USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1272 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 99 MET CE :methyl -125:sc= -5.26! (180deg=-5.99!) USER MOD Set 1.2: A 124 MET CE :methyl 175:sc= -0.181 (180deg=-0.181) USER MOD Set 2.1: A 31 SER OG : rot -120:sc= 0.29 USER MOD Set 2.2: A 62 THR OG1 : rot 84:sc= 1.29 USER MOD Set 2.3: A 72 HIS :FLIP no HD1:sc= -21.1! C(o=-21!,f=-20!) USER MOD Set 3.1: A 10 ASN :FLIP amide:sc= -9.74! C(o=-25!,f=-23!) USER MOD Set 3.2: A 48 GLN : amide:sc= -7.36! C(o=-23!,f=-30!) USER MOD Set 3.3: A 50 GLN :FLIP amide:sc= -6.1 F(o=-29!,f=-23) USER MOD Single : A 1 THR N :NH3+ 150:sc= 0.00824 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00764 USER MOD Single : A 4 TYR OH : rot -15:sc= -2.93! USER MOD Single : A 9 SER OG : rot 55:sc= -1.52 USER MOD Single : A 13 SER OG : rot 22:sc= -0.513! USER MOD Single : A 17 GLN : amide:sc= -4.69! C(o=-4.7!,f=-9.7!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.397 F(o=-2.4!,f=-0.4) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0356 (180deg=-0.304) USER MOD Single : A 32 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 35 THR OG1 : rot 168:sc= 0.25 USER MOD Single : A 37 SER OG : rot -152:sc= 0.188 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.932 USER MOD Single : A 53 TYR OH : rot -4:sc= 1.55 USER MOD Single : A 55 ASN : amide:sc= -7.89! C(o=-7.9!,f=-14!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.626 F(o=-3.6!,f=-0.63) USER MOD Single : A 73 THR OG1 : rot -32:sc= -2.33! USER MOD Single : A 74 GLN :FLIP amide:sc= -0.463 F(o=-2.9!,f=-0.46) USER MOD Single : A 79 GLN : amide:sc=-0.00508 X(o=-0.0051,f=-0.0038) USER MOD Single : A 80 GLN : amide:sc= -8.67! C(o=-8.7!,f=-11!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 170:sc= -3.06! USER MOD Single : A 103 ASN : amide:sc= -0.0844 X(o=-0.084,f=-0.039) USER MOD Single : A 107 ASN : amide:sc= 0.088 K(o=0.088,f=-1.3) USER MOD Single : A 108 THR OG1 : rot -72:sc= -4.34! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-2.6!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 179:sc= -5.39! (180deg=-5.39!) USER MOD Single : A 119 LYS NZ :NH3+ 176:sc= -2.33! (180deg=-2.52!) USER MOD Single : A 120 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 142 MET CE :methyl -143:sc= -0.21 (180deg=-0.777) USER MOD Single : A 145 GLN :FLIP amide:sc= -4.93! C(o=-9.1!,f=-4.9!) USER MOD Single : A 148 HIS : no HD1:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 0.291 -13.506 -8.850 1.00 0.73 N ATOM 2 CA THR A 1 0.642 -12.809 -7.585 1.00 0.53 C ATOM 3 C THR A 1 0.860 -11.317 -7.817 1.00 0.47 C ATOM 4 O THR A 1 1.703 -10.919 -8.620 1.00 0.70 O ATOM 5 CB THR A 1 1.910 -13.447 -7.013 1.00 0.54 C ATOM 6 OG1 THR A 1 1.710 -14.829 -6.771 1.00 0.58 O ATOM 7 CG2 THR A 1 2.365 -12.817 -5.716 1.00 0.81 C ATOM 0 H1 THR A 1 0.632 -14.488 -8.812 