11.377 -11.152 -8.754 1.00 1.17 H new ATOM 0 HB3 GLU A 30 10.232 -11.936 -9.823 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.016 -13.401 -9.912 1.00 1.47 H new ATOM 0 HG3 GLU A 30 12.307 -12.414 -11.330 1.00 1.47 H new ATOM 436 N SER A 31 9.846 -8.126 -10.693 1.00 0.60 N ATOM 437 CA SER A 31 8.691 -7.268 -10.460 1.00 0.54 C ATOM 438 C SER A 31 8.426 -6.353 -11.647 1.00 0.47 C ATOM 439 O SER A 31 9.335 -6.038 -12.417 1.00 0.59 O ATOM 440 CB SER A 31 8.904 -6.429 -9.202 1.00 0.57 C ATOM 441 OG SER A 31 7.885 -5.461 -9.056 1.00 1.37 O ATOM 0 H SER A 31 10.633 -7.658 -11.142 1.00 0.60 H new ATOM 0 HA SER A 31 7.822 -7.912 -10.327 1.00 0.54 H new ATOM 0 HB2 SER A 31 8.921 -7.078 -8.327 1.00 0.57 H new ATOM 0 HB3 SER A 31 9.874 -5.935 -9.251 1.00 0.57 H new ATOM 0 HG SER A 31 8.232 -4.580 -9.309 1.00 1.37 H new ATOM 447 N HIS A 32 7.173 -5.930 -11.792 1.00 0.38 N ATOM 448 CA HIS A 32 6.790 -5.051 -12.894 1.00 0.42 C ATOM 449 C HIS A 32 5.389 -4.494 -12.688 1.00 0.39 C ATOM 450 O HIS A 32 4.440 -5.250 -12.562 1.00 0.39 O ATOM 451 CB HIS A 32 6.841 -5.825 -14.206 1.00 0.52 C ATOM 452 CG HIS A 32 6.776 -4.954 -15.423 1.00 1.10 C ATOM 453 ND1 HIS A 32 5.701 -4.139 -15.708 1.00 1.90 N ATOM 454 CD2 HIS A 32 7.660 -4.774 -16.432 1.00 1.90 C ATOM 455 CE1 HIS A 32 5.928 -3.494 -16.840 1.00 2.46 C ATOM 456 NE2 HIS A 32 7.110 -3.863 -17.298 1.00 2.42 N ATOM 0 H HIS A 32 6.409 -6.180 -11.164 1.00 0.38 H new ATOM 0 HA HIS A 32 7.491 -4.217 -12.927 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.761 -6.409 -14.237 1.00 0.52 H new ATOM 0 HB3 HIS A 32 6.013 -6.533 -14.232 1.00 0.52 H new ATOM 0 HD1 HIS A 32 4.862 -4.048 -15.135 1.00 1.90 H new ATOM 0 HD2 HIS A 32 8.620 -5.258 -16.536 1.00 1.90 H new ATOM 0 HE1 HIS A 32 5.261 -2.786 -17.309 1.00 2.46 H new ATOM 465 N ILE A 33 5.257 -3.172 -12.666 1.00 0.42 N ATOM 466 CA ILE A 33 3.948 -2.554 -12.480 1.00 0.42 C ATOM 467 C ILE A 33 3.092 -2.657 -13.738 1.00 0.41 C ATOM 468 O ILE A 33 3.554 -2.388 -14.847 1.00 0.48 O ATOM 469 CB ILE A 33 4.064 -1.078 -12.047 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.402 -1.006 -10.558 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.775 -0.318 -12.348 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.438 0.402 -10.008 1.00 0.70 C ATOM 0 H ILE A 33 6.029 -2.514 -12.773 1.00 0.42 H new ATOM 0 HA ILE A 33 3.458 -3.109 -11.680 1.00 0.42 H new ATOM 0 HB ILE A 33 4.865 -0.606 -12.616 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.667 -1.586 -10.000 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.371 -1.476 -10.392 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.883 0.720 -12.033 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.573 -0.354 -13.419 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.947 -0.777 -11.807 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.684 0.372 -8.947 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.193 0.981 -10.539 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.462 0.870 -10.141 1.00 0.70 H new ATOM 484 N LEU A 34 1.837 -3.044 -13.540 1.00 0.39 N ATOM 485 CA LEU A 34 0.886 -3.186 -14.635 1.00 0.40 C ATOM 486 C LEU A 34 -0.161 -2.079 -14.580 1.00 0.37 C ATOM 487 O LEU A 34 -0.310 -1.304 -15.526 1.00 0.50 O ATOM 488 CB LEU A 34 0.207 -4.556 -14.562 1.00 0.43 C ATOM 489 CG LEU A 34 -0.833 -4.825 -15.652 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.187 -4.798 -17.030 1.00 1.42 C ATOM 491 CD2 LEU A 34 -1.523 -6.160 -15.411 1.00 1.39 C ATOM 0 H LEU A 34 1.452 -3.267 -12.622 1.00 0.39 H new ATOM 0 HA LEU A 34 1.426 -3.105 -15.579 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.975 -5.328 -14.616 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.275 -4.654 -13.589 1.00 0.43 H new ATOM 0 HG LEU A 34 -1.584 -4.036 -15.612 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -0.944 -4.992 -17.790 1.00 1.42 H new ATOM 0 HD12 LEU A 34 0.260 -3.819 -17.203 1.00 1.42 H new ATOM 0 HD13 LEU A 34 0.586 -5.564 -17.084 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.259 -6.336 -16.195 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -0.782 -6.960 -15.423 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -2.022 -6.142 -14.442 1.00 1.39 H new ATOM 503 N THR A 35 -0.880 -2.006 -13.463 1.00 0.30 N ATOM 504 CA THR A 35 -1.911 -0.989 -13.280 1.00 0.33 C ATOM 505 C THR A 35 -1.531 -0.035 -12.153 1.00 0.34 C ATOM 506 O THR A 35 -0.925 -0.440 -11.159 1.00 0.44 O ATOM 507 CB THR A 35 -3.259 -1.644 -12.980 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.182 -2.433 -11.806 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.755 -2.533 -14.099 1.00 0.93 C ATOM 0 H THR A 35 -0.768 -2.639 -12.671 1.00 0.30 H new ATOM 0 HA THR A 35 -1.995 -0.419 -14.205 1.00 0.33 H new ATOM 0 HB THR A 35 -3.960 -0.819 -12.856 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.076 -2.758 -11.571 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.716 -2.966 -13.821 1.00 0.93 H new ATOM 0 HG22 THR A 35 -3.872 -1.943 -15.008 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.035 -3.332 -14.276 1.00 0.93 H new ATOM 517 N VAL A 36 -1.883 1.235 -12.316 1.00 0.33 N ATOM 518 CA VAL A 36 -1.575 2.249 -11.316 1.00 0.39 C ATOM 519 C VAL A 36 -2.768 3.164 -11.063 1.00 0.36 C ATOM 520 O VAL A 36 -3.450 3.589 -11.998 1.00 0.38 O ATOM 521 CB VAL A 36 -0.362 3.098 -11.750 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.587 3.671 -13.139 1.00 1.05 C ATOM 523 CG2 VAL A 36 -0.090 4.210 -10.747 1.00 1.21 C ATOM 0 H VAL A 36 -2.383 1.587 -13.133 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.335 1.725 -10.391 1.00 0.39 H new ATOM 0 HB VAL A 36 0.515 2.451 -11.780 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.277 4.267 -13.431 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -0.723 2.857 -13.851 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -1.477 4.300 -13.133 1.00 1.05 H new ATOM 0 HG21 VAL A 36 0.770 4.794 -11.076 1.00 1.21 H new ATOM 0 HG22 VAL A 36 -0.964 4.858 -10.677 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.119 3.775 -9.770 1.00 1.21 H new ATOM 533 N SER A 37 -3.013 3.468 -9.792 1.00 0.35 N ATOM 534 CA SER A 37 -4.119 4.338 -9.410 1.00 0.35 C ATOM 535 C SER A 37 -3.720 5.804 -9.557 1.00 0.40 C ATOM 536 O SER A 37 -2.660 6.115 -10.098 1.00 0.72 O ATOM 537 CB SER A 37 -4.544 4.051 -7.968 1.00 0.36 C ATOM 538 OG SER A 37 -3.503 4.364 -7.058 1.00 1.35 O ATOM 0 H SER A 37 -2.459 3.124 -9.008 1.00 0.35 H new ATOM 0 HA SER A 37 -4.961 4.138 -10.073 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.432 4.634 -7.724 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.815 3.000 -7.868 1.00 0.36 H new ATOM 0 HG SER A 37 -2.997 3.552 -6.848 1.00 1.35 H new ATOM 544 N SER A 38 -4.573 6.699 -9.067 1.00 0.43 N ATOM 545 CA SER A 38 -4.302 8.130 -9.141 1.00 0.45 C ATOM 546 C SER A 38 -3.918 8.672 -7.769 1.00 0.47 C ATOM 547 O SER A 38 -3.688 7.905 -6.835 1.00 0.70 O ATOM 548 CB SER A 38 -5.526 8.872 -9.676 1.00 0.50 C ATOM 549 OG SER A 38 -5.900 8.390 -10.955 1.00 1.19 O ATOM 0 H SER A 38 -5.456 6.459 -8.616 1.00 0.43 H new ATOM 0 HA SER A 38 -3.467 8.289 -9.823 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.358 8.753 -8.982 1.00 0.50 H new ATOM 0 HB3 SER A 38 -5.310 9.939 -9.735 1.00 0.50 H new ATOM 0 HG SER A 38 -6.687 8.881 -11.272 1.00 1.19 H new ATOM 555 N PHE A 39 -3.859 9.995 -7.649 1.00 0.38 N ATOM 556 CA PHE A 39 -3.512 10.629 -6.388 1.00 0.43 C ATOM 557 C PHE A 39 -4.765 10.910 -5.566 1.00 0.40 C ATOM 558 O PHE A 39 -5.750 11.445 -6.075 1.00 0.65 O ATOM 559 CB PHE A 39 -2.715 11.917 -6.635 1.00 0.59 C ATOM 560 CG PHE A 39 -3.225 12.758 -7.776 1.00 1.42 C ATOM 561 CD1 PHE A 39 -4.475 13.354 -7.725 1.00 1.93 C ATOM 562 CD2 PHE A 39 -2.441 12.959 -8.901 1.00 2.21 C ATOM 563 CE1 PHE A 39 -4.935 14.128 -8.772 1.00 2.75 C ATOM 564 CE2 PHE A 39 -2.895 13.735 -9.952 1.00 3.01 C ATOM 565 CZ PHE A 39 -4.145 14.319 -9.888 1.00 3.17 C ATOM 0 H PHE A 39 -4.047 10.646 -8.411 1.00 0.38 H new ATOM 0 HA PHE A 39 -2.882 9.946 -5.819 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -2.727 12.517 -5.725 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -1.675 11.654 -6.830 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.098 13.211 -6.854 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -1.463 12.504 -8.958 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -5.913 14.584 -8.718 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -2.273 13.884 -10.822 1.00 3.01 H new ATOM 0 HZ PHE A 39 -4.503 14.923 -10.708 1.00 3.17 H new ATOM 575 N TYR A 40 -4.730 10.534 -4.294 1.00 0.38 N ATOM 576 CA TYR A 40 -5.870 10.740 -3.414 1.00 0.37 C ATOM 577 C TYR A 40 -5.429 11.322 -2.076 1.00 0.40 C ATOM 578 O TYR A 40 -4.396 10.939 -1.529 1.00 0.53 O ATOM 579 CB TYR A 40 -6.616 9.422 -3.180 1.00 0.44 C ATOM 580 CG TYR A 40 -7.147 8.780 -4.444 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.302 8.071 -5.290 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.487 8.891 -4.798 1.00 0.59 C ATOM 583 CE1 TYR A 40 -6.776 7.490 -6.450 1.00 0.57 C ATOM 584 CE2 TYR A 40 -8.968 8.310 -5.955 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.129 7.586 -6.757 1.00 0.66 C ATOM 586 OH TYR A 40 -8.587 7.031 -7.931 1.00 0.76 O ATOM 0 H TYR A 40 -3.927 10.087 -3.851 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.540 11.449 -3.901 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -5.946 8.721 -2.683 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.448 9.604 -2.500 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.257 7.973 -5.036 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.162 9.440 -4.158 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.102 6.966 -7.112 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.007 8.427 -6.227 1.00 0.67 H new ATOM 0 HH TYR A 40 -8.338 6.084 -7.964 1.00 0.76 H new ATOM 596 N ARG A 41 -6.229 12.243 -1.550 1.00 0.43 N ATOM 597 CA ARG A 41 -5.933 12.872 -0.271 1.00 0.50 C ATOM 598 C ARG A 41 -6.812 12.260 0.815 1.00 0.54 C ATOM 599 O ARG A 41 -7.981 11.956 0.571 1.00 0.67 O ATOM 600 CB ARG A 41 -6.180 14.379 -0.341 1.00 0.66 C ATOM 601 CG ARG A 41 -5.400 15.175 0.694 1.00 0.69 C ATOM 602 CD ARG A 41 -5.946 16.585 0.829 1.00 0.94 C ATOM 603 NE ARG A 41 -5.223 17.359 1.836 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.512 18.618 2.148 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.504 19.246 1.531 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.813 19.250 3.080 1.00 2.95 N ATOM 0 H ARG A 41 -7.088 12.570 -1.991 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.883 12.702 -0.034 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.915 14.736 -1.336 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.245 14.570 -0.207 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.450 14.669 1.658 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.349 15.215 0.409 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -5.881 17.092 -0.134 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -7.002 16.541 1.095 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.452 16.907 2.328 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -7.047 18.763 0.815 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -6.724 20.212 1.772 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -4.051 18.770 3.559 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -5.037 20.216 3.318 1.00 2.95 H new ATOM 620 N THR A 42 -6.259 12.072 2.007 1.00 0.61 N ATOM 621 CA THR A 42 -7.022 11.485 3.108 1.00 0.73 C ATOM 622 C THR A 42 -6.300 11.661 4.443 1.00 0.84 C ATOM 623 O THR A 42 -5.070 11.720 4.481 1.00 1.10 O ATOM 624 CB THR A 42 -7.256 9.996 2.838 1.00 0.81 C ATOM 625 OG1 THR A 42 -8.100 9.425 3.822 1.00 1.30 O ATOM 626 CG2 THR A 42 -5.977 9.190 2.817 1.00 1.28 C ATOM 0 H THR A 42 -5.295 12.314 2.238 1.00 0.61 H new ATOM 0 HA THR A 42 -7.979 12.003 3.171 1.00 0.73 H new ATOM 0 HB THR A 42 -7.719 9.954 1.852 1.00 0.81 H new ATOM 0 HG1 THR A 42 -8.235 8.474 3.626 1.00 1.30 H new ATOM 0 HG21 THR A 42 -6.210 8.143 2.621 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.321 9.569 2.033 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.477 9.276 3.782 1.00 1.28 H new ATOM 634 N PRO A 43 -7.049 11.730 5.562 1.00 0.74 N ATOM 635 CA PRO A 43 -6.461 11.879 6.895 1.00 0.86 C ATOM 636 C PRO A 43 -5.366 10.843 7.139 1.00 0.90 C ATOM 637 O PRO A 43 -5.640 9.645 7.218 1.00 0.94 O ATOM 638 CB PRO A 43 -7.642 11.653 7.854 1.00 0.98 C ATOM 639 CG PRO A 43 -8.752 11.121 7.007 1.00 0.87 C ATOM 640 CD PRO A 43 -8.516 11.656 5.625 1.00 0.71 C ATOM 0 HA PRO A 43 -5.987 12.851 7.028 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -7.378 10.948 8.642 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -7.933 12.583 8.343 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.754 10.031 7.008 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -9.721 11.442 7.389 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.923 10.996 4.859 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.979 12.633 5.483 1.00 0.71 H new ATOM 648 N PRO A 44 -4.104 11.291 7.242 1.00 0.98 N ATOM 649 CA PRO A 44 -2.958 10.399 7.454 1.00 1.12 C ATOM 650 C PRO A 44 -3.135 9.446 8.632 1.00 1.19 C ATOM 651 O PRO A 44 -2.793 8.267 8.538 1.00 2.06 O ATOM 652 CB PRO A 44 -1.804 11.359 7.722 1.00 1.28 C ATOM 653 CG PRO A 44 -2.197 12.626 7.045 1.00 1.18 C ATOM 654 CD PRO A 44 -3.690 12.706 7.141 1.00 1.03 C ATOM 0 HA PRO A 44 -2.808 9.744 6.595 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -1.656 11.511 8.791 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.867 10.972 7.323 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -1.730 13.485 7.526 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.873 12.628 6.004 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -4.006 13.280 8.012 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -4.123 13.190 6.266 1.00 1.03 H new ATOM 662 N LEU A 45 -3.653 9.964 9.740 1.00 0.99 N ATOM 663 CA LEU A 45 -3.857 9.156 10.939 1.00 1.03 C ATOM 664 C LEU A 45 -2.521 8.718 11.515 1.00 1.08 C ATOM 665 O LEU A 45 -1.489 8.824 10.858 1.00 1.32 O ATOM 666 CB LEU A 45 -4.742 7.939 10.637 1.00 1.15 C ATOM 667 CG LEU A 45 -6.168 8.268 10.181 1.00 1.53 C ATOM 668 CD1 LEU A 45 -6.918 6.995 9.822 1.00 1.83 C ATOM 669 CD2 LEU A 45 -6.911 9.035 11.265 1.00 2.21 C ATOM 0 H LEU A 45 -3.939 10.938 9.834 1.00 0.99 H new ATOM 0 HA LEU A 45 -4.370 9.769 11.680 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.259 7.341 9.864 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -4.797 7.319 11.532 1.00 1.15 H new ATOM 0 HG LEU A 45 -6.109 8.897 9.293 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -7.929 7.247 9.500 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -6.397 6.482 9.014 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -6.967 6.343 10.694 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -7.921 9.260 10.924 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -6.960 8.430 12.170 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -6.385 9.965 11.478 1.00 2.21 H new ATOM 681 N GLY A 46 -2.541 8.247 12.755 1.00 1.09 N ATOM 682 CA GLY A 46 -1.316 7.828 13.404 1.00 1.18 C ATOM 683 C GLY A 46 -0.473 9.021 13.815 1.00 1.11 C ATOM 684 O GLY A 46 -0.964 10.144 13.818 1.00 1.19 O ATOM 0 H GLY A 46 -3.383 8.148 13.322 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -1.554 7.229 14.283 1.00 1.18 H new ATOM 0 HA3 GLY A 46 -0.744 7.191 12.729 1.00 1.18 H new ATOM 688 N