1.00 0.73 H new ATOM 0 H2 THR A 1 -0.742 -13.503 -8.973 1.00 0.73 H new ATOM 0 H3 THR A 1 0.737 -13.016 -9.652 1.00 0.73 H new ATOM 0 HA THR A 1 -0.182 -12.912 -6.879 1.00 0.53 H new ATOM 0 HB THR A 1 2.680 -13.284 -7.767 1.00 0.54 H new ATOM 0 HG1 THR A 1 2.532 -15.220 -6.407 1.00 0.58 H new ATOM 0 HG21 THR A 1 3.268 -13.317 -5.366 1.00 0.81 H new ATOM 0 HG22 THR A 1 2.575 -11.760 -5.879 1.00 0.81 H new ATOM 0 HG23 THR A 1 1.580 -12.920 -4.967 1.00 0.81 H new ATOM 17 N VAL A 2 0.092 -10.496 -7.106 1.00 0.44 N ATOM 18 CA VAL A 2 0.198 -9.047 -7.231 1.00 0.42 C ATOM 19 C VAL A 2 0.381 -8.382 -5.872 1.00 0.38 C ATOM 20 O VAL A 2 -0.173 -8.832 -4.870 1.00 0.43 O ATOM 21 CB VAL A 2 -1.042 -8.445 -7.910 1.00 0.51 C ATOM 22 CG1 VAL A 2 -0.914 -6.936 -8.014 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.256 -9.052 -9.282 1.00 0.85 C ATOM 0 H VAL A 2 -0.611 -10.811 -6.437 1.00 0.44 H new ATOM 0 HA VAL A 2 1.075 -8.856 -7.849 1.00 0.42 H new ATOM 0 HB VAL A 2 -1.910 -8.679 -7.294 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -1.802 -6.528 -8.498 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -0.816 -6.509 -7.016 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.032 -6.685 -8.604 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.140 -8.609 -9.742 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -0.385 -8.855 -9.907 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.398 -10.128 -9.186 1.00 0.85 H new ATOM 33 N ALA A 3 1.156 -7.300 -5.848 1.00 0.38 N ATOM 34 CA ALA A 3 1.400 -6.571 -4.615 1.00 0.40 C ATOM 35 C ALA A 3 0.420 -5.410 -4.457 1.00 0.40 C ATOM 36 O ALA A 3 0.618 -4.335 -5.021 1.00 0.65 O ATOM 37 CB ALA A 3 2.830 -6.058 -4.584 1.00 0.43 C ATOM 0 H ALA A 3 1.623 -6.913 -6.668 1.00 0.38 H new ATOM 0 HA ALA A 3 1.249 -7.257 -3.781 1.00 0.40 H new ATOM 0 HB1 ALA A 3 3.001 -5.513 -3.655 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.520 -6.900 -4.643 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.996 -5.392 -5.431 1.00 0.43 H new ATOM 43 N TYR A 4 -0.627 -5.633 -3.668 1.00 0.25 N ATOM 44 CA TYR A 4 -1.631 -4.607 -3.405 1.00 0.24 C ATOM 45 C TYR A 4 -1.100 -3.656 -2.335 1.00 0.27 C ATOM 46 O TYR A 4 -1.446 -3.763 -1.159 1.00 0.35 O ATOM 47 CB TYR A 4 -2.938 -5.255 -2.955 1.00 0.25 C ATOM 48 CG TYR A 4 -3.643 -6.046 -4.043 1.00 0.27 C ATOM 49 CD1 TYR A 4 -2.913 -6.712 -5.018 1.00 0.55 C ATOM 50 CD2 TYR A 4 -5.030 -6.133 -4.094 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.541 -7.434 -6.009 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.661 -6.856 -5.086 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.949 -7.484 -6.030 1.00 0.45 C ATOM 54 OH TYR A 4 -5.545 -8.229 -7.024 1.00 0.55 O ATOM 0 H TYR A 4 -0.803 -6.521 -3.197 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.832 -4.043 -4.316 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.732 -5.917 -2.114 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.610 -4.478 -2.592 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -1.834 -6.663 -4.999 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.622 -5.627 -3.346 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -2.963 -7.954 -6.759 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.739 -6.916 -5.101 1.00 0.66 H new ATOM 0 HH TYR A 4 -4.887 -8.428 -7.723 1.00 0.55 H new ATOM 64 N ILE A 5 -0.209 -2.762 -2.754 1.00 0.28 N ATOM 65 CA ILE A 5 0.443 -1.821 -1.845 1.00 0.34 C ATOM 66 C ILE A 5 -0.362 -0.542 -1.610 1.00 0.34 C ATOM 67 O ILE A 5 -1.204 -0.156 -2.420 1.00 0.39 O ATOM 68 CB ILE A 5 1.830 -1.427 -2.393 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.625 -2.677 -2.782 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.599 -0.603 -1.372 1.00 0.53 C ATOM 71 CD1 ILE A 5 2.890 -3.618 -1.625 1.00 0.95 C ATOM 0 H ILE A 5 0.081 -2.668 -3.727 1.00 0.28 H new ATOM 0 HA ILE A 5 0.528 -2.340 -0.890 1.00 0.34 H new ATOM 0 HB ILE A 5 1.685 -0.816 -3.284 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.081 -3.215 -3.558 1.00 0.44 H new ATOM 0 HG13 ILE A 5 3.578 -2.370 -3.214 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.574 -0.336 -1.780 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.041 0.305 -1.142 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.734 -1.186 -0.461 1.00 0.53 H new ATOM 0 HD11 ILE A 5 3.457 -4.479 -1.979 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.462 -3.098 -0.856 1.00 0.95 H new ATOM 0 HD13 ILE A 5 1.942 -3.955 -1.206 1.00 0.95 H new ATOM 83 N ALA A 6 -0.051 0.120 -0.494 1.00 0.40 N ATOM 84 CA ALA A 6 -0.681 1.379 -0.113 1.00 0.44 C ATOM 85 C ALA A 6 0.399 2.376 0.305 1.00 0.42 C ATOM 86 O ALA A 6 0.991 2.248 1.379 1.00 0.58 O ATOM 87 CB ALA A 6 -1.676 1.159 1.017 1.00 0.53 C ATOM 0 H ALA A 6 0.649 -0.206 0.172 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.229 1.780 -0.966 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -2.136 2.110 1.287 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.448 0.462 0.691 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -1.158 0.747 1.883 1.00 0.53 H new ATOM 93 N ILE A 7 0.681 3.344 -0.563 1.00 0.41 N ATOM 94 CA ILE A 7 1.726 4.334 -0.300 1.00 0.40 C ATOM 95 C ILE A 7 1.163 5.655 0.226 1.00 0.44 C ATOM 96 O ILE A 7 0.003 5.986 -0.008 1.00 0.52 O ATOM 97 CB ILE A 7 2.534 4.610 -1.586 1.00 0.50 C ATOM 98 CG1 ILE A 7 3.024 3.292 -2.189 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.708 5.535 -1.295 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.697 3.451 -3.535 1.00 0.99 C ATOM 0 H ILE A 7 0.201 3.465 -1.455 1.00 0.41 H new ATOM 0 HA ILE A 7 2.370 3.912 0.471 1.00 0.40 H new ATOM 0 HB ILE A 7 1.884 5.105 -2.307 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.723 2.824 -1.496 1.00 0.65 H new ATOM 0 HG13 ILE