PRO A 47 0.787 8.812 14.218 1.00 1.12 N ATOM 689 CA PRO A 47 1.666 9.874 14.671 1.00 1.16 C ATOM 690 C PRO A 47 2.793 10.221 13.689 1.00 1.14 C ATOM 691 O PRO A 47 3.812 9.532 13.647 1.00 1.99 O ATOM 692 CB PRO A 47 2.258 9.219 15.906 1.00 1.36 C ATOM 693 CG PRO A 47 2.361 7.755 15.554 1.00 1.39 C ATOM 694 CD PRO A 47 1.463 7.522 14.351 1.00 1.26 C ATOM 0 HA PRO A 47 1.143 10.820 14.811 1.00 1.16 H new ATOM 0 HB2 PRO A 47 3.235 9.638 16.146 1.00 1.36 H new ATOM 0 HB3 PRO A 47 1.623 9.372 16.778 1.00 1.36 H new ATOM 0 HG2 PRO A 47 3.392 7.486 15.323 1.00 1.39 H new ATOM 0 HG3 PRO A 47 2.049 7.134 16.394 1.00 1.39 H new ATOM 0 HD2 PRO A 47 2.035 7.268 13.459 1.00 1.26 H new ATOM 0 HD3 PRO A 47 0.758 6.708 14.520 1.00 1.26 H new ATOM 702 N GLN A 48 2.641 11.310 12.934 1.00 0.95 N ATOM 703 CA GLN A 48 3.691 11.736 12.007 1.00 0.84 C ATOM 704 C GLN A 48 3.553 13.223 11.666 1.00 0.90 C ATOM 705 O GLN A 48 4.552 13.942 11.615 1.00 1.04 O ATOM 706 CB GLN A 48 3.714 10.880 10.726 1.00 0.83 C ATOM 707 CG GLN A 48 2.698 11.282 9.673 1.00 1.00 C ATOM 708 CD GLN A 48 1.250 11.088 10.088 1.00 1.29 C ATOM 709 OE1 GLN A 48 0.355 11.694 9.510 1.00 2.23 O ATOM 710 NE2 GLN A 48 0.995 10.214 11.060 1.00 1.15 N ATOM 0 H GLN A 48 1.813 11.906 12.945 1.00 0.95 H new ATOM 0 HA GLN A 48 4.645 11.587 12.513 1.00 0.84 H new ATOM 0 HB2 GLN A 48 4.711 10.934 10.288 1.00 0.83 H new ATOM 0 HB3 GLN A 48 3.541 9.839 10.999 1.00 0.83 H new ATOM 0 HG2 GLN A 48 2.852 12.331 9.419 1.00 1.00 H new ATOM 0 HG3 GLN A 48 2.884 10.704 8.768 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.763 9.726 11.521 1.00 1.15 H new ATOM 0 HE22 GLN A 48 0.032 10.033 11.343 1.00 1.15 H new ATOM 719 N ASP A 49 2.316 13.678 11.451 1.00 0.99 N ATOM 720 CA ASP A 49 2.054 15.086 11.130 1.00 1.16 C ATOM 721 C ASP A 49 0.577 15.306 10.813 1.00 1.20 C ATOM 722 O ASP A 49 0.009 16.355 11.122 1.00 1.33 O ATOM 723 CB ASP A 49 2.908 15.538 9.941 1.00 1.28 C ATOM 724 CG ASP A 49 2.806 17.032 9.687 1.00 1.51 C ATOM 725 OD1 ASP A 49 1.688 17.508 9.404 1.00 1.70 O ATOM 726 OD2 ASP A 49 3.843 17.722 9.771 1.00 1.81 O ATOM 0 H ASP A 49 1.481 13.094 11.493 1.00 0.99 H new ATOM 0 HA ASP A 49 2.319 15.681 12.004 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.950 15.274 10.125 1.00 1.28 H new ATOM 0 HB3 ASP A 49 2.595 14.998 9.047 1.00 1.28 H new ATOM 731 N GLN A 50 -0.025 14.306 10.189 1.00 1.19 N ATOM 732 CA GLN A 50 -1.436 14.347 9.800 1.00 1.31 C ATOM 733 C GLN A 50 -1.742 15.560 8.918 1.00 1.33 C ATOM 734 O GLN A 50 -2.694 16.295 9.182 1.00 1.40 O ATOM 735 CB GLN A 50 -2.342 14.403 11.026 1.00 1.42 C ATOM 736 CG GLN A 50 -1.799 13.685 12.243 1.00 1.67 C ATOM 737 CD GLN A 50 -2.011 12.194 12.166 1.00 1.43 C ATOM 738 OE1 GLN A 50 -0.957 11.478 11.826 1.00 2.03 O flip ATOM 739 NE2 GLN A 50 -3.115 11.696 12.384 1.00 1.24 N flip ATOM 0 H GLN A 50 0.448 13.438 9.935 1.00 1.19 H new ATOM 0 HA GLN A 50 -1.630 13.434 9.238 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.518 15.447 11.285 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -3.309 13.972 10.767 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.734 13.894 12.341 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -2.284 14.074 13.139 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -3.901 12.292 12.644 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -3.244 10.687 12.304 1.00 1.24 H new ATOM 748 N PRO A 51 -0.950 15.799 7.859 1.00 1.35 N ATOM 749 CA PRO A 51 -1.152 16.926 6.964 1.00 1.46 C ATOM 750 C PRO A 51 -2.021 16.577 5.758 1.00 1.54 C ATOM 751 O PRO A 51 -3.194 16.943 5.692 1.00 2.26 O ATOM 752 CB PRO A 51 0.272 17.261 6.515 1.00 1.52 C ATOM 753 CG PRO A 51 1.110 16.049 6.817 1.00 1.53 C ATOM 754 CD PRO A 51 0.212 15.014 7.444 1.00 1.37 C ATOM 0 HA PRO A 51 -1.676 17.747 7.453 1.00 1.46 H new ATOM 0 HB2 PRO A 51 0.298 17.496 5.451 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.650 18.136 7.044 1.00 1.52 H new ATOM 0 HG2 PRO A 51 1.562 15.660 5.905 1.00 1.53 H new ATOM 0 HG3 PRO A 51 1.926 16.307 7.492 1.00 1.53 H new ATOM 0 HD2 PRO A 51 -0.061 14.233 6.735 1.00 1.37 H new ATOM 0 HD3 PRO A 51 0.691 14.523 8.291 1.00 1.37 H new ATOM 762 N ASP A 52 -1.425 15.875 4.801 1.00 1.24 N ATOM 763 CA ASP A 52 -2.113 15.474 3.585 1.00 1.23 C ATOM 764 C ASP A 52 -1.530 14.166 3.056 1.00 0.91 C ATOM 765 O ASP A 52 -0.649 14.161 2.197 1.00 1.55 O ATOM 766 CB ASP A 52 -1.994 16.578 2.535 1.00 1.67 C ATOM 767 CG ASP A 52 -0.585 17.137 2.448 1.00 2.16 C ATOM 768 OD1 ASP A 52 -0.121 17.736 3.441 1.00 2.69 O ATOM 769 OD2 ASP A 52 0.056 16.967 1.394 1.00 2.56 O ATOM 0 H ASP A 52 -0.453 15.570 4.848 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.168 15.314 3.808 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -2.288 16.185 1.562 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -2.688 17.383 2.776 1.00 1.67 H new ATOM 774 N TYR A 53 -2.025 13.061 3.600 1.00 0.76 N ATOM 775 CA TYR A 53 -1.573 11.733 3.231 1.00 1.08 C ATOM 776 C TYR A 53 -2.047 11.339 1.837 1.00 0.87 C ATOM 777 O TYR A 53 -3.212 10.997 1.638 1.00 0.98 O ATOM 778 CB TYR A 53 -2.091 10.756 4.283 1.00 1.83 C ATOM 779 CG TYR A 53 -1.954 9.295 3.943 1.00 2.62 C ATOM 780 CD1 TYR A 53 -0.766 8.773 3.456 1.00 3.32 C ATOM 781 CD2 TYR A 53 -3.019 8.435 4.138 1.00 3.26 C ATOM 782 CE1 TYR A 53 -0.651 7.428 3.165 1.00 4.46 C ATOM 783 CE2 TYR A 53 -2.913 7.088 3.854 1.00 4.34 C ATOM 784 CZ TYR A 53 -1.726 6.590 3.367 1.00 4.90 C ATOM 785 OH TYR A 53 -1.611 5.249 3.083 1.00 6.13 O ATOM 0 H TYR A 53 -2.755 13.065 4.313 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.484 11.714 3.198 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -1.562 10.944 5.218 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -3.144 10.971 4.464 1.00 1.83 H new ATOM 0 HD1 TYR A 53 0.080 9.426 3.302 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -3.951 8.824 4.520 1.00 3.26 H new ATOM 0 HE1 TYR A 53 0.278 7.034 2.780 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -3.755 6.430 4.013 1.00 4.34 H new ATOM 0 HH TYR A 53 -2.198 4.737 3.678 1.00 6.13 H new ATOM 795 N LEU A 54 -1.125 11.380 0.878 1.00 0.72 N ATOM 796 CA LEU A 54 -1.443 11.012 -0.498 1.00 0.59 C ATOM 797 C LEU A 54 -1.336 9.503 -0.665 1.00 0.61 C ATOM 798 O LEU A 54 -0.249 8.933 -0.569 1.00 0.88 O ATOM 799 CB LEU A 54 -0.498 11.712 -1.479 1.00 0.60 C ATOM 800 CG LEU A 54 -0.879 11.577 -2.960 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.149 12.356 -3.257 1.00 0.92 C ATOM 802 CD2 LEU A 54 0.265 12.048 -3.845 1.00 1.10 C ATOM 0 H LEU A 54 -0.157 11.663 1.028 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.463 11.330 -0.715 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.456 12.771 -1.226 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.506 11.311 -1.340 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.069 10.526 -3.176 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -2.404 12.249 -4.311 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -2.964 11.969 -2.646 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -1.992 13.410 -3.027 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.020 11.946 -4.892 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.486 13.093 -3.629 1.00 1.10 H new ATOM 0 HD23 LEU A 54 1.150 11.442 -3.649 1.00 1.10 H new ATOM 814 N ASN A 55 -2.470 8.857 -0.899 1.00 0.50 N ATOM 815 CA ASN A 55 -2.494 7.406 -1.058 1.00 0.58 C ATOM 816 C ASN A 55 -2.790 7.004 -2.497 1.00 0.57 C ATOM 817 O ASN A 55 -3.552 7.669 -3.198 1.00 0.70 O ATOM 818 CB ASN A 55 -3.531 6.782 -0.122 1.00 0.82 C ATOM 819 CG ASN A 55 -3.550 5.268 -0.210 1.00 1.80 C ATOM 820 OD1 ASN A 55 -3.849 4.695 -1.258 1.00 2.63 O ATOM 821 ND2 ASN A 55 -3.230 4.609 0.898 1.00 2.49 N ATOM 0 H ASN A 55 -3.380 9.309 -0.983 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.503 7.033 -0.799 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -3.317 7.081 0.904 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -4.519 7.170 -0.368 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -3.226 3.589 0.902 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -2.988 5.123 1.745 1.00 2.49 H new ATOM 828 N ALA A 56 -2.183 5.900 -2.924 1.00 0.51 N ATOM 829 CA ALA A 56 -2.378 5.390 -4.275 1.00 0.57 C ATOM 830 C ALA A 56 -1.839 3.969 -4.408 1.00 0.54 C ATOM 831 O ALA A 56 -0.631 3.767 -4.532 1.00 0.75 O ATOM 832 CB ALA A 56 -1.700 6.305 -5.284 1.00 0.61 C ATOM 0 H ALA A 56 -1.551 5.341 -2.351 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.449 5.367 -4.478 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -1.852 5.914 -6.290 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.129 7.305 -5.215 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.632 6.353 -5.071 1.00 0.61 H new ATOM 838 N ALA A 57 -2.736 2.984 -4.386 1.00 0.31 N ATOM 839 CA ALA A 57 -2.331 1.592 -4.509 1.00 0.29 C ATOM 840 C ALA A 57 -2.094 1.223 -5.969 1.00 0.29 C ATOM 841 O ALA A 57 -2.598 1.893 -6.872 1.00 0.39 O ATOM 842 CB ALA A 57 -3.384 0.684 -3.897 1.00 0.33 C ATOM 0 H ALA A 57 -3.741 3.127 -4.285 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.394 1.458 -3.969 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.070 -0.355 -3.995 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.506 0.928 -2.842 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.333 0.827 -4.415 1.00 0.33 H new ATOM 848 N VAL A 58 -1.328 0.157 -6.201 1.00 0.26 N ATOM 849 CA VAL A 58 -1.033 -0.287 -7.562 1.00 0.27 C ATOM 850 C VAL A 58 -0.828 -1.798 -7.632 1.00 0.27 C ATOM 851 O VAL A 58 -0.100 -2.372 -6.822 1.00 0.28 O ATOM 852 CB VAL A 58 0.228 0.403 -8.121 1.00 0.31 C ATOM 853 CG1 VAL A 58 0.012 1.902 -8.259 1.00 1.20 C ATOM 854 CG2 VAL A 58 1.434 0.115 -7.239 1.00 0.98 C ATOM 0 H VAL A 58 -0.903 -0.412 -5.469 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.898 -0.012 -8.165 1.00 0.27 H new ATOM 0 HB VAL A 58 0.423 -0.004 -9.113 1.00 0.31 H new ATOM 0 HG11 VAL A 58 0.916 2.365 -8.655 1.00 1.20 H new ATOM 0 HG12 VAL A 58 -0.819 2.089 -8.939 1.00 1.20 H new ATOM 0 HG13 VAL A 58 -0.216 2.328 -7.282 1.00 1.20 H new ATOM 0 HG21 VAL A 58 2.313 0.611 -7.651 1.00 0.98 H new ATOM 0 HG22 VAL A 58 1.246 0.488 -6.232 1.00 0.98 H new ATOM 0 HG23 VAL A 58 1.609 -0.960 -7.201 1.00 0.98 H new ATOM 864 N ALA A 59 -1.471 -2.441 -8.608 1.00 0.28 N ATOM 865 CA ALA A 59 -1.339 -3.883 -8.777 1.00 0.29 C ATOM 866 C ALA A 59 -0.022 -4.223 -9.463 1.00 0.31 C ATOM 867 O ALA A 59 0.077 -4.212 -10.690 1.00 0.50 O ATOM 868 CB ALA A 59 -2.510 -4.432 -9.575 1.00 0.31 C ATOM 0 H ALA A 59 -2.083 -1.988 -9.287 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.343 -4.347 -7.791 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.397 -5.510 -9.693 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.440 -4.220 -9.048 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.534 -3.960 -10.557 1.00 0.31 H new ATOM 874 N LEU A 60 0.989 -4.514 -8.654 1.00 0.28 N ATOM 875 CA LEU A 60 2.315 -4.848 -9.161 1.00 0.28 C ATOM 876 C LEU A 60 2.345 -6.231 -9.788 1.00 0.30 C ATOM 877 O LEU A 60 2.106 -7.232 -9.117 1.00 0.33 O ATOM 878 CB LEU A 60 3.345 -4.789 -8.029 1.00 0.29 C ATOM 879 CG LEU A 60 4.793 -5.100 -8.435 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.295 -4.066 -9.432 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.684 -5.131 -7.203 1.00 0.31 C ATOM 0 H LEU A 60 0.915 -4.525 -7.637 1.00 0.28 H new ATOM 0 HA LEU A 60 2.562 -4.115 -9.929 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.316 -3.793 -7.587 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.045 -5.492 -7.252 1.00 0.29 H new ATOM 0 HG LEU A 60 4.824 -6.080 -8.912 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.323 -4.299 -9.711 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.665 -4.082 -10.321 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.258 -3.075 -8.979 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.709 -5.352 -7.501 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.652 -4.161 -6.706 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.331 -5.902 -6.518 1.00 0.31 H new ATOM 893 N GLU A 61 2.688 -6.284 -11.066 1.00 0.32 N ATOM 894 CA GLU A 61 2.800 -7.551 -11.760 1.00 0.36 C ATOM 895 C GLU A 61 4.164 -8.134 -11.437 1.00 0.34 C ATOM 896 O GLU A 61 5.154 -7.836 -12.108 1.00 0.36 O ATOM 897 CB GLU A 61 2.657 -7.350 -13.269 1.00 0.43 C ATOM 898 CG GLU A 61 2.554 -8.646 -14.056 1.00 0.52 C ATOM 899 CD GLU A 61 1.303 -9.441 -13.727 1.00 1.37 C ATOM 900 OE1 GLU A 61 1.157 -9.867 -12.561 1.00 2.11 O ATOM 901 OE2 GLU A 61 0.469 -9.634 -14.635 1.00 1.88 O ATOM 0 H GLU A 61 2.892 -5.465 -11.639 1.00 0.32 H new ATOM 0 HA GLU A 61 2.008 -8.228 -11.439 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.770 -6.747 -13.463 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.514 -6.783 -13.633 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.564 -8.419 -15.122 1.00 0.52 H new ATOM 0 HG3 GLU A 61 3.432 -9.259 -13.852 1.00 0.52 H new ATOM 908 N THR A 62 4.222 -8.925 -10.379 1.00 0.34 N ATOM 909 CA THR A 62 5.480 -9.500 -9.940 1.00 0.35 C ATOM 910 C THR A 62 5.343 -10.968 -9.579 1.00 0.39 C ATOM 911 O THR A 62 4.298 -11.418 -9.111 1.00 0.61 O ATOM 912 CB THR A 62 6.002 -8.720 -8.732 1.00 0.40 C ATOM 913 OG1 THR A 62 7.135 -9.356 -8.171 1.00 0.43 O ATOM 914 CG2 THR A 62 4.973 -8.560 -7.633 1.00 0.52 C ATOM 0 H THR A 62 3.415 -9.182 -9.811 1.00 0.34 H new ATOM 0 HA THR A 62 6.184 -9.430 -10.769 1.00 0.35 H new ATOM 0 HB THR A 62 6.257 -7.733 -9.117 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.901 -9.249 -8.772 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.408 -7.998 -6.806 1.00 0.52 H new ATOM 0 HG22 THR A 62 4.107 -8.024 -8.021 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.662 -9.543 -7.279 1.00 0.52 H new ATOM 922 N SER A 63 6.429 -11.699 -9.778 1.00 0.37 N ATOM 923 CA SER A 63 6.476 -13.112 -9.454 1.00 0.48 C ATOM 924 C SER A 63 7.520 -13.329 -8.374 1.00 0.42 C ATOM 925 O SER A 63 7.856 -14.461 -8.027 1.00 0.45 O ATOM 926 CB SER A 63 6.814 -13.939 -10.697 1.00 0.69 C ATOM 927 OG SER A 63 5.842 -13.756 -11.711 1.00 1.22 O ATOM 0 H SER A 63 7.297 -11.330 -10.167 1.00 0.37 H new ATOM 0 HA SER A 63 5.500 -13.436 -9.093 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.795 -13.651 -11.073 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.872 -14.994 -10.431 1.00 0.69 H new ATOM 0 HG SER A 63 6.082 -14.293 -12.495 1.00 1.22 H new ATOM 933 N LEU A 64 8.027 -12.217 -7.849 1.00 0.37 N ATOM 934 CA LEU A 64 9.039 -12.252 -6.803 1.00 0.35 C ATOM 935 C LEU A 64 8.425 -12.755 -5.497 1.00 0.50 C ATOM 936 O LEU A 64 7.269 -12.454 -5.197 1.00 0.82 O ATOM 937 CB LEU A 64 9.640 -10.849 -6.634 1.00 0.49 C ATOM 938 CG LEU A 64 10.959 -10.762 -5.857 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.732 -10.991 -4.375 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.972 -11.758 -6.404 1.00 0.84 C ATOM 0 H LEU A 64 7.751 -11.277 -8.134 1.00 0.37 H new ATOM 0 HA LEU A 64 9.837 -12.940 -7.081 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.798 -10.423 -7.625 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.905 -10.221 -6.131 1.00 0.49 H new ATOM 0 HG LEU A 64 11.361 -9.757 -5.986 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.683 -10.924 -3.847 1.00 0.90 H new ATOM 0 HD12 LEU A 64 10.049 -10.234 -3.990 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.301 -11.980 -4.222 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.901 -11.680 -5.839 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.575 -12.769 -6.312 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.167 -11.539 -7.454 1.00 0.84 H new ATOM 952 N ALA A 65 9.199 -13.527 -4.732 1.00 0.58 N ATOM 953 CA ALA A 65 8.728 -14.078 -3.466 1.00 0.89 C ATOM 954 C ALA A 65 7.952 -13.037 -2.666 1.00 0.60 C ATOM 955 O ALA A 65 8.399 -11.904 -2.517 1.00 0.59 O ATOM 956 CB ALA A 65 9.900 -14.604 -2.650 1.00 1.41 C ATOM 0 H ALA A 65 10.157 -13.784 -4.971 1.00 0.58 H new ATOM 0 HA ALA A 65 8.053 -14.904 -3.689 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.533 -15.012 -1.708 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.411 -15.387 -3.210 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.596 -13.790 -2.446 1.00 1.41 H new ATOM 962 N PRO A 66 6.767 -13.404 -2.151 1.00 0.50 N ATOM 963 CA PRO A 66 5.927 -12.486 -1.373 1.00 0.40 C ATOM 964 C PRO A 66 6.648 -11.895 -0.173 1.00 0.41 C ATOM 965 O PRO A 66 6.226 -10.881 0.376 1.00 0.62 O ATOM 966 CB PRO A 66 4.778 -13.365 -0.884 1.00 0.47 C ATOM 967 CG PRO A 66 4.745 -14.533 -1.807 1.00 0.75 C ATOM 968 CD PRO A 66 6.151 -14.736 -2.294 1.00 0.64 C ATOM 0 HA PRO A 66 5.619 -11.635 -1.980 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.940 -13.684 0.146 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.833 -12.822 -0.905 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.381 -15.423 -1.293 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.069 -14.348 -2.642 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.676 -15.485 -1.701 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.171 -15.077 -3.329 1.00 0.64 H new ATOM 976 N GLU A 67 7.725 -12.542 0.241 1.00 0.40 N ATOM 977 CA GLU A 67 8.492 -12.097 1.393 1.00 0.44 C ATOM 978 C GLU A 67 9.571 -11.116 1.001 1.00 0.37 C ATOM 979 O GLU A 67 9.837 -10.154 1.722 1.00 0.40 O ATOM 980 CB GLU A 67 9.097 -13.301 2.115 1.00 0.57 C ATOM 981 CG GLU A 67 9.449 -14.448 1.182 1.00 0.65 C ATOM 982 CD GLU A 67 10.160 -15.584 1.891 1.00 0.80 C ATOM 983 OE1 GLU A 67 11.253 -15.346 2.446 1.00 1.28 O ATOM 984 OE2 GLU A 67 9.623 -16.711 1.893 1.00 1.19 O ATOM 0 H GLU A 67 8.090 -13.383 -0.207 1.00 0.40 H new ATOM 0 HA GLU A 67 7.812 -11.579 2.069 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.995 -12.984 2.645 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.392 -13.657 2.867 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.538 -14.828 0.720 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.082 -14.075 0.377 1.00 0.65 H new ATOM 991 N GLU A 68 10.193 -11.351 -0.137 1.00 0.34 N ATOM 992 CA GLU A 68 11.245 -10.467 -0.599 1.00 0.31 C ATOM 993 C GLU A 68 10.666 -9.295 -1.386 1.00 0.29 C ATOM 994 O GLU A 68 11.268 -8.226 -1.440 1.00 0.30 O ATOM 995 CB GLU A 68 12.272 -11.224 -1.432 1.00 0.37 C ATOM 996 CG GLU A 68 13.465 -10.368 -1.810 1.00 0.34 C ATOM 997 CD GLU A 68 14.520 -11.132 -2.586 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.310 -12.334 -2.855 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.558 -10.525 -2.928 1.00 1.02 O ATOM 0 H GLU A 68 9.991 -12.138 -0.754 1.00 0.34 H new ATOM 0 HA GLU A 68 11.754 -10.068 0.278 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.617 -12.094 -0.873 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.795 -11.596 -2.339 1.00 0.37 H new ATOM 0 HG2 GLU A 68 13.124 -9.522 -2.407 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.913 -9.959 -0.905 1.00 0.34 H new ATOM 1006 N LEU A 69 9.490 -9.495 -1.977 1.00 0.32 N ATOM 1007 CA LEU A 69 8.834 -8.438 -2.740 1.00 0.36 C ATOM 1008 C LEU A 69 8.520 -7.281 -1.814 1.00 0.35 C ATOM 1009 O LEU A 69 8.941 -6.152 -2.059 1.00 0.41 O ATOM 1010 CB LEU A 69 7.560 -8.962 -3.413 1.00 0.42 C ATOM 1011 CG LEU A 69 6.834 -7.983 -4.352 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.137 -6.879 -3.572 1.00 1.08 C ATOM 1013 CD2 LEU A 69 7.808 -7.387 -5.359 1.00 1.51 C ATOM 0 H LEU A 69 8.975 -10.375 -1.942 1.00 0.32 H new ATOM 0 HA LEU A 69 9.503 -8.095 -3.529 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.816 -9.856 -3.982 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.863 -9.269 -2.634 1.00 0.42 H new ATOM 0 HG LEU A 69 6.071 -8.545 -4.891 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.634 -6.205 -4.266 1.00 1.08 H new ATOM 0 HD12 LEU A 69 5.403 -7.318 -2.897 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.874 -6.321 -2.994 1.00 1.08 H new ATOM 0 HD21 LEU A 69 7.277 -6.697 -6.015 1.00 1.51 H new ATOM 0 HD22 LEU A 69 8.596 -6.851 -4.830 1.00 1.51 H new ATOM 0 HD23 LEU A 69 8.250 -8.186 -5.955 1.00 1.51 H new ATOM 1025 N LEU A 70 7.808 -7.576 -0.729 1.00 0.33 N ATOM 1026 CA LEU A 70 7.483 -6.559 0.255 1.00 0.39 C ATOM 1027 C LEU A 70 8.767 -5.859 0.656 1.00 0.42 C ATOM 1028 O LEU A 70 8.899 -4.648 0.519 1.00 0.61 O ATOM 1029 CB LEU A 70 6.802 -7.194 1.476 1.00 0.44 C ATOM 1030 CG LEU A 70 6.752 -6.322 2.736 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.468 -6.579 3.509 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.956 -6.604 3.624 1.00 1.01 C ATOM 0 H LEU A 70 7.449 -8.506 -0.514 1.00 0.33 H new ATOM 0 HA LEU A 70 6.787 -5.835 -0.169 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.782 -7.463 1.201 1.00 0.44 H new ATOM 0 HB3 LEU A 70 7.322 -8.121 1.718 1.00 0.44 H new ATOM 0 HG LEU A 70 6.776 -5.276 2.430 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.448 -5.952 4.400 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.611 -6.341 2.879 1.00 1.16 H new ATOM 0 HD13 LEU A 70 5.423 -7.628 3.802 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.906 -5.977 4.514 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.953 -7.653 3.918 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.872 -6.383 3.076 1.00 1.01 H new ATOM 1044 N ASN A 71 9.719 -6.648 1.127 1.00 0.31 N ATOM 1045 CA ASN A 71 11.018 -6.127 1.533 1.00 0.35 C ATOM 1046 C ASN A 71 11.674 -5.313 0.420 1.00 0.38 C ATOM 1047 O ASN A 71 12.393 -4.352 0.696 1.00 0.45 O ATOM 1048 CB ASN A 71 11.942 -7.260 1.961 1.00 0.36 C ATOM 1049 CG ASN A 71 11.604 -7.768 3.348 1.00 1.06 C ATOM 1050 OD1 ASN A 71 11.510 -6.989 4.295 1.00 1.87 O ATOM 1051 ND2 ASN A 71 11.430 -9.074 3.477 1.00 1.53 N ATOM 0 H ASN A 71 9.617 -7.657 1.239 1.00 0.31 H new ATOM 0 HA ASN A 71 10.849 -5.464 2.381 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.868 -8.079 1.246 1.00 0.36 H new ATOM 0 HB3 ASN A 71 12.975 -6.913 1.943 1.00 0.36 H new ATOM 0 HD21 ASN A 71 11.208 -9.471 4.390 1.00 1.53 H new ATOM 0 HD22 ASN A 71 11.518 -9.683 2.663 1.00 1.53 H new ATOM 1058 N HIS A 72 11.412 -5.674 -0.836 1.00 0.35 N ATOM 1059 CA HIS A 72 11.976 -4.932 -1.957 1.00 0.42 C ATOM 1060 C HIS A 72 11.334 -3.566 -2.006 1.00 0.41 C ATOM 1061 O HIS A 72 12.012 -2.548 -2.153 1.00 0.43 O ATOM 1062 CB HIS A 72 11.771 -5.657 -3.290 1.00 0.51 C ATOM 1063 CG HIS A 72 12.802 -6.703 -3.570 1.00 1.07 C ATOM 1064 ND1 HIS A 72 14.152 -6.493 -3.386 1.00 2.09 N ATOM 1065 CD2 HIS A 72 12.681 -7.961 -4.051 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.817 -7.578 -3.740 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.946 -8.484 -4.147 1.00 2.56 N ATOM 0 H HIS A 72 10.822 -6.464 -1.098 1.00 0.35 H new ATOM 0 HA HIS A 72 13.052 -4.843 -1.805 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.785 -6.121 -3.293 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.781 -4.925 -4.097 1.00 0.51 H new ATOM 0 HD1 HIS A 72 14.572 -5.634 -3.032 1.00 2.09 H new ATOM 0 HD2 HIS A 72 11.760 -8.461 -4.311 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.889 -7.703 -3.703 1.00 2.99 H new ATOM 1076 N THR A 73 10.020 -3.548 -1.849 1.00 0.45 N ATOM 1077 CA THR A 73 9.287 -2.301 -1.839 1.00 0.49 C ATOM 1078 C THR A 73 9.696 -1.492 -0.616 1.00 0.46 C ATOM 1079 O THR A 73 9.667 -0.263 -0.630 1.00 0.47 O ATOM 1080 CB THR A 73 7.785 -2.557 -1.823 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.381 -3.166 -0.611 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.321 -3.444 -2.957 1.00 0.66 C ATOM 0 H THR A 73 9.445 -4.381 -1.727 1.00 0.45 H new ATOM 0 HA THR A 73 9.523 -1.742 -2.744 1.00 0.49 H new ATOM 0 HB THR A 73 7.329 -1.573 -1.934 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.004 -3.887 -0.384 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.243 -3.588 -2.889 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.565 -2.974 -3.910 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.821 -4.410 -2.891 1.00 0.66 H new ATOM 1090 N GLN A 74 10.105 -2.203 0.436 1.00 0.49 N ATOM 1091 CA GLN A 74 10.548 -1.563 1.663 1.00 0.49 C ATOM 1092 C GLN A 74 11.841 -0.804 1.404 1.00 0.43 C ATOM 1093 O GLN A 74 12.179 0.139 2.120 1.00 0.45 O ATOM 1094 CB GLN A 74 10.768 -2.594 2.781 1.00 0.60 C ATOM 1095 CG GLN A 74 9.552 -3.460 3.099 1.00 0.65 C ATOM 1096 CD GLN A 74 8.299 -2.667 3.449 1.00 0.87 C ATOM 1097 OE1 GLN A 74 7.214 -3.236 3.566 1.00 1.66 O ATOM 1098 NE2 GLN A 74 8.438 -1.360 3.641 1.00 1.05 N ATOM 0 H GLN A 74 10.136 -3.222 0.457 1.00 0.49 H new ATOM 0 HA GLN A 74 9.771 -0.871 1.987 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.596 -3.244 2.499 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.070 -2.068 3.687 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.338 -4.097 2.241 1.00 0.65 H new ATOM 0 HG3 GLN A 74 9.796 -4.119 3.932 1.00 0.65 H new ATOM 0 HE21 GLN A 74 9.354 -0.923 3.535 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.629 -0.793 3.895 1.00 1.05 H new ATOM 1107 N ARG A 75 12.560 -1.228 0.368 1.00 0.44 N ATOM 1108 CA ARG A 75 13.817 -0.595 -0.003 1.00 0.46 C ATOM 1109 C ARG A 75 13.574 0.826 -0.483 1.00 0.43 C ATOM 1110 O ARG A 75 14.460 1.675 -0.398 1.00 0.52 O ATOM 1111 CB ARG A 75 14.529 -1.402 -1.088 1.00 0.59 C ATOM 1112 CG ARG A 75 15.860 -0.810 -1.520 1.00 1.17 C ATOM 1113 CD ARG A 75 16.518 -1.652 -2.602 1.00 1.93 C ATOM 1114 NE ARG A 75 16.773 -3.018 -2.151 1.00 2.51 N ATOM 1115 CZ ARG A 75 17.324 -3.956 -2.916 1.00 2.97 C ATOM 1116 NH1 ARG A 75 17.684 -3.675 -4.161 1.00 3.08 N ATOM 1117 NH2 ARG A 75 17.516 -5.178 -2.437 1.00 3.82 N ATOM 0 H ARG A 75 12.290 -2.010 -0.229 1.00 0.44 H new ATOM 0 HA ARG A 75 14.456 -0.563 0.880 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.694 -2.416 -0.724 1.00 0.59 H new ATOM 0 HB3 ARG A 75 13.877 -1.478 -1.958 1.00 0.59 H new ATOM 0 HG2 ARG A 75 15.706 0.204 -1.889 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.524 -0.738 -0.659 1.00 1.17 H new ATOM 0 HD2 ARG A 75 15.878 -1.675 -3.484 1.00 1.93 H new ATOM 0 HD3 ARG A 75 17.457 -1.188 -2.902 1.00 1.93 H new ATOM 0 HE ARG A 75 16.514 -3.266 -1.196 1.00 2.51 H new ATOM 0 HH11 ARG A 75 17.539 -2.737 -4.535 1.00 3.08 H new ATOM 0 HH12 ARG A 75 18.106 -4.397 -4.745 1.00 3.08 H new ATOM 0 HH21 ARG A 75 17.241 -5.400 -1.480 1.00 3.82 H new ATOM 0 HH22 ARG A 75 17.939 -5.896 -3.026 1.00 3.82 H new ATOM 1131 N ILE A 76 12.363 1.091 -0.966 1.00 0.43 N ATOM 1132 CA ILE A 76 12.022 2.425 -1.426 1.00 0.48 C ATOM 1133 C ILE A 76 11.948 3.346 -0.231 1.00 0.49 C ATOM 1134 O ILE A 76 12.267 4.528 -0.318 1.00 0.60 O ATOM 1135 CB ILE A 76 10.689 2.462 -2.197 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.737 1.462 -3.358 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.420 3.873 -2.709 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.516 1.495 -4.252 1.00 1.42 C ATOM 0 H ILE A 76 11.612 0.405 -1.047 1.00 0.43 H new ATOM 0 HA ILE A 76 12.798 2.751 -2.119 1.00 0.48 H new ATOM 0 HB ILE A 76 9.876 2.181 -1.528 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.622 1.664 -3.962 1.00 0.62 H new ATOM 0 HG13 ILE A 76 10.851 0.456 -2.953 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.475 3.889 -3.253 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.365 4.562 -1.866 1.00 0.64 H new ATOM 0 HG23 ILE A 76 11.227 4.178 -3.375 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.628 0.759 -5.048 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.628 1.262 -3.664 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.411 2.488 -4.688 1.00 1.42 H new ATOM 1150 N GLU A 77 11.553 2.777 0.899 1.00 0.45 N ATOM 1151 CA GLU A 77 11.469 3.525 2.138 1.00 0.52 C ATOM 1152 C GLU A 77 12.858 3.997 2.550 1.00 0.52 C ATOM 1153 O GLU A 77 13.010 5.019 3.219 1.00 0.71 O ATOM 1154 CB GLU A 77 10.859 2.658 3.237 1.00 0.59 C ATOM 1155 CG GLU A 77 9.399 2.309 3.002 1.00 0.95 C ATOM 1156 CD GLU A 77 8.804 1.494 4.133 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.547 1.161 5.082 1.00 1.59 O ATOM 1158 OE2 GLU A 77 7.597 1.182 4.070 1.00 1.52 O ATOM 0 H GLU A 77 11.285 1.796 0.980 1.00 0.45 H new ATOM 0 HA GLU A 77 10.829 4.394 1.986 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.434 1.736 3.321 1.00 0.59 H new ATOM 0 HB3 GLU A 77 10.950 3.179 4.190 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.825 3.228 2.880 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.308 1.751 2.070 1.00 0.95 H new ATOM 1165 N LEU A 78 13.873 3.244 2.131 1.00 0.47 N ATOM 1166 CA LEU A 78 15.257 3.579 2.436 1.00 0.56 C ATOM 1167 C LEU A 78 15.809 4.549 1.399 1.00 0.57 C ATOM 1168 O LEU A 78 16.327 5.612 1.743 1.00 0.66 O ATOM 1169 CB LEU A 78 16.119 2.314 2.473 1.00 0.63 C ATOM 1170 CG LEU A 78 15.728 1.286 3.538 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.619 0.057 3.439 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.814 1.895 4.929 1.00 0.84 C ATOM 0 H LEU A 78 13.759 2.395 1.577 1.00 0.47 H new ATOM 0 HA LEU A 78 15.285 4.054 3.417 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.074 1.835 1.495 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.156 2.606 2.637 1.00 0.63 H new ATOM 0 HG LEU A 78 14.696 0.983 3.361 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.329 -0.665 4.202 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.509 -0.394 2.453 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.658 0.348 3.591 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.532 1.148 5.671 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.835 2.227 5.118 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.137 2.746 4.996 1.00 0.84 H new ATOM 1184 N GLN A 79 15.695 4.173 0.127 1.00 0.56 N ATOM 1185 CA GLN A 79 16.185 5.010 -0.968 1.00 0.63 C ATOM 1186 C GLN A 79 15.521 6.388 -0.964 1.00 0.66 C ATOM 1187 O GLN A 79 16.141 7.384 -1.338 1.00 0.84 O ATOM 1188 CB GLN A 79 15.928 4.329 -2.313 1.00 0.67 C ATOM 1189 CG GLN A 79 16.638 2.996 -2.463 1.00 0.93 C ATOM 1190 CD GLN A 79 16.492 2.422 -3.856 1.00 1.22 C ATOM 1191 OE1 GLN A 79 15.817 1.285 -3.957 1.00 1.95 O flip ATOM 1192 NE2 GLN A 79 16.972 2.996 -4.831 1.00 1.30 N flip ATOM 0 H GLN A 79 15.268 3.296 -0.171 1.00 0.56 H new ATOM 0 HA GLN A 79 17.257 5.143 -0.821 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.856 4.176 -2.435 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.248 4.994 -3.115 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.696 3.122 -2.233 1.00 0.93 H new ATOM 0 HG3 GLN A 79 16.236 2.289 -1.737 1.00 0.93 H new ATOM 0 HE21 GLN A 79 17.484 3.869 -4.708 1.00 1.30 H new ATOM 0 HE22 GLN A 79 16.858 2.599 -5.764 1.00 1.30 H new ATOM 1201 N GLN A 80 14.256 6.434 -0.554 1.00 0.54 N ATOM 1202 CA GLN A 80 13.503 7.682 -0.517 1.00 0.59 C ATOM 1203 C GLN A 80 13.963 8.561 0.642 1.00 0.68 C ATOM 1204 O GLN A 80 13.518 9.701 0.786 1.00 0.78 O ATOM 1205 CB GLN A 80 12.011 7.377 -0.381 1.00 0.54 C ATOM 1206 CG GLN A 80 11.105 8.541 -0.734 1.00 0.99 C ATOM 1207 CD GLN A 80 11.295 9.002 -2.164 1.00 0.98 C ATOM 1208 OE1 GLN A 80 10.284 8.781 -2.993 1.00 1.68 O flip ATOM 1209 NE2 GLN A 80 12.344 9.537 -2.524 1.00 0.74 N flip ATOM 0 H GLN A 80 13.730 5.617 -0.242 1.00 0.54 H new ATOM 0 HA GLN A 80 13.681 8.223 -1.446 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.764 6.531 -1.023 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.806 7.069 0.644 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.066 8.249 -0.584 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.304 9.372 -0.057 1.00 0.99 H new ATOM 0 HE21 GLN A 80 13.096 9.688 -1.852 1.00 0.74 H new ATOM 0 HE22 GLN A 80 12.461 9.829 -3.494 1.00 0.74 H new ATOM 1218 N GLY A 81 14.854 8.021 1.465 1.00 0.74 N ATOM 1219 CA GLY A 81 15.357 8.764 2.601 1.00 0.88 C ATOM 1220 C GLY A 81 14.272 9.060 3.616 1.00 0.89 C ATOM 1221 O GLY A 81 14.272 10.121 4.240 1.00 0.99 O ATOM 0 H GLY A 81 15.236 7.081 1.364 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.155 8.197 3.080 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.795 9.701 2.256 1.00 0.88 H new ATOM 1225 N ARG A 82 13.346 8.118 3.785 1.00 0.95 N ATOM 1226 CA ARG A 82 12.256 8.285 4.733 1.00 1.07 C ATOM 1227 C ARG A 82 12.807 8.485 6.140 1.00 1.09 C ATOM 1228 O ARG A 82 13.791 7.855 6.527 1.00 1.50 O ATOM 1229 CB ARG A 82 11.312 7.074 4.683 1.00 1.34 C ATOM 1230 CG ARG A 82 11.071 6.419 6.033 1.00 1.78 C ATOM 1231 CD ARG A 82 10.057 5.293 5.936 1.00 2.05 C ATOM 1232 NE ARG A 82 9.835 4.648 7.228 1.00 2.68 N ATOM 1233 CZ ARG A 82 8.955 3.672 7.428 1.00 3.14 C ATOM 1234 NH1 ARG A 82 8.202 3.238 6.427 1.00 3.20 N ATOM 1235 NH2 ARG A 82 8.828 3.129 8.631 1.00 3.90 N ATOM 0 H ARG A 82 13.332 7.234 3.277 1.00 0.95 H new ATOM 0 HA ARG A 82 11.685 9.172 4.459 1.00 1.07 H new ATOM 0 HB2 ARG A 82 10.355 7.390 4.268 1.00 1.34 H new ATOM 0 HB3 ARG A 82 11.726 6.332 4.000 1.00 1.34 H new ATOM 0 HG2 ARG A 82 12.012 6.029 6.422 1.00 1.78 H new ATOM 0 HG3 ARG A 82 10.718 7.167 6.743 1.00 1.78 H new ATOM 0 HD2 ARG A 82 9.113 5.686 5.559 1.00 2.05 H new ATOM 0 HD3 ARG A 82 10.404 4.553 5.215 1.00 2.05 H new ATOM 0 HE ARG A 82 10.388 4.966 8.024 1.00 2.68 H new ATOM 0 HH11 ARG A 82 8.297 3.653 5.500 1.00 3.20 H new ATOM 0 HH12 ARG A 82 7.528 2.489 6.584 1.00 3.20 H new ATOM 0 HH21 ARG A 82 9.406 3.460 9.404 1.00 3.90 H new ATOM 0 HH22 ARG A 82 8.153 2.380 8.784 1.00 3.90 H new ATOM 1249 N VAL A 83 12.172 9.370 6.896 1.00 1.01 N ATOM 1250 CA VAL A 83 12.606 9.656 8.254 1.00 1.24 C ATOM 1251 C VAL A 83 11.534 9.268 9.264 1.00 1.17 C ATOM 1252 O VAL A 83 10.718 10.093 9.658 1.00 1.65 O ATOM 1253 CB VAL A 83 12.942 11.150 8.414 1.00 1.94 C ATOM 1254 CG1 VAL A 83 13.521 11.429 9.791 1.00 2.77 C ATOM 1255 CG2 VAL A 83 13.900 11.594 7.318 1.00 2.45 C ATOM 0 H VAL A 83 11.356 9.901 6.592 1.00 1.01 H new ATOM 0 HA VAL A 83 13.501 9.064 8.444 1.00 1.24 H new ATOM 0 HB VAL A 83 12.021 11.725 8.319 1.00 1.94 H new ATOM 0 HG11 VAL A 83 13.751 12.491 9.881 1.00 2.77 H new ATOM 0 HG12 VAL A 83 12.795 11.149 10.554 1.00 2.77 H new ATOM 0 HG13 VAL A 83 14.433 10.848 9.927 1.00 2.77 H new ATOM 0 HG21 VAL A 83 14.130 12.652 7.442 1.00 2.45 H new ATOM 0 HG22 VAL A 83 14.820 11.013 7.382 1.00 2.45 H new ATOM 0 HG23 VAL A 83 13.437 11.435 6.344 1.00 2.45 H new ATOM 1384 N GLY A 90 0.605 5.960 11.649 1.00 1.35 N ATOM 1385 CA GLY A 90 0.958 7.162 10.905 1.00 1.15 C ATOM 1386 C GLY A 90 1.716 6.893 9.617 1.00 1.08 C ATOM 1387 O GLY A 90 2.614 6.054 9.587 1.00 1.29 O ATOM 0 HA2 GLY A 90 0.047 7.712 10.670 1.00 1.15 H new ATOM 0 HA3 GLY A 90 1.563 7.806 11.543 1.00 1.15 H new ATOM 1391 N PRO A 91 1.372 7.602 8.522 1.00 0.96 N ATOM 1392 CA PRO A 91 2.031 7.436 7.215 1.00 1.07 C ATOM 1393 C PRO A 91 3.480 7.935 7.213 1.00 1.17 C ATOM 1394 O PRO A 91 4.387 7.186 6.849 1.00 1.60 O ATOM 1395 CB PRO A 91 1.159 8.284 6.272 1.00 1.09 C ATOM 1396 CG PRO A 91 -0.116 8.470 7.017 1.00 1.09 C ATOM 1397 CD PRO A 91 0.311 8.619 8.442 1.00 0.91 C ATOM 0 HA PRO A 91 2.104 6.388 6.925 1.00 1.07 H new ATOM 0 HB2 PRO A 91 1.631 9.240 6.047 1.00 1.09 H new ATOM 0 HB3 PRO A 91 0.994 7.778 5.321 1.00 1.09 H new ATOM 0 HG2 PRO A 91 -0.656 9.350 6.669 1.00 1.09 H new ATOM 0 HG3 PRO A 91 -0.781 7.616 6.888 1.00 1.09 H new ATOM 0 HD2 PRO A 91 0.682 9.621 8.659 1.00 0.91 H new ATOM 0 HD3 PRO A 91 -0.503 8.422 9.140 1.00 0.91 H new ATOM 1405 N ARG A 92 3.687 9.198 7.625 1.00 0.93 N ATOM 1406 CA ARG A 92 5.025 9.803 7.686 1.00 1.03 C ATOM 1407 C ARG A 92 5.450 10.331 6.313 1.00 1.13 C ATOM 1408 O ARG A 92 4.755 11.154 5.719 1.00 1.95 O ATOM 1409 CB ARG A 92 6.052 8.798 8.231 1.00 1.21 C ATOM 1410 CG ARG A 92 7.080 9.401 9.180 1.00 1.04 C ATOM 1411 CD ARG A 92 7.961 10.432 8.504 1.00 1.71 C ATOM 1412 NE ARG A 92 8.227 11.591 9.362 1.00 2.57 N ATOM 1413 CZ ARG A 92 8.618 11.530 10.642 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.806 10.362 11.246 1.00 3.96 N ATOM 1415 NH2 ARG A 92 8.824 12.652 11.318 1.00 4.39 N ATOM 0 H ARG A 92 2.937 9.822 7.922 1.00 0.93 H new ATOM 0 HA ARG A 92 4.983 10.650 8.371 1.00 1.03 H new ATOM 0 HB2 ARG A 92 5.521 8.000 8.750 1.00 1.21 H new ATOM 0 HB3 ARG A 92 6.575 8.340 7.391 1.00 1.21 H new ATOM 0 HG2 ARG A 92 6.565 9.864 10.022 1.00 1.04 H new ATOM 0 HG3 ARG A 92 7.704 8.606 9.587 1.00 1.04 H new ATOM 0 HD2 ARG A 92 8.906 9.969 8.221 1.00 1.71 H new ATOM 0 HD3 ARG A 92 7.482 10.767 7.584 1.00 1.71 H new ATOM 0 HE ARG A 92 8.105 12.517 8.952 1.00 2.57 H new ATOM 0 HH11 ARG A 92 8.653 9.493 10.735 1.00 3.96 H new ATOM 0 HH12 ARG A 92 9.104 10.334 12.221 1.00 3.96 H new ATOM 0 HH21 ARG A 92 8.685 13.554 10.863 1.00 4.39 H new ATOM 0 HH22 ARG A 92 9.122 12.613 12.293 1.00 4.39 H new ATOM 1429 N THR A 93 6.591 9.863 5.817 1.00 0.94 N ATOM 1430 CA THR A 93 7.100 10.300 4.519 1.00 0.91 C ATOM 1431 C THR A 93 6.813 9.258 3.438 1.00 0.83 C ATOM 1432 O THR A 93 6.403 9.595 2.325 1.00 1.08 O ATOM 1433 CB THR A 93 8.606 10.548 4.597 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.292 9.362 4.956 1.00 1.52 O ATOM 1435 CG2 THR A 93 8.990 11.618 5.594 1.00 1.47 C ATOM 0 H THR A 93 7.182 9.181 6.293 1.00 0.94 H new ATOM 0 HA THR A 93 6.591 11.227 4.256 1.00 0.91 H new ATOM 0 HB THR A 93 8.892 10.886 3.601 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.510 9.387 5.911 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.073 11.741 5.597 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.518 12.560 5.316 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.656 11.325 6.589 1.00 1.47 H new ATOM 1443 N LEU A 94 7.042 7.993 3.775 1.00 0.68 N ATOM 1444 CA LEU A 94 6.824 6.888 2.848 1.00 0.64 C ATOM 1445 C LEU A 94 6.589 5.591 3.615 1.00 0.56 C ATOM 1446 O LEU A 94 7.127 5.400 4.706 1.00 0.71 O ATOM 1447 CB LEU A 94 8.028 6.731 1.917 1.00 0.72 C ATOM 1448 CG LEU A 94 7.949 5.557 0.941 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.776 5.729 -0.009 1.00 1.44 C ATOM 1450 CD2 LEU A 94 9.250 5.422 0.166 1.00 1.87 C ATOM 0 H LEU A 94 7.382 7.706 4.693 1.00 0.68 H new ATOM 0 HA LEU A 94 5.940 7.109 2.249 1.00 0.64 H new ATOM 0 HB2 LEU A 94 8.146 7.651 1.345 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.925 6.617 2.526 1.00 0.72 H new ATOM 0 HG LEU A 94 7.793 4.643 1.514 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.737 4.883 -0.696 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.849 5.776 0.562 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.899 6.652 -0.576 1.00 1.44 H new ATOM 0 HD21 LEU A 94 9.177 4.582 -0.524 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.436 6.338 -0.395 1.00 1.87 H new ATOM 0 HD23 LEU A 94 10.072 5.250 0.861 1.00 1.87 H new ATOM 1462 N ASP A 95 5.785 4.708 3.038 1.00 0.52 N ATOM 1463 CA ASP A 95 5.475 3.429 3.667 1.00 0.53 C ATOM 1464 C ASP A 95 4.729 2.521 2.700 1.00 0.46 C ATOM 1465 O ASP A 95 3.500 2.527 2.662 1.00 0.59 O ATOM 1466 CB ASP A 95 4.642 3.643 4.931 1.00 0.73 C ATOM 1467 CG ASP A 95 4.293 2.338 5.619 1.00 1.16 C ATOM 1468 OD1 ASP A 95 5.225 1.611 6.020 1.00 1.72 O ATOM 1469 OD2 ASP A 95 3.087 2.044 5.757 1.00 1.64 O ATOM 0 H ASP A 95 5.335 4.853 2.134 1.00 0.52 H new ATOM 0 HA ASP A 95 6.415 2.949 3.941 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.193 4.280 5.623 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.724 4.172 4.673 1.00 0.73 H new ATOM 1474 N LEU A 96 5.468 1.742 1.922 1.00 0.38 N ATOM 1475 CA LEU A 96 4.854 0.838 0.961 1.00 0.36 C ATOM 1476 C LEU A 96 5.085 -0.620 1.360 1.00 0.40 C ATOM 1477 O LEU A 96 6.173 -1.165 1.176 1.00 0.53 O ATOM 1478 CB LEU A 96 5.379 1.115 -0.456 1.00 0.43 C ATOM 1479 CG LEU A 96 6.880 0.919 -0.667 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.189 0.872 -2.152 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.674 2.033 0.000 1.00 0.89 C ATOM 0 H LEU A 96 6.488 1.718 1.937 1.00 0.38 H new ATOM 0 HA LEU A 96 3.779 1.017 0.962 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.847 0.466 -1.152 1.00 0.43 H new ATOM 0 HB3 LEU A 96 5.126 2.142 -0.721 1.00 0.43 H new ATOM 0 HG LEU A 96 7.173 -0.026 -0.209 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.260 0.732 -2.296 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.650 0.043 -2.610 1.00 0.97 H new ATOM 0 HD13 LEU A 96 6.879 1.807 -2.618 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.739 1.870 -0.165 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.383 2.993 -0.427 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.469 2.035 1.071 1.00 0.89 H new ATOM 1493 N ASP A 97 4.049 -1.238 1.917 1.00 0.38 N ATOM 1494 CA ASP A 97 4.127 -2.630 2.357 1.00 0.44 C ATOM 1495 C ASP A 97 3.047 -3.477 1.698 1.00 0.39 C ATOM 1496 O ASP A 97 2.004 -2.967 1.291 1.00 0.40 O ATOM 1497 CB ASP A 97 3.968 -2.722 3.876 1.00 0.55 C ATOM 1498 CG ASP A 97 2.644 -2.161 4.353 1.00 1.14 C ATOM 1499 OD1 ASP A 97 2.384 -0.964 4.114 1.00 1.45 O ATOM 1500 OD2 ASP A 97 1.863 -2.921 4.966 1.00 1.93 O ATOM 0 H ASP A 97 3.143 -0.797 2.076 1.00 0.38 H new ATOM 0 HA ASP A 97 5.106 -3.009 2.064 1.00 0.44 H new ATOM 0 HB2 ASP A 97 4.050 -3.764 4.185 1.00 0.55 H new ATOM 0 HB3 ASP A 97 4.783 -2.182 4.357 1.00 0.55 H new ATOM 1505 N ILE A 98 3.298 -4.781 1.620 1.00 0.39 N ATOM 1506 CA ILE A 98 2.336 -5.704 1.037 1.00 0.36 C ATOM 1507 C ILE A 98 1.076 -5.770 1.897 1.00 0.35 C ATOM 1508 O ILE A 98 1.155 -5.903 3.118 1.00 0.53 O ATOM 1509 CB ILE A 98 2.935 -7.122 0.870 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.846 -7.184 -0.358 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.835 -8.170 0.765 1.00 0.44 C ATOM 1512 CD1 ILE A 98 3.205 -6.660 -1.627 1.00 1.20 C ATOM 0 H ILE A 98 4.157 -5.219 1.953 1.00 0.39 H new ATOM 0 HA ILE A 98 2.078 -5.328 0.047 1.00 0.36 H new ATOM 0 HB ILE A 98 3.531 -7.339 1.756 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.750 -6.610 -0.156 1.00 0.48 H new ATOM 0 HG13 ILE A 98 4.153 -8.217 -0.518 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.283 -9.157 0.648 1.00 0.44 H new ATOM 0 HG22 ILE A 98 1.227 -8.152 1.670 1.00 0.44 H new ATOM 0 HG23 ILE A 98 1.206 -7.952 -0.098 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.914 -6.738 -2.451 1.00 1.20 H new ATOM 0 HD12 ILE A 98 2.316 -7.248 -1.856 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.923 -5.616 -1.488 1.00 1.20 H new ATOM 1524 N MET A 99 -0.081 -5.664 1.254 1.00 0.32 N ATOM 1525 CA MET A 99 -1.355 -5.707 1.964 1.00 0.36 C ATOM 1526 C MET A 99 -2.271 -6.767 1.380 1.00 0.33 C ATOM 1527 O MET A 99 -3.270 -7.141 1.989 1.00 0.37 O ATOM 1528 CB MET A 99 -2.059 -4.355 1.891 1.00 0.43 C ATOM 1529 CG MET A 99 -1.205 -3.183 2.334 1.00 0.68 C ATOM 1530 SD MET A 99 -2.156 -1.658 2.447 1.00 1.56 S ATOM 1531 CE MET A 99 -2.975 -1.650 0.852 1.00 2.37 C ATOM 0 H MET A 99 -0.164 -5.548 0.244 1.00 0.32 H new ATOM 0 HA MET A 99 -1.138 -5.952 3.004 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.387 -4.184 0.866 1.00 0.43 H new ATOM 0 HB3 MET A 99 -2.955 -4.391 2.510 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.760 -3.405 3.304 1.00 0.68 H new ATOM 0 HG3 MET A 99 -0.384 -3.047 1.630 1.00 0.68 H new ATOM 0 HE1 MET A 99 -3.444 -0.680 0.689 1.00 2.37 H new ATOM 0 HE2 MET A 99 -2.243 -1.836 0.066 1.00 2.37 H new ATOM 0 HE3 MET A 99 -3.736 -2.430 0.830 1.00 2.37 H new ATOM 1541 N LEU A 100 -1.939 -7.234 0.183 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.750 -8.241 -0.488 1.00 0.30 C ATOM 1543 C LEU A 100 -1.969 -8.920 -1.600 1.00 0.31 C ATOM 1544 O LEU A 100 -1.791 -8.358 -2.678 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.026 -7.599 -1.048 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.279 -7.801 -0.191 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.484 -7.134 -0.831 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.543 -9.284 0.026 1.00 0.43 C ATOM 0 H LEU A 100 -1.117 -6.933 -0.341 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.025 -9.002 0.243 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -3.854 -6.529 -1.168 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.214 -8.005 -2.042 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.107 -7.334 0.779 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.362 -7.291 -0.205 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.297 -6.065 -0.933 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.659 -7.567 -1.816 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.437 -9.409 0.637 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.691 -9.772 -0.937 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.690 -9.735 0.534 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.499 -10.134 -1.339 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.740 -10.867 -2.338 1.00 0.36 C ATOM 1562 C PHE A 101 -1.638 -11.852 -3.081 1.00 0.38 C ATOM 1563 O PHE A 101 -2.835 -11.948 -2.807 1.00 0.88 O ATOM 1564 CB PHE A 101 0.445 -11.595 -1.704 1.00 0.46 C ATOM 1565 CG PHE A 101 1.731 -11.358 -2.439 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.347 -10.119 -2.399 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.321 -12.371 -3.176 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.526 -9.893 -3.080 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.501 -12.153 -3.861 1.00 1.59 C ATOM 1570 CZ PHE A 101 4.104 -10.911 -3.814 1.00 1.75 C ATOM 0 H PHE A 101 -1.629 -10.625 -0.454 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.348 -10.147 -3.056 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.556 -11.267 -0.670 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.238 -12.665 -1.679 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.899 -9.319 -1.828 1.00 1.13 H new ATOM 0 HD2 PHE A 101 1.853 -13.344 -3.216 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.996 -8.922 -3.039 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.951 -12.952 -4.432 1.00 1.59 H new ATOM 0 HZ PHE A 101 5.025 -10.736 -4.350 1.00 1.75 H new ATOM 1580 N GLY A 102 -1.053 -12.559 -4.040 1.00 0.58 N ATOM 1581 CA GLY A 102 -1.809 -13.508 -4.840 1.00 0.60 C ATOM 1582 C GLY A 102 -2.294 -14.733 -4.077 1.00 0.73 C ATOM 1583 O GLY A 102 -1.667 -15.792 -4.137 1.00 1.49 O ATOM 0 H GLY A 102 -0.064 -12.493 -4.280 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -2.672 -12.997 -5.268 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.188 -13.837 -5.673 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.432 -14.599 -3.394 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.036 -15.712 -2.654 1.00 0.58 C ATOM 1589 C ASN A 103 -3.099 -16.311 -1.603 1.00 0.52 C ATOM 1590 O ASN A 103 -3.450 -17.296 -0.951 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.455 -16.806 -3.638 1.00 0.76 C ATOM 1592 CG ASN A 103 -5.095 -17.995 -2.953 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -6.243 -17.933 -2.512 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -4.336 -19.078 -2.834 1.00 0.90 N ATOM 0 H ASN A 103 -3.957 -13.727 -3.337 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.900 -15.312 -2.123 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.155 -16.389 -4.362 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -3.581 -17.141 -4.196 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -4.699 -19.906 -2.361 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -3.390 -19.082 -3.216 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.914 -15.741 -1.430 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.985 -16.267 -0.458 1.00 0.42 C ATOM 1603 C GLU A 104 -0.999 -15.468 0.824 1.00 0.42 C ATOM 1604 O GLU A 104 -0.905 -14.241 0.822 1.00 0.58 O ATOM 1605 CB GLU A 104 0.408 -16.332 -1.041 1.00 0.51 C ATOM 1606 CG GLU A 104 0.723 -15.219 -2.021 1.00 0.56 C ATOM 1607 CD GLU A 104 1.599 -15.685 -3.166 1.00 1.57 C ATOM 1608 OE1 GLU A 104 2.684 -16.241 -2.894 1.00 2.29 O ATOM 1609 OE2 GLU A 104 1.204 -15.491 -4.334 1.00 2.14 O ATOM 0 H GLU A 104 -1.583 -14.926 -1.946 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.305 -17.279 -0.208 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.132 -16.300 -0.227 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.535 -17.291 -1.544 1.00 0.51 H new ATOM 0 HG2 GLU A 104 -0.208 -14.817 -2.420 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.222 -14.406 -1.494 1.00 0.56 H new ATOM 1616 N VAL A 105 -1.125 -16.195 1.916 1.00 0.50 N ATOM 1617 CA VAL A 105 -1.169 -15.608 3.234 1.00 0.56 C ATOM 1618 C VAL A 105 0.016 -16.085 4.064 1.00 0.61 C ATOM 1619 O VAL A 105 -0.083 -17.059 4.812 1.00 0.72 O ATOM 1620 CB VAL A 105 -2.484 -15.989 3.926 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -2.495 -15.537 5.381 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.666 -15.401 3.172 1.00 0.67 C ATOM 0 H VAL A 105 -1.200 -17.212 1.911 1.00 0.50 H new ATOM 0 HA VAL A 105 -1.114 -14.523 3.141 1.00 0.56 H new ATOM 0 HB VAL A 105 -2.569 -17.076 3.917 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -3.440 -15.822 5.843 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -1.672 -16.011 5.916 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -2.381 -14.454 5.426 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.593 -15.679 3.674 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.578 -14.315 3.148 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.676 -15.787 2.153 1.00 0.67 H new ATOM 1632 N ILE A 106 1.138 -15.393 3.923 1.00 0.58 N ATOM 1633 CA ILE A 106 2.341 -15.743 4.657 1.00 0.64 C ATOM 1634 C ILE A 106 2.958 -14.512 5.300 1.00 0.61 C ATOM 1635 O ILE A 106 3.616 -13.711 4.639 1.00 0.57 O ATOM 1636 CB ILE A 106 3.387 -16.419 3.744 1.00 0.74 C ATOM 1637 CG1 ILE A 106 2.784 -17.656 3.070 1.00 0.76 C ATOM 1638 CG2 ILE A 106 4.626 -16.794 4.547 1.00 1.31 C ATOM 1639 CD1 ILE A 106 3.719 -18.330 2.086 1.00 1.45 C ATOM 0 H ILE A 106 1.238 -14.586 3.307 1.00 0.58 H new ATOM 0 HA ILE A 106 2.047 -16.450 5.433 1.00 0.64 H new ATOM 0 HB ILE A 106 3.682 -15.714 2.967 1.00 0.74 H new ATOM 0 HG12 ILE A 106 2.499 -18.375 3.838 1.00 0.76 H new ATOM 0 HG13 ILE A 106 1.871 -17.367 2.550 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.355 -17.270 3.891 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.063 -15.896 4.983 1.00 1.31 H new ATOM 0 HG23 ILE A 106 4.348 -17.486 5.342 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.224 -19.197 1.649 1.00 1.45 H new ATOM 0 HD12 ILE A 106 3.984 -17.627 1.296 1.00 1.45 H new ATOM 0 HD13 ILE A 106 4.623 -18.651 2.604 1.00 1.45 H new ATOM 1651 N ASN A 107 2.737 -14.376 6.594 1.00 0.84 N ATOM 1652 CA ASN A 107 3.263 -13.251 7.349 1.00 0.90 C ATOM 1653 C ASN A 107 4.563 -13.648 8.035 1.00 0.91 C ATOM 1654 O ASN A 107 4.557 -14.408 9.004 1.00 1.02 O ATOM 1655 CB ASN A 107 2.241 -12.801 8.392 1.00 1.09 C ATOM 1656 CG ASN A 107 0.817 -12.939 7.896 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.290 -14.047 7.787 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.195 -11.818 7.565 1.00 1.21 N ATOM 0 H ASN A 107 2.192 -15.036 7.149 1.00 0.84 H new ATOM 0 HA ASN A 107 3.460 -12.426 6.665 1.00 0.90 H new ATOM 0 HB2 ASN A 107 2.366 -13.392 9.299 1.00 1.09 H new ATOM 0 HB3 ASN A 107 2.431 -11.762 8.660 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.758 -11.851 7.204 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.669 -10.921 7.671 1.00 1.21 H new ATOM 1665 N THR A 108 5.678 -13.140 7.526 1.00 0.86 N ATOM 1666 CA THR A 108 6.982 -13.461 8.102 1.00 0.89 C ATOM 1667 C THR A 108 7.491 -12.322 8.979 1.00 0.91 C ATOM 1668 O THR A 108 6.705 -11.544 9.520 1.00 1.16 O ATOM 1669 CB THR A 108 8.002 -13.775 7.006 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.369 -12.599 6.311 1.00 1.07 O ATOM 1671 CG2 THR A 108 7.496 -14.769 5.983 1.00 0.92 C ATOM 0 H THR A 108 5.709 -12.510 6.724 1.00 0.86 H new ATOM 0 HA THR A 108 6.856 -14.347 8.725 1.00 0.89 H new ATOM 0 HB THR A 108 8.855 -14.212 7.525 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.023 -12.821 5.616 1.00 1.07 H new ATOM 0 HG21 THR A 108 8.269 -14.946 5.235 1.00 0.92 H new ATOM 0 HG22 THR A 108 7.249 -15.708 6.479 1.00 0.92 H new ATOM 0 HG23 THR A 108 6.606 -14.370 5.497 1.00 0.92 H new ATOM 1679 N GLU A 109 8.811 -12.233 9.115 1.00 0.83 N ATOM 1680 CA GLU A 109 9.433 -11.190 9.926 1.00 0.86 C ATOM 1681 C GLU A 109 8.987 -9.809 9.465 1.00 0.73 C ATOM 1682 O GLU A 109 8.237 -9.123 10.161 1.00 0.87 O ATOM 1683 CB GLU A 109 10.956 -11.300 9.851 1.00 0.95 C ATOM 1684 CG GLU A 109 11.497 -12.647 10.309 1.00 1.22 C ATOM 1685 CD GLU A 109 11.247 -12.916 11.783 1.00 1.93 C ATOM 1686 OE1 GLU A 109 10.692 -12.030 12.467 1.00 2.60 O ATOM 1687 OE2 GLU A 109 11.611 -14.015 12.253 1.00 2.37 O ATOM 0 H GLU A 109 9.472 -12.872 8.673 1.00 0.83 H new ATOM 0 HA GLU A 109 9.117 -11.328 10.960 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.274 -11.121 8.824 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.398 -10.514 10.463 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.036 -13.438 9.718 1.00 1.22 H new ATOM 0 HG3 GLU A 109 12.569 -12.687 10.114 1.00 1.22 H new ATOM 1694 N ARG A 110 9.449 -9.406 8.287 1.00 0.63 N ATOM 1695 CA ARG A 110 9.090 -8.108 7.732 1.00 0.64 C ATOM 1696 C ARG A 110 7.920 -8.243 6.767 1.00 0.66 C ATOM 1697 O ARG A 110 7.104 -7.332 6.636 1.00 0.77 O ATOM 1698 CB ARG A 110 10.287 -7.472 7.027 1.00 0.63 C ATOM 1699 CG ARG A 110 11.492 -7.284 7.934 1.00 0.86 C ATOM 1700 CD ARG A 110 12.679 -6.700 7.184 1.00 1.64 C ATOM 1701 NE ARG A 110 13.201 -7.624 6.181 1.00 2.22 N ATOM 1702 CZ ARG A 110 14.233 -7.351 5.390 1.00 2.77 C ATOM 1703 NH1 ARG A 110 14.855 -6.183 5.484 1.00 3.01 N ATOM 1704 NH2 ARG A 110 14.647 -8.246 4.503 1.00 3.68 N ATOM 0 H ARG A 110 10.072 -9.959 7.699 1.00 0.63 H new ATOM 0 HA ARG A 110 8.789 -7.459 8.554 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.573 -8.095 6.180 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.990 -6.504 6.625 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.225 -6.626 8.761 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.773 -8.243 8.368 1.00 0.86 H new ATOM 0 HD2 ARG A 110 12.380 -5.770 6.700 1.00 1.64 H new ATOM 0 HD3 ARG A 110 13.469 -6.451 7.893 1.00 1.64 H new ATOM 0 HE ARG A 110 12.747 -8.532 6.082 1.00 2.22 H new ATOM 0 HH11 ARG A 110 14.541 -5.491 6.165 1.00 3.01 H new ATOM 0 HH12 ARG A 110 15.647 -5.977 4.875 1.00 3.01 H new ATOM 0 HH21 ARG A 110 14.173 -9.146 4.427 1.00 3.68 H new ATOM 0 HH22 ARG A 110 15.439 -8.034 3.897 1.00 3.68 H new ATOM 1718 N LEU A 111 7.833 -9.392 6.099 1.00 0.62 N ATOM 1719 CA LEU A 111 6.747 -9.636 5.159 1.00 0.63 C ATOM 1720 C LEU A 111 5.414 -9.723 5.881 1.00 0.56 C ATOM 1721 O LEU A 111 5.277 -10.417 6.888 1.00 0.66 O ATOM 1722 CB LEU A 111 6.970 -10.929 4.358 1.00 0.73 C ATOM 1723 CG LEU A 111 5.687 -11.581 3.814 1.00 0.94 C ATOM 1724 CD1 LEU A 111 4.944 -10.635 2.883 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.994 -12.886 3.101 1.00 1.64 C ATOM 0 H LEU A 111 8.497 -10.161 6.192 1.00 0.62 H new ATOM 0 HA LEU A 111 6.732 -8.793 4.468 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.633 -10.711 3.521 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.485 -11.649 4.994 1.00 0.73 H new ATOM 0 HG LEU A 111 5.045 -11.799 4.667 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.042 -11.122 2.514 1.00 1.15 H new ATOM 0 HD12 LEU A 111 4.672 -9.730 3.426 1.00 1.15 H new ATOM 0 HD13 LEU A 111 5.586 -10.374 2.041 1.00 1.15 H new ATOM 0 HD21 LEU A 111 5.068 -13.323 2.728 1.00 1.64 H new ATOM 0 HD22 LEU A 111 6.668 -12.695 2.266 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.467 -13.578 3.797 1.00 1.64 H new ATOM 1737 N THR A 112 4.432 -9.031 5.333 1.00 0.46 N ATOM 1738 CA THR A 112 3.096 -9.033 5.880 1.00 0.42 C ATOM 1739 C THR A 112 2.075 -9.121 4.760 1.00 0.39 C ATOM 1740 O THR A 112 1.926 -8.189 3.970 1.00 0.43 O ATOM 1741 CB THR A 112 2.846 -7.769 6.702 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.357 -6.627 6.039 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.450 -7.817 8.088 1.00 0.68 C ATOM 0 H THR A 112 4.542 -8.455 4.499 1.00 0.46 H new ATOM 0 HA THR A 112 2.995 -9.901 6.532 1.00 0.42 H new ATOM 0 HB THR A 112 1.763 -7.708 6.807 1.00 0.45 H new ATOM 0 HG1 THR A 112 3.107 -6.659 5.092 1.00 0.65 H new ATOM 0 HG21 THR A 112 3.232 -6.887 8.612 1.00 0.68 H new ATOM 0 HG22 THR A 112 3.024 -8.654 8.642 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.530 -7.945 8.010 1.00 0.68 H new ATOM 1751 N VAL A 113 1.355 -10.231 4.707 1.00 0.36 N ATOM 1752 CA VAL A 113 0.329 -10.405 3.698 1.00 0.38 C ATOM 1753 C VAL A 113 -0.939 -9.739 4.227 1.00 0.32 C ATOM 1754 O VAL A 113 -0.859 -9.122 5.285 1.00 0.30 O ATOM 1755 CB VAL A 113 0.098 -11.899 3.375 1.00 0.45 C ATOM 1756 CG1 VAL A 113 1.205 -12.427 2.489 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -0.012 -12.721 4.642 1.00 1.18 C ATOM 0 H VAL A 113 1.463 -11.018 5.347 1.00 0.36 H new ATOM 0 HA VAL A 113 0.635 -9.943 2.759 1.00 0.38 H new ATOM 0 HB VAL A 113 -0.846 -11.986 2.838 1.00 0.45 H new ATOM 0 HG11 VAL A 113 1.026 -13.480 2.272 1.00 1.52 H new ATOM 0 HG12 VAL A 113 1.225 -11.863 1.557 1.00 1.52 H new ATOM 0 HG13 VAL A 113 2.162 -12.319 2.999 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.174 -13.767 4.384 1.00 1.18 H new ATOM 0 HG22 VAL A 113 0.909 -12.628 5.217 1.00 1.18 H new ATOM 0 HG23 VAL A 113 -0.850 -12.360 5.238 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.116 -9.827 3.547 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.345 -9.211 4.015 1.00 0.36 C ATOM 1769 C PRO A 114 -3.270 -8.824 5.491 1.00 0.33 C ATOM 1770 O PRO A 114 -3.581 -9.618 6.380 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.342 -10.334 3.740 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.800 -11.039 2.521 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.390 -10.527 2.292 1.00 0.42 C ATOM 0 HA PRO A 114 -3.597 -8.267 3.532 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.417 -11.013 4.589 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.342 -9.940 3.557 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.797 -12.119 2.671 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.427 -10.840 1.652 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.684 -11.339 2.115 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -2.332 -9.861 1.431 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.799 -7.598 5.725 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.603 -7.068 7.063 1.00 0.33 C ATOM 1783 C HIS A 115 -3.904 -6.527 7.626 1.00 0.34 C ATOM 1784 O HIS A 115 -4.528 -5.653 7.024 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.560 -5.947 6.995 1.00 0.39 C ATOM 1786 CG HIS A 115 -0.947 -5.574 8.310 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -1.684 -5.356 9.453 1.00 0.97 N ATOM 1788 CD2 HIS A 115 0.347 -5.353 8.646 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -0.870 -5.017 10.439 1.00 0.87 C ATOM 1790 NE2 HIS A 115 0.367 -5.010 9.976 1.00 0.67 N ATOM 0 H HIS A 115 -2.543 -6.946 4.983 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.258 -7.867 7.720 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.765 -6.251 6.314 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.028 -5.061 6.565 1.00 0.39 H new ATOM 0 HD2 HIS A 115 1.202 -5.432 7.991 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -1.167 -4.785 11.451 1.00 0.87 H new ATOM 0 HE2 HIS A 115 1.202 -4.786 10.518 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.300 -7.030 8.788 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.522 -6.559 9.424 1.00 0.42 C ATOM 1801 C TYR A 116 -5.404 -5.066 9.701 1.00 0.43 C ATOM 1802 O TYR A 116 -4.914 -4.648 10.750 1.00 0.49 O ATOM 1803 CB TYR A 116 -5.806 -7.336 10.719 1.00 0.52 C ATOM 1804 CG TYR A 116 -4.569 -7.821 11.458 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -3.460 -6.994 11.591 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.503 -9.094 12.018 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.325 -7.418 12.256 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.372 -9.524 12.685 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.323 -8.741 12.825 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.157 -9.107 13.464 1.00 2.22 O ATOM 0 H TYR A 116 -3.800 -7.755 9.303 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.361 -6.732 8.750 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.385 -6.699 11.388 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.430 -8.197 10.480 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -3.486 -6.001 11.167 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.351 -9.757 11.929 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -1.463 -6.774 12.347 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.348 -10.521 13.099 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.249 -10.016 13.818 1.00 2.22 H new ATOM 1820 N ASP A 117 -5.834 -4.264 8.729 1.00 0.42 N ATOM 1821 CA ASP A 117 -5.749 -2.816 8.841 1.00 0.50 C ATOM 1822 C ASP A 117 -6.419 -2.145 7.648 1.00 0.52 C ATOM 1823 O ASP A 117 -7.326 -1.325 7.801 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.277 -2.401 8.876 1.00 0.52 C ATOM 1825 CG ASP A 117 -4.078 -1.020 9.468 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -4.628 -0.049 8.906 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -3.369 -0.907 10.490 1.00 0.87 O ATOM 0 H ASP A 117 -6.244 -4.596 7.856 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.256 -2.506 9.755 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -3.712 -3.128 9.459 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -3.873 -2.421 7.864 1.00 0.52 H new ATOM 1832 N MET A 118 -5.942 -2.502 6.461 1.00 0.38 N ATOM 1833 CA MET A 118 -6.452 -1.954 5.208 1.00 0.39 C ATOM 1834 C MET A 118 -7.963 -2.088 5.099 1.00 0.38 C ATOM 1835 O MET A 118 -8.647 -1.190 4.614 1.00 0.45 O ATOM 1836 CB MET A 118 -5.799 -2.679 4.033 1.00 0.44 C ATOM 1837 CG MET A 118 -5.987 -4.188 4.067 1.00 0.48 C ATOM 1838 SD MET A 118 -5.403 -4.997 2.568 1.00 1.29 S ATOM 1839 CE MET A 118 -6.496 -4.269 1.352 1.00 2.05 C ATOM 0 H MET A 118 -5.190 -3.180 6.339 1.00 0.38 H new ATOM 0 HA MET A 118 -6.207 -0.892 5.188 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.213 -2.291 3.102 1.00 0.44 H new ATOM 0 HB3 MET A 118 -4.732 -2.454 4.026 1.00 0.44 H new ATOM 0 HG2 MET A 118 -5.455 -4.597 4.926 1.00 0.48 H new ATOM 0 