A 7 2.177 2.614 -2.294 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.265 5.717 -2.214 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.337 6.482 -0.902 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.364 5.070 -0.560 1.00 0.53 H new ATOM 0 HD11 ILE A 7 4.017 2.475 -3.899 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.994 3.890 -4.243 1.00 0.99 H new ATOM 0 HD13 ILE A 7 4.565 4.103 -3.433 1.00 0.99 H new ATOM 112 N GLY A 8 2.010 6.410 0.932 1.00 0.50 N ATOM 113 CA GLY A 8 1.602 7.692 1.473 1.00 0.61 C ATOM 114 C GLY A 8 2.785 8.621 1.666 1.00 0.62 C ATOM 115 O GLY A 8 3.917 8.160 1.795 1.00 0.90 O ATOM 0 H GLY A 8 2.975 6.150 1.137 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.880 8.157 0.802 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.099 7.541 2.428 1.00 0.61 H new ATOM 119 N SER A 9 2.532 9.926 1.681 1.00 0.56 N ATOM 120 CA SER A 9 3.607 10.898 1.858 1.00 0.63 C ATOM 121 C SER A 9 3.074 12.274 2.234 1.00 0.66 C ATOM 122 O SER A 9 2.095 12.751 1.665 1.00 0.77 O ATOM 123 CB SER A 9 4.460 10.991 0.597 1.00 0.77 C ATOM 124 OG SER A 9 5.386 12.059 0.691 1.00 1.58 O ATOM 0 H SER A 9 1.603 10.332 1.574 1.00 0.56 H new ATOM 0 HA SER A 9 4.227 10.546 2.683 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.994 10.053 0.445 1.00 0.77 H new ATOM 0 HB3 SER A 9 3.818 11.137 -0.272 1.00 0.77 H new ATOM 0 HG SER A 9 5.922 11.957 1.505 1.00 1.58 H new ATOM 130 N ASN A 10 3.733 12.902 3.202 1.00 0.69 N ATOM 131 CA ASN A 10 3.335 14.223 3.670 1.00 0.79 C ATOM 132 C ASN A 10 4.541 15.046 4.121 1.00 0.83 C ATOM 133 O ASN A 10 4.540 16.273 4.009 1.00 0.98 O ATOM 134 CB ASN A 10 2.333 14.087 4.813 1.00 0.99 C ATOM 135 CG ASN A 10 2.622 12.889 5.694 1.00 1.05 C ATOM 136 OD1 ASN A 10 1.597 12.087 5.948 1.00 2.01 O flip ATOM 137 ND2 ASN A 10 3.747 12.692 6.149 1.00 1.01 N flip ATOM 0 H ASN A 10 4.548 12.515 3.679 1.00 0.69 H new ATOM 0 HA ASN A 10 2.868 14.749 2.838 1.00 0.79 H new ATOM 0 HB2 ASN A 10 2.352 14.993 5.419 1.00 0.99 H new ATOM 0 HB3 ASN A 10 1.327 13.999 4.402 1.00 0.99 H new ATOM 0 HD21 ASN A 10 4.507 13.336 5.927 1.00 1.01 H new ATOM 0 HD22 ASN A 10 3.921 11.885 6.748 1.00 1.01 H new ATOM 144 N LEU A 11 5.568 14.368 4.629 1.00 0.83 N ATOM 145 CA LEU A 11 6.777 15.046 5.094 1.00 0.95 C ATOM 146 C LEU A 11 7.934 14.836 4.123 1.00 0.93 C ATOM 147 O LEU A 11 9.094 14.769 4.532 1.00 1.38 O ATOM 148 CB LEU A 11 7.171 14.556 6.494 1.00 1.12 C ATOM 149 CG LEU A 11 6.409 15.199 7.658 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.687 16.692 7.719 1.00 1.77 C ATOM 151 CD2 LEU A 11 4.917 14.942 7.539 1.00 1.54 C ATOM 0 H LEU A 11 5.588 13.353 4.729 1.00 0.83 H new ATOM 0 HA LEU A 11 6.559 16.113 5.143 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.022 13.477 6.537 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.236 14.737 6.636 1.00 1.12 H new ATOM 0 HG