HG3 MET A 118 -7.044 -4.415 4.209 1.00 0.48 H new ATOM 0 HE1 MET A 118 -6.438 -4.837 0.424 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.520 -4.288 1.725 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.197 -3.238 1.165 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.462 -3.226 5.540 1.00 0.40 N ATOM 1850 CA LYS A 119 -9.886 -3.531 5.485 1.00 0.47 C ATOM 1851 C LYS A 119 -10.679 -2.720 6.505 1.00 0.50 C ATOM 1852 O LYS A 119 -11.863 -2.969 6.726 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.080 -5.021 5.716 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.278 -5.545 6.893 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.453 -7.047 7.089 1.00 0.80 C ATOM 1856 CE LYS A 119 -8.834 -7.853 5.955 1.00 1.02 C ATOM 1857 NZ LYS A 119 -9.573 -7.683 4.672 1.00 1.93 N ATOM 0 H LYS A 119 -7.894 -3.969 5.948 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.264 -3.257 4.500 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.138 -5.223 5.885 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -9.792 -5.564 4.816 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.222 -5.321 6.739 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -9.585 -5.024 7.800 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -8.997 -7.344 8.034 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -10.515 -7.281 7.160 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -7.797 -7.546 5.818 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -8.821 -8.908 6.227 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -9.616 -8.594 4.173 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -10.538 -7.350 4.869 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -9.081 -6.986 4.078 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.020 -1.743 7.108 1.00 0.49 N ATOM 1872 CA ASN A 120 -10.654 -0.878 8.090 1.00 0.52 C ATOM 1873 C ASN A 120 -10.355 0.573 7.741 1.00 0.56 C ATOM 1874 O ASN A 120 -10.339 1.450 8.604 1.00 0.74 O ATOM 1875 CB ASN A 120 -10.133 -1.198 9.492 1.00 0.53 C ATOM 1876 CG ASN A 120 -10.192 -2.678 9.807 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -11.247 -3.304 9.728 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -9.049 -3.238 10.178 1.00 1.30 N ATOM 0 H ASN A 120 -9.038 -1.528 6.932 1.00 0.49 H new ATOM 0 HA ASN A 120 -11.731 -1.043 8.077 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.104 -0.851 9.582 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -10.720 -0.649 10.229 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -9.020 -4.230 10.413 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -8.199 -2.677 10.229 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.092 0.807 6.454 1.00 0.49 N ATOM 1886 CA ARG A 121 -9.760 2.136 5.955 1.00 0.58 C ATOM 1887 C ARG A 121 -10.323 2.347 4.549 1.00 0.63 C ATOM 1888 O ARG A 121 -11.034 1.491 4.025 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.239 2.308 5.935 1.00 0.64 C ATOM 1890 CG ARG A 121 -7.574 2.008 7.270 1.00 0.91 C ATOM 1891 CD ARG A 121 -7.859 3.095 8.295 1.00 1.24 C ATOM 1892 NE ARG A 121 -7.299 2.780 9.608 1.00 1.84 N ATOM 1893 CZ ARG A 121 -5.998 2.630 9.844 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -5.119 2.765 8.860 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -5.572 2.344 11.067 1.00 3.50 N ATOM 0 H ARG A 121 -10.104 0.084 5.735 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.206 2.878 6.617 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -7.818 1.652 5.173 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.001 3.331 5.642 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -7.930 1.049 7.647 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -6.497 1.915 7.128 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.445 4.040 7.943 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -8.937 3.232 8.385 1.00 1.24 H new ATOM 0 HE ARG A 121 -7.944 2.668 10.390 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -5.439 2.985 7.917 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -4.123 2.649 9.046 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -6.242 2.239 11.829 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -4.574 2.229 11.246 1.00 3.50 H new ATOM 1909 N GLY A 122 -9.997 3.489 3.944 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.477 3.781 2.605 1.00 0.61 C ATOM 1911 C GLY A 122 -9.363 4.165 1.664 1.00 0.56 C ATOM 1912 O GLY A 122 -9.605 4.456 0.495 1.00 0.70 O ATOM 0 H GLY A 122 -9.411 4.214 4.357 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -10.997 2.908 2.210 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.204 4.591 2.652 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.136 4.148 2.164 1.00 0.52 N ATOM 1917 CA PHE A 123 -6.985 4.477 1.344 1.00 0.58 C ATOM 1918 C PHE A 123 -6.265 3.203 0.917 1.00 0.42 C ATOM 1919 O PHE A 123 -5.579 3.176 -0.098 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.046 5.449 2.072 1.00 0.84 C ATOM 1921 CG PHE A 123 -5.846 5.155 3.531 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -5.250 3.969 3.933 1.00 1.62 C ATOM 1923 CD2 PHE A 123 -6.262 6.047 4.502 1.00 2.11 C ATOM 1924 CE1 PHE A 123 -5.073 3.683 5.271 1.00 2.59 C ATOM 1925 CE2 PHE A 123 -6.087 5.770 5.845 1.00 3.16 C ATOM 1926 CZ PHE A 123 -5.460 4.640 6.236 1.00 3.31 C ATOM 0 H PHE A 123 -7.915 3.910 3.131 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.330 4.986 0.444 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.075 5.435 1.576 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.441 6.460 1.970 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.920 3.260 3.188 1.00 1.62 H new ATOM 0 HD2 PHE A 123 -6.731 6.974 4.207 1.00 2.11 H new ATOM 0 HE1 PHE A 123 -4.644 2.740 5.577 1.00 2.59 H new ATOM 0 HE2 PHE A 123 -6.455 6.463 6.587 1.00 3.16 H new ATOM 0 HZ PHE A 123 -5.255 4.468 7.282 1.00 3.31 H new ATOM 1936 N MET A 124 -6.449 2.138 1.687 1.00 0.37 N ATOM 1937 CA MET A 124 -5.851 0.851 1.359 1.00 0.38 C ATOM 1938 C MET A 124 -6.806 0.011 0.509 1.00 0.38 C ATOM 1939 O MET A 124 -6.381 -0.760 -0.352 1.00 0.57 O ATOM 1940 CB MET A 124 -5.454 0.100 2.634 1.00 0.50 C ATOM 1941 CG MET A 124 -4.350 0.799 3.418 1.00 0.90 C ATOM 1942 SD MET A 124 -3.837 -0.109 4.890 1.00 1.99 S ATOM 1943 CE MET A 124 -2.581 0.987 5.547 1.00 2.44 C ATOM 0 H MET A 124 -7.006 2.140 2.541 1.00 0.37 H new ATOM 0 HA MET A 124 -4.948 1.032 0.775 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.331 -0.010 3.272 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.124 -0.905 2.369 1.00 0.50 H new ATOM 0 HG2 MET A 124 -3.487 0.942 2.768 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.695 1.790 3.713 1.00 0.90 H new ATOM 0 HE1 MET A 124 -1.745 0.398 5.924 1.00 2.44 H new ATOM 0 HE2 MET A 124 -2.230 1.652 4.758 1.00 2.44 H new ATOM 0 HE3 MET A 124 -3.003 1.579 6.359 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.103 0.160 0.777 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.147 -0.583 0.067 1.00 0.41 C ATOM 1955 C LEU A 125 -9.534 0.059 -1.265 1.00 0.34 C ATOM 1956 O LEU A 125 -9.465 -0.576 -2.317 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.400 -0.677 0.942 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.292 -1.580 2.169 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -11.613 -1.615 2.921 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -9.864 -2.985 1.770 1.00 0.76 C ATOM 0 H LEU A 125 -8.460 0.797 1.490 1.00 0.37 H new ATOM 0 HA LEU A 125 -8.738 -1.571 -0.144 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -10.662 0.327 1.276 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.225 -1.033 0.325 1.00 0.53 H new ATOM 0 HG LEU A 125 -9.529 -1.169 2.830 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -11.519 -2.263 3.792 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -11.874 -0.607 3.245 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.395 -2.000 2.266 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -9.794 -3.610 2.660 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -10.599 -3.409 1.086 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -8.892 -2.943 1.278 1.00 0.76 H new ATOM 1972 N TRP A 126 -9.990 1.302 -1.190 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.458 2.045 -2.363 1.00 0.32 C ATOM 1974 C TRP A 126 -9.491 1.957 -3.556 1.00 0.29 C ATOM 1975 O TRP A 126 -9.889 1.511 -4.631 1.00 0.31 O ATOM 1976 CB TRP A 126 -10.725 3.505 -1.980 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.195 4.368 -3.112 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.804 5.649 -3.365 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.147 4.029 -4.129 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.442 6.127 -4.482 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.272 5.152 -4.972 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -12.902 2.888 -4.414 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -13.119 5.165 -6.076 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.743 2.903 -5.511 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.845 4.034 -6.330 1.00 1.93 C ATOM 0 H TRP A 126 -10.048 1.827 -0.318 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.387 1.579 -2.693 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.473 3.529 -1.187 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -9.811 3.933 -1.569 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.095 6.207 -2.772 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.319 7.057 -4.883 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -12.830 2.010 -3.789 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.200 6.036 -6.709 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.332 2.027 -5.740 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.511 4.013 -7.180 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.217 2.382 -3.410 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.245 2.336 -4.515 1.00 0.29 C ATOM 1998 C PRO A 127 -6.972 0.916 -4.994 1.00 0.28 C ATOM 1999 O PRO A 127 -6.920 0.659 -6.196 1.00 0.31 O ATOM 2000 CB PRO A 127 -5.975 2.946 -3.915 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.443 3.715 -2.734 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.618 2.949 -2.192 1.00 0.29 C ATOM 0 HA PRO A 127 -7.614 2.868 -5.392 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.263 2.173 -3.626 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.470 3.592 -4.633 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.655 3.804 -1.987 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -6.731 4.728 -3.015 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.309 2.172 -1.493 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.315 3.597 -1.661 1.00 0.29 H new ATOM 2010 N LEU A 128 -6.801 -0.001 -4.046 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.542 -1.401 -4.369 1.00 0.26 C ATOM 2012 C LEU A 128 -7.693 -1.962 -5.190 1.00 0.27 C ATOM 2013 O LEU A 128 -7.511 -2.825 -6.048 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.403 -2.213 -3.089 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.232 -3.180 -3.034 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -3.913 -2.423 -3.051 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.330 -4.045 -1.788 1.00 0.44 C ATOM 0 H LEU A 128 -6.837 0.200 -3.047 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.617 -1.463 -4.942 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.316 -1.521 -2.252 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.323 -2.779 -2.940 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.269 -3.823 -3.913 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.086 -3.132 -3.011 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -3.843 -1.835 -3.966 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -3.864 -1.759 -2.188 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.487 -4.735 -1.757 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.312 -3.410 -0.902 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.261 -4.611 -1.810 1.00 0.44 H new ATOM 2029 N PHE A 129 -8.882 -1.447 -4.907 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.098 -1.859 -5.599 1.00 0.30 C ATOM 2031 C PHE A 129 -10.003 -1.486 -7.075 1.00 0.30 C ATOM 2032 O PHE A 129 -10.780 -1.950 -7.904 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.312 -1.172 -4.967 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.617 -1.460 -5.659 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.189 -2.719 -5.579 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.271 -0.476 -6.381 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.388 -2.992 -6.210 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.470 -0.743 -7.013 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.026 -1.983 -6.944 1.00 0.58 C ATOM 0 H PHE A 129 -9.032 -0.734 -4.193 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.212 -2.939 -5.510 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.390 -1.484 -3.926 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.145 -0.095 -4.965 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.692 -3.496 -5.017 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.839 0.511 -6.451 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -14.830 -3.975 -6.138 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -14.970 0.038 -7.566 1.00 0.56 H new ATOM 0 HZ PHE A 129 -15.956 -2.189 -7.453 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.045 -0.623 -7.386 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.836 -0.164 -8.749 1.00 0.31 C ATOM 2051 C GLU A 130 -7.617 -0.833 -9.375 1.00 0.29 C ATOM 2052 O GLU A 130 -7.558 -1.003 -10.593 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.670 1.357 -8.776 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.527 1.928 -10.177 1.00 0.93 C ATOM 2055 CD GLU A 130 -8.394 3.440 -10.184 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -8.403 4.040 -9.088 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -8.280 4.023 -11.283 1.00 1.52 O ATOM 0 H GLU A 130 -8.397 -0.225 -6.706 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.713 -0.439 -9.334 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.531 1.817 -8.291 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.792 1.629 -8.190 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.652 1.488 -10.656 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.394 1.641 -10.772 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.640 -1.204 -8.548 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.435 -1.840 -9.064 1.00 0.27 C ATOM 2066 C ILE A 131 -5.754 -3.250 -9.532 1.00 0.27 C ATOM 2067 O ILE A 131 -5.164 -3.748 -10.491 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.321 -1.899 -7.992 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.505 -3.095 -7.038 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.310 -0.602 -7.201 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.330 -3.311 -6.110 1.00 0.59 C ATOM 0 H ILE A 131 -6.660 -1.077 -7.536 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.076 -1.241 -9.901 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.368 -2.032 -8.504 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.405 -2.940 -6.443 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.664 -3.998 -7.627 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.525 -0.643 -6.446 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.121 0.234 -7.875 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.275 -0.465 -6.714 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.527 -4.169 -5.467 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.431 -3.498 -6.698 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.184 -2.423 -5.496 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.727 -3.854 -8.861 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.203 -5.201 -9.182 1.00 0.25 C ATOM 2085 C ALA A 132 -7.957 -5.802 -8.003 1.00 0.23 C ATOM 2086 O ALA A 132 -7.376 -6.508 -7.190 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.052 -6.121 -9.578 1.00 0.30 C ATOM 0 H ALA A 132 -7.213 -3.424 -8.074 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.880 -5.111 -10.032 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.442 -7.112 -9.809 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.547 -5.716 -10.455 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.344 -6.193 -8.753 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.263 -5.531 -7.884 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.072 -6.051 -6.787 1.00 0.31 C ATOM 2095 C PRO A 133 -10.619 -7.443 -7.072 1.00 0.35 C ATOM 2096 O PRO A 133 -11.526 -7.917 -6.386 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.191 -5.031 -6.716 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.426 -4.669 -8.142 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.066 -4.697 -8.801 1.00 0.29 C ATOM 0 HA PRO A 133 -9.509 -6.170 -5.861 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.086 -5.449 -6.256 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -10.904 -4.162 -6.124 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.106 -5.375 -8.618 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.881 -3.682 -8.225 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.112 -5.128 -9.801 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.648 -3.696 -8.905 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.052 -8.097 -8.078 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.471 -9.442 -8.439 1.00 0.37 C ATOM 2109 C GLU A 134 -9.805 -10.449 -7.518 1.00 0.37 C ATOM 2110 O GLU A 134 -9.892 -11.659 -7.723 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.118 -9.741 -9.899 1.00 0.44 C ATOM 2112 CG GLU A 134 -8.631 -9.639 -10.201 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.309 -9.944 -11.650 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -8.608 -11.071 -12.101 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -7.758 -9.057 -12.335 1.00 0.87 O ATOM 0 H GLU A 134 -9.302 -7.717 -8.656 1.00 0.32 H new ATOM 0 HA GLU A 134 -11.553 -9.517 -8.328 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -10.463 -10.744 -10.149 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -10.659 -9.048 -10.544 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.283 -8.635 -9.959 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.085 -10.330 -9.558 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.131 -9.924 -6.500 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.432 -10.753 -5.532 1.00 0.35 C ATOM 2124 C LEU A 135 -9.417 -11.408 -4.582 1.00 0.34 C ATOM 2125 O LEU A 135 -10.367 -10.776 -4.122 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.447 -9.909 -4.721 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.173 -10.636 -4.261 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -5.327 -9.724 -3.401 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.492 -11.905 -3.491 1.00 1.41 C ATOM 0 H LEU A 135 -9.056 -8.922 -6.326 1.00 0.30 H new ATOM 0 HA LEU A 135 -7.889 -11.524 -6.079 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.156 -9.047 -5.320 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -7.963 -9.526 -3.841 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.619 -10.913 -5.158 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -4.429 -10.253 -3.083 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -5.044 -8.842 -3.975 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -5.897 -9.419 -2.524 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.564 -12.388 -3.185 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -7.081 -11.656 -2.608 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -7.061 -12.583 -4.127 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.165 -12.664 -4.270 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.008 -13.399 -3.347 1.00 0.38 C ATOM 2143 C VAL A 136 -9.149 -14.190 -2.360 1.00 0.42 C ATOM 2144 O VAL A 136 -8.329 -15.014 -2.762 1.00 0.53 O ATOM 2145 CB VAL A 136 -10.972 -14.350 -4.083 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.211 -15.281 -5.013 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.805 -15.144 -3.085 1.00 0.44 C ATOM 0 H VAL A 136 -8.381 -13.199 -4.643 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.609 -12.670 -2.803 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.647 -13.748 -4.690 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.913 -15.942 -5.521 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.668 -14.692 -5.752 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.506 -15.877 -4.434 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.480 -15.810 -3.623 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.145 -15.733 -2.448 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.387 -14.458 -2.469 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.342 -13.934 -1.068 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.590 -14.620 -0.036 1.00 0.53 C ATOM 2159 C PHE A 137 -8.797 -16.120 -0.152 1.00 0.57 C ATOM 2160 O PHE A 137 -9.876 -16.571 -0.540 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.029 -14.145 1.357 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.638 -12.730 1.699 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -8.928 -11.675 0.846 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -7.983 -12.461 2.890 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.572 -10.380 1.179 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.624 -11.169 3.225 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.919 -10.128 2.369 1.00 0.64 C ATOM 0 H PHE A 137 -10.016 -13.254 -0.717 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.533 -14.390 -0.169 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.113 -14.234 1.430 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.603 -14.815 2.104 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.437 -11.866 -0.087 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.750 -13.271 3.565 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.805 -9.566 0.508 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.113 -10.974 4.156 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.640 -9.118 2.629 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.777 -16.921 0.194 1.00 0.60 N ATOM 2178 CA PRO A 138 -7.876 -18.377 0.137 1.00 0.66 C ATOM 2179 C PRO A 138 -9.140 -18.864 0.839 1.00 0.73 C ATOM 2180 O PRO A 138 -9.611 -19.978 0.608 1.00 0.78 O ATOM 2181 CB PRO A 138 -6.625 -18.867 0.879 1.00 0.70 C ATOM 2182 CG PRO A 138 -5.992 -17.653 1.484 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.464 -16.479 0.678 1.00 0.62 C ATOM 0 HA PRO A 138 -7.933 -18.750 -0.886 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -6.889 -19.592 1.649 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -5.937 -19.364 0.195 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -6.280 -17.546 2.530 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -4.905 -17.729 1.459 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.540 -15.577 1.285 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -5.785 -16.254 -0.144 1.00 0.62 H new ATOM 2191 N ASP A 139 -9.677 -18.000 1.691 1.00 0.77 N ATOM 2192 CA ASP A 139 -10.889 -18.291 2.447 1.00 0.87 C ATOM 2193 C ASP A 139 -12.131 -18.093 1.578 1.00 0.80 C ATOM 2194 O ASP A 139 -12.858 -19.043 1.287 1.00 1.03 O ATOM 2195 CB ASP A 139 -10.971 -17.370 3.663 1.00 0.92 C ATOM 2196 CG ASP A 139 -11.701 -18.008 4.830 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -12.145 -19.168 4.687 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -11.832 -17.351 5.883 1.00 1.91 O ATOM 0 H ASP A 139 -9.285 -17.077 1.878 1.00 0.77 H new ATOM 0 HA ASP A 139 -10.850 -19.331 2.772 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -9.963 -17.096 3.975 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -11.479 -16.448 3.382 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.365 -16.844 1.176 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.516 -16.523 0.351 1.00 0.59 C ATOM 2205 C GLY A 140 -13.890 -15.054 0.439 1.00 0.61 C ATOM 2206 O GLY A 140 -15.069 -14.701 0.409 1.00 0.95 O ATOM 0 H GLY A 140 -11.774 -16.046 1.409 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.301 -16.780 -0.686 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.365 -17.132 0.661 1.00 0.59 H new ATOM 2210 N GLU A 141 -12.877 -14.202 0.553 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.080 -12.761 0.654 1.00 0.62 C ATOM 2212 C GLU A 141 -12.450 -12.044 -0.536 1.00 0.53 C ATOM 2213 O GLU A 141 -11.546 -12.570 -1.163 1.00 0.59 O ATOM 2214 CB GLU A 141 -12.463 -12.250 1.957 1.00 0.86 C ATOM 2215 CG GLU A 141 -12.515 -10.742 2.113 1.00 1.38 C ATOM 2216 CD GLU A 141 -11.919 -10.268 3.423 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -10.724 -10.540 3.664 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -12.647 -9.623 4.208 1.00 2.53 O ATOM 0 H GLU A 141 -11.898 -14.488 0.578 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.150 -12.555 0.651 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -12.982 -12.710 2.798 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -11.424 -12.575 2.007 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -11.979 -10.277 1.286 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.551 -10.410 2.049 1.00 1.38 H new ATOM 2225 N MET A 142 -12.928 -10.844 -0.848 1.00 0.48 N ATOM 2226 CA MET A 142 -12.391 -10.074 -1.969 1.00 0.41 C ATOM 2227 C MET A 142 -12.421 -8.585 -1.653 1.00 0.37 C ATOM 2228 O MET A 142 -13.236 -8.152 -0.842 1.00 0.39 O ATOM 2229 CB MET A 142 -13.211 -10.338 -3.230 1.00 0.42 C ATOM 2230 CG MET A 142 -13.229 -11.796 -3.663 1.00 0.49 C ATOM 2231 SD MET A 142 -14.124 -12.051 -5.207 1.00 0.55 S ATOM 2232 CE MET A 142 -15.742 -11.417 -4.773 1.00 1.68 C ATOM 0 H MET A 142 -13.685 -10.383 -0.343 1.00 0.48 H new ATOM 0 HA MET A 142 -11.360 -10.385 -2.135 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.236 -10.008 -3.060 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.812 -9.733 -4.044 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.204 -12.149 -3.779 1.00 0.49 H new ATOM 0 HG3 MET A 142 -13.687 -12.398 -2.878 1.00 0.49 H new ATOM 0 HE1 MET A 142 -16.486 -11.814 -5.464 1.00 1.68 H new ATOM 0 HE2 MET A 142 -15.992 -11.722 -3.757 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.735 -10.329 -4.834 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.559 -7.791 -2.302 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.564 -6.358 -2.058 1.00 0.39 C ATOM 2244 C LEU A 143 -12.974 -5.837 -2.287 1.00 0.41 C ATOM 2245 O LEU A 143 -13.400 -4.849 -1.691 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.574 -5.642 -2.984 1.00 0.44 C ATOM 2247 CG LEU A 143 -9.968 -4.343 -2.432 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -11.047 -3.351 -2.028 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.048 -4.645 -1.259 1.00 1.56 C ATOM 0 H LEU A 143 -10.869 -8.113 -2.981 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.255 -6.162 -1.031 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.761 -6.330 -3.219 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -11.081 -5.415 -3.922 1.00 0.44 H new ATOM 0 HG LEU A 143 -9.382 -3.883 -3.227 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -10.581 -2.444 -1.642 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -11.658 -3.104 -2.896 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -11.676 -3.793 -1.255 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.626 -3.715 -0.879 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -9.616 -5.136 -0.469 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -8.242 -5.301 -1.588 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.708 -6.544 -3.144 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.084 -6.183 -3.441 1.00 0.47 C ATOM 2263 C ARG A 144 -15.964 -6.443 -2.226 1.00 0.49 C ATOM 2264 O ARG A 144 -16.635 -5.539 -1.724 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.607 -6.979 -4.640 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.112 -6.862 -4.823 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.537 -5.420 -5.056 1.00 0.88 C ATOM 2268 NE ARG A 144 -17.388 -5.026 -6.455 1.00 1.47 N ATOM 2269 CZ ARG A 144 -17.748 -3.839 -6.931 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.273 -2.926 -6.125 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -17.582 -3.562 -8.218 1.00 2.83 N ATOM 0 H ARG A 144 -13.370 -7.368 -3.642 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.115 -5.122 -3.689 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -15.109 -6.631 -5.545 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.343 -8.029 -4.515 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.425 -7.475 -5.668 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.618 -7.253 -3.940 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -18.576 -5.295 -4.753 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.940 -4.760 -4.428 1.00 0.88 H new ATOM 0 HE ARG A 144 -16.984 -5.701 -7.104 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -18.402 -3.134 -5.135 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.548 -2.016 -6.495 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -17.178 -4.260 -8.842 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -17.858 -2.651 -8.583 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.948 -7.685 -1.754 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.733 -8.071 -0.591 1.00 0.52 C ATOM 2287 C GLN A 145 -16.335 -7.231 0.618 1.00 0.48 C ATOM 2288 O GLN A 145 -17.133 -7.020 1.531 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.548 -9.568 -0.307 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.218 -10.050 0.974 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.397 -9.769 2.221 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.161 -9.313 2.035 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -16.863 -9.973 3.343 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.398 -8.442 -2.161 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.788 -7.889 -0.796 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.945 -10.137 -1.147 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.482 -9.786 -0.250 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.191 -9.568 1.071 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.399 -11.122 0.900 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -17.816 -10.323 3.444 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -16.296 -9.792 4.171 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.095 -6.747 0.611 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.594 -5.922 1.701 1.00 0.40 C ATOM 2304 C ILE A 146 -15.194 -4.524 1.636 1.00 0.43 C ATOM 2305 O ILE A 146 -15.751 -4.037 2.620 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.054 -5.823 1.685 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.430 -7.212 1.857 