LEU A 11 6.760 14.742 8.584 1.00 0.90 H new ATOM 0 HD11 LEU A 11 6.137 17.131 8.552 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.755 16.858 7.862 1.00 1.77 H new ATOM 0 HD13 LEU A 11 6.369 17.160 6.787 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.399 15.409 8.377 1.00 1.54 H new ATOM 0 HD22 LEU A 11 4.548 15.364 6.604 1.00 1.54 H new ATOM 0 HD23 LEU A 11 4.731 13.868 7.550 1.00 1.54 H new ATOM 163 N ALA A 12 7.613 14.740 2.833 1.00 0.84 N ATOM 164 CA ALA A 12 8.627 14.546 1.803 1.00 0.91 C ATOM 165 C ALA A 12 8.021 14.622 0.405 1.00 0.95 C ATOM 166 O ALA A 12 8.211 13.722 -0.410 1.00 1.72 O ATOM 167 CB ALA A 12 9.332 13.210 2.001 1.00 0.97 C ATOM 0 H ALA A 12 6.658 14.794 2.479 1.00 0.84 H new ATOM 0 HA ALA A 12 9.357 15.350 1.896 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.086 13.078 1.225 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.811 13.193 2.980 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.603 12.402 1.940 1.00 0.97 H new ATOM 173 N SER A 13 7.291 15.707 0.140 1.00 0.81 N ATOM 174 CA SER A 13 6.651 15.915 -1.159 1.00 0.79 C ATOM 175 C SER A 13 5.857 14.682 -1.593 1.00 0.71 C ATOM 176 O SER A 13 6.393 13.779 -2.237 1.00 0.71 O ATOM 177 CB SER A 13 7.696 16.270 -2.223 1.00 0.89 C ATOM 178 OG SER A 13 8.642 15.228 -2.387 1.00 1.47 O ATOM 0 H SER A 13 7.128 16.458 0.811 1.00 0.81 H new ATOM 0 HA SER A 13 5.955 16.747 -1.055 1.00 0.79 H new ATOM 0 HB2 SER A 13 7.198 16.464 -3.173 1.00 0.89 H new ATOM 0 HB3 SER A 13 8.210 17.188 -1.938 1.00 0.89 H new ATOM 0 HG SER A 13 8.260 14.386 -2.063 1.00 1.47 H new ATOM 184 N PRO A 14 4.557 14.626 -1.240 1.00 0.69 N ATOM 185 CA PRO A 14 3.686 13.496 -1.587 1.00 0.66 C ATOM 186 C PRO A 14 3.650 13.216 -3.086 1.00 0.67 C ATOM 187 O PRO A 14 3.224 12.143 -3.515 1.00 0.66 O ATOM 188 CB PRO A 14 2.296 13.932 -1.099 1.00 0.68 C ATOM 189 CG PRO A 14 2.403 15.395 -0.826 1.00 0.80 C ATOM 190 CD PRO A 14 3.837 15.651 -0.469 1.00 0.78 C ATOM 0 HA PRO A 14 4.042 12.572 -1.132 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.535 13.729 -1.853 1.00 0.68 H new ATOM 0 HB3 PRO A 14 2.008 13.386 -0.201 1.00 0.68 H new ATOM 0 HG2 PRO A 14 2.110 15.976 -1.700 1.00 0.80 H new ATOM 0 HG3 PRO A 14 1.741 15.688 -0.011 1.00 0.80 H new ATOM 0 HD2 PRO A 14 4.149 16.658 -0.747 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.011 15.547 0.602 1.00 0.78 H new ATOM 198 N LEU A 15 4.093 14.182 -3.878 1.00 0.73 N ATOM 199 CA LEU A 15 4.102 14.037 -5.329 1.00 0.78 C ATOM 200 C LEU A 15 5.323 13.249 -5.802 1.00 0.73 C ATOM 201 O LEU A 15 5.237 12.465 -6.746 1.00 0.79 O ATOM 202 CB LEU A 15 4.087 15.415 -5.997 1.00 0.92 C ATOM 203 CG LEU A 15 4.049 15.396 -7.527 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.774 14.733 -8.025 1.00 1.00 C ATOM 205 CD2 LEU A 15 4.167 16.810 -8.079 1.00 1.15 C ATOM 0 H LEU A 15 4.451 15.076 -3.541 1.00 0.73 H new ATOM 0 HA LEU A 15 3.207 13.484 -5.614 1.00 0.78 H new ATOM 0 HB2 LEU A 15 3.220 15.968 -5.635 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.972 15.966 -5.678 1.00 0.92 H new ATOM 0 HG LEU A 15 4.898 14.813 -7.884 1.00 0.98 H new ATOM 0 HD11 LEU A 15 2.767 14.730 -9.115 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.730 13.707 -7.659 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.909 15.286 -7.658 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.138 16.779 -9.168 1.00 1.15 H new ATOM 0 HD22 LEU A 15 3.338 17.415 -7.711 1.00 1.15 H new ATOM 0 HD23 LEU A 15 5.109 17.250 -7.753 1.00 1.15 H new ATOM 217 N GLU A 16 6.458 13.470 -5.145 1.00 0.71 N ATOM 218 CA GLU A 16 7.698 12.797 -5.504 1.00 0.71 C ATOM 219 C GLU A 16 7.768 11.380 -4.939 1.00 0.63 C ATOM 220 O GLU A 16 8.212 10.457 -5.620 1.00 0.65 O ATOM 221 CB GLU A 16 8.880 13.615 -5.000 1.00 0.81 C ATOM 222 CG GLU A 16 9.082 14.917 -5.757 1.00 0.95 C ATOM 223 CD GLU A 16 9.405 14.693 -7.222 1.00 1.57 C ATOM 224 OE1 GLU A 16 10.433 14.046 -7.510 1.00 2.35 O ATOM 225 OE2 GLU A 16 8.630 15.166 -8.080 1.00 2.01 O ATOM 0 H GLU A 16 6.542 14.113 -4.358 1.00 0.71 H new ATOM 0 HA GLU A 16 7.732 12.715 -6.590 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.734 13.837 -3.943 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.787 13.015 -5.077 1.00 0.81 H new ATOM 0 HG2 GLU A 16 8.181 15.524 -5.676 1.00 0.95 H new ATOM 0 HG3 GLU A 16 9.890 15.482 -5.292 1.00 0.95 H new ATOM 232 N GLN A 17 7.338 11.215 -3.691 1.00 0.59 N ATOM 233 CA GLN A 17 7.368 9.906 -3.044 1.00 0.56 C ATOM 234 C GLN A 17 6.600 8.861 -3.850 1.00 0.55 C ATOM 235 O GLN A 17 6.822 7.664 -3.688 1.00 0.61 O ATOM 236 CB GLN A 17 6.787 9.982 -1.632 1.00 0.62 C ATOM 237 CG GLN A 17 7.635 10.772 -0.647 1.00 0.71 C ATOM 238 CD GLN A 17 9.042 10.226 -0.508 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.252 9.015 -0.515 1.00 1.99 O ATOM 240 NE2 GLN A 17 10.010 11.120 -0.337 1.00 1.63 N ATOM 0 H GLN A 17 6.967 11.967 -3.110 1.00 0.59 H new ATOM 0 HA GLN A 17 8.414 9.603 -2.989 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.796 10.433 -1.683 1.00 0.62 H new ATOM 0 HB3 GLN A 17 6.657 8.969 -1.250 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.685 11.812 -0.971 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.150 10.765 0.329 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.790 12.116 -0.338 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.973 10.810 -0.205 1.00 1.63 H new ATOM 249 N VAL A 18 5.687 9.317 -4.706 1.00 0.56 N ATOM 250 CA VAL A 18 4.884 8.405 -5.517 1.00 0.62 C ATOM 251 C VAL A 18 5.548 8.099 -6.856 1.00 0.60 C ATOM 252 O VAL A 18 5.501 6.963 -7.330 1.00 0.64 O ATOM 253 CB VAL A 18 3.475 8.975 -5.773 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.652 8.018 -6.624 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.771 