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -12.574 -4.887 2.785 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -10.919 -7.215 1.778 1.00 0.78 C ATOM 0 H ILE A 146 -14.422 -6.913 -0.137 1.00 0.40 H new ATOM 0 HA ILE A 146 -14.895 -6.404 2.631 1.00 0.40 H new ATOM 0 HB ILE A 146 -12.741 -5.418 0.723 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -12.735 -7.621 2.820 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -12.826 -7.876 1.089 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -11.486 -4.827 2.762 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -12.996 -3.894 2.628 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -12.896 -5.269 3.754 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.550 -8.232 1.909 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.605 -6.837 0.805 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -10.512 -6.578 2.563 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.094 -3.878 0.473 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.651 -2.541 0.309 1.00 0.50 C ATOM 2323 C LEU A 147 -17.174 -2.578 0.384 1.00 0.59 C ATOM 2324 O LEU A 147 -17.824 -1.543 0.527 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.214 -1.924 -1.018 1.00 0.55 C ATOM 2326 CG LEU A 147 -13.782 -1.396 -1.050 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.458 -0.826 -2.421 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -13.582 -0.338 0.025 1.00 0.62 C ATOM 0 H LEU A 147 -14.638 -4.256 -0.358 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.271 -1.923 1.122 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.326 -2.673 -1.802 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -15.891 -1.105 -1.260 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.103 -2.225 -0.850 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.434 -0.454 -2.427 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -13.565 -1.607 -3.174 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.143 -0.008 -2.646 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -12.556 0.028 -0.011 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.269 0.490 -0.147 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -13.777 -0.773 1.005 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.740 -3.778 0.289 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.188 -3.944 0.349 1.00 0.73 C ATOM 2342 C HIS A 148 -19.683 -3.751 1.776 1.00 0.79 C ATOM 2343 O HIS A 148 -20.759 -3.198 2.005 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.587 -5.331 -0.162 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.067 -5.547 -0.225 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -21.884 -5.502 0.886 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -21.880 -5.812 -1.276 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.134 -5.730 0.521 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.159 -5.920 -0.785 1.00 1.34 N ATOM 0 H HIS A 148 -17.219 -4.647 0.171 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.649 -3.190 -0.288 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.165 -5.477 -1.156 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.146 -6.088 0.486 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -21.579 -5.919 -2.308 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -23.990 -5.756 1.180 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -23.992 -6.115 -1.340 1.00 1.34 H new ATOM 2358 N THR A 149 -18.881 -4.203 2.736 1.00 0.77 N ATOM 2359 CA THR A 149 -19.224 -4.077 4.146 1.00 0.88 C ATOM 2360 C THR A 149 -18.631 -2.798 4.727 1.00 0.86 C ATOM 2361 O THR A 149 -19.148 -2.247 5.699 1.00 0.94 O ATOM 2362 CB THR A 149 -18.718 -5.294 4.924 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.286 -6.488 4.414 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.033 -5.232 6.405 1.00 1.18 C ATOM 0 H THR A 149 -17.987 -4.661 2.560 1.00 0.77 H new ATOM 0 HA THR A 149 -20.309 -4.028 4.235 1.00 0.88 H new ATOM 0 HB THR A 149 -17.635 -5.287 4.798 1.00 0.90 H new ATOM 0 HG1 THR A 149 -18.949 -7.254 4.923 1.00 1.10 H new ATOM 0 HG21 THR A 149 -18.647 -6.125 6.897 1.00 1.18 H new ATOM 0 HG22 THR A 149 -18.567 -4.348 6.839 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.113 -5.179 6.545 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.542 -2.333 4.122 1.00 0.86 N ATOM 2373 CA ARG A 150 -16.874 -1.116 4.573 1.00 0.93 C ATOM 2374 C ARG A 150 -17.404 0.110 3.839 1.00 0.95 C ATOM 2375 O ARG A 150 -17.946 1.025 4.456 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.359 -1.229 4.370 1.00 0.99 C ATOM 2377 CG ARG A 150 -14.681 -2.202 5.322 1.00 0.96 C ATOM 2378 CD ARG A 150 -14.795 -1.738 6.765 1.00 1.26 C ATOM 2379 NE ARG A 150 -14.332 -2.752 7.708 1.00 2.01 N ATOM 2380 CZ ARG A 150 -14.397 -2.618 9.030 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -14.900 -1.512 9.564 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -13.961 -3.589 9.820 1.00 3.55 N ATOM 0 H ARG A 150 -17.103 -2.781 3.318 1.00 0.86 H new ATOM 0 HA ARG A 150 -17.085 -0.997 5.636 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.162 -1.542 3.345 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -14.911 -0.243 4.494 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.133 -3.189 5.219 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -13.630 -2.303 5.053 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -14.212 -0.827 6.899 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -15.833 -1.488 6.984 1.00 1.26 H new ATOM 0 HE ARG A 150 -13.936 -3.613 7.331 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -15.238 -0.762 8.961 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -14.949 -1.412 10.578 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -13.574 -4.441 9.415 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -14.012 -3.484 10.833 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.227 0.128 2.519 1.00 0.94 N ATOM 2397 CA ALA A 151 -17.673 1.252 1.701 1.00 1.04 C ATOM 2398 C ALA A 151 -16.926 2.517 2.106 1.00 1.11 C ATOM 2399 O ALA A 151 -17.535 3.520 2.483 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.178 1.447 1.829 1.00 1.61 C ATOM 0 H ALA A 151 -16.778 -0.623 1.994 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.452 1.036 0.656 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -19.490 2.290 1.212 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -19.691 0.545 1.497 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.432 1.647 2.870 1.00 1.61 H new ATOM 2406 N PHE A 152 -15.600 2.452 2.033 1.00 1.09 N ATOM 2407 CA PHE A 152 -14.755 3.579 2.401 1.00 1.61 C ATOM 2408 C PHE A 152 -14.184 4.274 1.172 1.00 1.38 C ATOM 2409 O PHE A 152 -12.996 4.590 1.132 1.00 1.90 O ATOM 2410 CB PHE A 152 -13.609 3.108 3.300 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.009 2.817 4.722 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.218 2.209 5.017 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -13.166 3.159 5.763 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -15.578 1.947 6.325 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -13.517 2.901 7.074 1.00 5.41 C ATOM 2416 CZ PHE A 152 -14.725 2.294 7.356 1.00 5.37 C ATOM 0 H PHE A 152 -15.088 1.627 1.721 1.00 1.09 H new ATOM 0 HA PHE A 152 -15.376 4.294 2.941 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.172 2.208 2.868 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -12.830 3.871 3.304 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -15.888 1.936 4.215 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -12.220 3.634 5.548 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -16.524 1.472 6.541 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -12.848 3.173 7.877 1.00 5.41 H new ATOM 0 HZ PHE A 152 -15.003 2.091 8.380 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.036 4.512 0.177 1.00 1.04 N ATOM 2427 CA ASP A 153 -14.611 5.181 -1.048 1.00 1.18 C ATOM 2428 C ASP A 153 -13.654 6.321 -0.721 1.00 1.01 C ATOM 2429 O ASP A 153 -12.498 6.304 -1.134 1.00 1.40 O ATOM 2430 CB ASP A 153 -15.826 5.717 -1.808 1.00 1.46 C ATOM 2431 CG ASP A 153 -16.798 4.618 -2.195 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -16.522 3.443 -1.875 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -17.836 4.933 -2.816 1.00 2.52 O ATOM 0 H ASP A 153 -16.022 4.252 0.196 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.094 4.458 -1.678 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -16.341 6.453 -1.191 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -15.490 6.234 -2.707 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.145 7.282 0.062 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.355 8.429 0.500 1.00 0.59 C ATOM 2440 C LYS A 154 -12.260 8.797 -0.499 1.00 0.52 C ATOM 2441 O LYS A 154 -12.467 8.736 -1.711 1.00 0.67 O ATOM 2442 CB LYS A 154 -12.747 8.110 1.859 1.00 0.63 C ATOM 2443 CG LYS A 154 -13.765 8.019 2.984 1.00 0.79 C ATOM 2444 CD LYS A 154 -13.101 7.823 4.344 1.00 0.93 C ATOM 2445 CE LYS A 154 -12.286 6.535 4.413 1.00 0.94 C ATOM 2446 NZ LYS A 154 -11.019 6.628 3.636 1.00 1.77 N ATOM 0 H LYS A 154 -15.104 7.285 0.410 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.015 9.294 0.571 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.209 7.165 1.792 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.014 8.877 2.107 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -14.367 8.928 3.002 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -14.446 7.190 2.790 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -12.451 8.673 4.554 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -13.866 7.808 5.120 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -12.056 6.308 5.454 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.884 5.708 4.031 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -10.292 6.035 4.085 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -11.183 6.298 2.664 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -10.696 7.616 3.616 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.091 9.171 0.021 1.00 0.55 N ATOM 2461 CA LEU A 155 -9.958 9.538 -0.815 1.00 0.57 C ATOM 2462 C LEU A 155 -10.343 10.551 -1.890 1.00 0.51 C ATOM 2463 O LEU A 155 -10.718 10.178 -3.002 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.371 8.286 -1.471 1.00 0.67 C ATOM 2465 CG LEU A 155 -8.520 7.402 -0.566 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -8.038 6.192 -1.340 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -7.338 8.183 -0.018 1.00 1.95 C ATOM 0 H LEU A 155 -10.908 9.227 1.023 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.213 10.006 -0.172 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -10.191 7.687 -1.866 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.763 8.595 -2.322 1.00 0.67 H new ATOM 0 HG LEU A 155 -9.128 7.068 0.275 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -7.430 5.563 -0.690 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.896 5.623 -1.697 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -7.440 6.519 -2.191 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -6.742 7.536 0.626 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -6.723 8.539 -0.844 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -7.700 9.034 0.558 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.223 11.833 -1.562 1.00 0.54 N ATOM 2480 CA ASN A 156 -10.539 12.887 -2.516 1.00 0.54 C ATOM 2481 C ASN A 156 -9.297 13.231 -3.332 1.00 0.53 C ATOM 2482 O ASN A 156 -8.276 13.630 -2.776 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.081 14.130 -1.795 1.00 0.63 C ATOM 2484 CG ASN A 156 -10.065 14.782 -0.873 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -9.091 15.384 -1.326 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -10.283 14.664 0.431 1.00 1.34 N ATOM 0 H ASN A 156 -9.911 12.165 -0.649 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.316 12.530 -3.192 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -11.407 14.858 -2.537 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -11.960 13.850 -1.215 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -9.632 15.080 1.097 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -11.102 14.157 0.767 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.383 13.049 -4.648 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.254 13.321 -5.538 1.00 0.46 C ATOM 2495 C LYS A 157 -7.463 14.541 -5.087 1.00 0.48 C ATOM 2496 O LYS A 157 -7.954 15.667 -5.157 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.731 13.517 -6.976 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.118 12.222 -7.670 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.715 12.484 -9.042 1.00 1.33 C ATOM 2500 CE LYS A 157 -10.125 11.192 -9.730 1.00 1.77 C ATOM 2501 NZ LYS A 157 -10.715 11.444 -11.073 1.00 2.30 N ATOM 0 H LYS A 157 -10.222 12.715 -5.122 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.596 12.453 -5.495 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.588 14.190 -6.977 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -7.942 14.005 -7.548 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.239 11.585 -7.770 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -9.837 11.680 -7.056 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -10.583 13.136 -8.943 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -8.989 13.012 -9.661 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -9.256 10.542 -9.831 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -10.848 10.663 -9.109 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -10.982 10.539 -11.510 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -11.559 12.043 -10.974 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -10.017 11.926 -11.674 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.238 14.283 -4.622 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.324 15.323 -4.145 1.00 0.54 C ATOM 2517 C TRP A 158 -5.716 16.713 -4.642 1.00 0.75 C ATOM 2518 O TRP A 158 -6.122 17.547 -3.803 1.00 1.21 O ATOM 2519 CB TRP A 158 -3.902 14.990 -4.601 1.00 0.62 C ATOM 2520 CG TRP A 158 -2.933 16.111 -4.403 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -2.369 16.890 -5.372 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.403 16.569 -3.159 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -1.533 17.818 -4.800 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.535 17.639 -3.443 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -2.584 16.179 -1.829 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.851 18.326 -2.446 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -1.903 16.862 -0.842 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.046 17.925 -1.154 1.00 1.07 C ATOM 2529 OXT TRP A 158 -5.613 16.956 -5.862 1.00 1.47 O ATOM 0 H TRP A 158 -5.851 13.341 -4.566 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.380 15.343 -3.057 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.550 14.115 -4.055 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -3.922 14.720 -5.657 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -2.553 16.791 -6.432 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -0.998 18.525 -5.304 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.243 15.361 -1.579 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.190 19.146 -2.684 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -2.033 16.572 0.190 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.529 18.438 -0.357 1.00 1.07 H new