9.265 -4.457 1.00 0.83 C ATOM 0 H VAL A 18 5.486 10.306 -4.855 1.00 0.56 H new ATOM 0 HA VAL A 18 4.801 7.480 -4.947 1.00 0.62 H new ATOM 0 HB VAL A 18 3.579 9.912 -6.321 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.661 8.441 -6.792 1.00 0.82 H new ATOM 0 HG12 VAL A 18 3.148 7.864 -7.582 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.556 7.063 -6.108 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.778 9.667 -4.657 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.681 8.344 -3.882 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.349 9.993 -3.888 1.00 0.83 H new ATOM 265 N ASN A 19 6.153 9.112 -7.472 1.00 0.60 N ATOM 266 CA ASN A 19 6.806 8.932 -8.764 1.00 0.64 C ATOM 267 C ASN A 19 7.841 7.809 -8.721 1.00 0.56 C ATOM 268 O ASN A 19 7.805 6.894 -9.542 1.00 0.63 O ATOM 269 CB ASN A 19 7.471 10.230 -9.225 1.00 0.72 C ATOM 270 CG ASN A 19 6.468 11.335 -9.494 1.00 0.82 C ATOM 271 OD1 ASN A 19 6.709 12.506 -8.918 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 5.497 11.142 -10.227 1.00 0.84 N flip ATOM 0 H ASN A 19 6.204 10.060 -7.099 1.00 0.60 H new ATOM 0 HA ASN A 19 6.031 8.656 -9.478 1.00 0.64 H new ATOM 0 HB2 ASN A 19 8.177 10.562 -8.464 1.00 0.72 H new ATOM 0 HB3 ASN A 19 8.046 10.038 -10.131 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.351 10.225 -10.649 1.00 0.84 H new ATOM 0 HD22 ASN A 19 4.839 11.899 -10.412 1.00 0.84 H new ATOM 279 N ALA A 20 8.766 7.889 -7.770 1.00 0.47 N ATOM 280 CA ALA A 20 9.816 6.882 -7.640 1.00 0.42 C ATOM 281 C ALA A 20 9.307 5.603 -6.979 1.00 0.35 C ATOM 282 O ALA A 20 9.916 4.544 -7.116 1.00 0.36 O ATOM 283 CB ALA A 20 10.992 7.447 -6.858 1.00 0.43 C ATOM 0 H ALA A 20 8.811 8.638 -7.079 1.00 0.47 H new ATOM 0 HA ALA A 20 10.143 6.620 -8.646 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.768 6.687 -6.768 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.393 8.315 -7.381 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.659 7.745 -5.864 1.00 0.43 H new ATOM 289 N ALA A 21 8.189 5.703 -6.267 1.00 0.36 N ATOM 290 CA ALA A 21 7.613 4.544 -5.593 1.00 0.39 C ATOM 291 C ALA A 21 7.118 3.514 -6.604 1.00 0.41 C ATOM 292 O ALA A 21 7.427 2.326 -6.496 1.00 0.44 O ATOM 293 CB ALA A 21 6.478 4.973 -4.679 1.00 0.46 C ATOM 0 H ALA A 21 7.666 6.570 -6.142 1.00 0.36 H new ATOM 0 HA ALA A 21 8.394 4.081 -4.990 1.00 0.39 H new ATOM 0 HB1 ALA A 21 6.059 4.097 -4.184 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.857 5.667 -3.929 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.702 5.463 -5.268 1.00 0.46 H new ATOM 299 N LEU A 22 6.353 3.977 -7.587 1.00 0.47 N ATOM 300 CA LEU A 22 5.815 3.097 -8.619 1.00 0.53 C ATOM 301 C LEU A 22 6.826 2.876 -9.740 1.00 0.50 C ATOM 302 O LEU A 22 6.704 1.935 -10.524 1.00 0.64 O ATOM 303 CB LEU A 22 4.508 3.675 -9.178 1.00 0.70 C ATOM 304 CG LEU A 22 4.577 5.126 -9.674 1.00 0.81 C ATOM 305 CD1 LEU A 22 5.338 5.219 -10.988 1.00 1.28 C ATOM 306 CD2 LEU A 22 3.178 5.702 -9.826 1.00 1.35 C ATOM 0 H LEU A 22 6.091 4.957 -7.691 1.00 0.47 H new ATOM 0 HA LEU A 22 5.607 2.128 -8.165 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.178 3.044 -10.003 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.744 3.612 -8.403 1.00 0.70 H new ATOM 0 HG LEU A 22 5.117 5.713 -8.930 1.00 0.81 H new ATOM 0 HD11 LEU A 22 5.372 6.258 -11.316 1.00 1.28 H new ATOM 0 HD12 LEU A 22 6.354 4.850 -10.847 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.835 4.616 -11.744 1.00 1.28 H new ATOM 0 HD21 LEU A 22 3.245 6.731 -10.178 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.616 5.107 -10.546 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.669 5.681 -8.862 1.00 1.35 H new ATOM 318 N LYS A 23 7.825 3.753 -9.812 1.00 0.45 N ATOM 319 CA LYS A 23 8.856 3.655 -10.841 1.00 0.49 C ATOM 320 C LYS A 23 9.929 2.644 -10.448 1.00 0.43 C ATOM 321 O LYS A 23 10.490 1.955 -11.302 1.00 0.51 O ATOM 322 CB LYS A 23 9.497 5.024 -11.079 1.00 0.56 C ATOM 323 CG LYS A 23 10.555 5.027 -12.173 1.00 0.93 C ATOM 324 CD LYS A 23 9.961 4.698 -13.536 1.00 1.62 C ATOM 325 CE LYS A 23 8.967 5.758 -13.985 1.00 2.52 C ATOM 326 NZ LYS A 23 9.595 7.107 -14.074 1.00 3.23 N ATOM 0 H LYS A 23 7.942 4.538 -9.171 1.00 0.45 H new ATOM 0 HA LYS A 23 8.382 3.314 -11.761 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.717 5.739 -11.339 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.949 5.370 -10.149 1.00 0.56 H new ATOM 0 HG2 LYS A 23 11.034 6.005 -12.212 1.00 0.93 H new ATOM 0 HG3 LYS A 23 11.331 4.301 -11.930 1.00 0.93 H new ATOM 0 HD2 LYS A 23 10.761 4.614 -14.271 1.00 1.62 H new ATOM 0 HD3 LYS A 23 9.465 3.728 -13.493 1.00 1.62 H new ATOM 0 HE2 LYS A 23 8.558 5.483 -14.957 1.00 2.52 H new ATOM 0 HE3 LYS A 23 8.132 5.792 -13.286 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 8.976 7.743 -14.615 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 9.733 7.490 -13.117 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 10.515 7.031 -14.552 1.00 3.23 H new ATOM 340 N ALA A 24 10.216 2.568 -9.153 1.00 0.37 N ATOM 341 CA ALA A 24 11.229 1.648 -8.647 1.00 0.41 C ATOM 342 C ALA A 24 10.766 0.200 -8.747 1.00 0.41 C ATOM 343 O ALA A 24 11.587 -0.718 -8.793 1.00 0.43 O ATOM 344 CB ALA A 24 11.579 1.992 -7.206 1.00 0.46 C ATOM 0 H ALA A 24 9.762 3.132 -8.435 1.00 0.37 H new ATOM 0 HA ALA A 24 12.119 1.757 -9.266 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.336 1.298 -6.840 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.966 3.010 -7.159 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.686 1.915 -6.586 1.00 0.46 H new ATOM 350 N LEU A 25 9.455 -0.003 -8.783 1.00 0.43 N ATOM 351 CA LEU A 25 8.895 -1.347 -8.875 1.00 0.48 C ATOM 352 C LEU A 25 9.090 -1.919 -10.275 1.00 0.49 C ATOM 353 O LEU A 25 9.114 -3.135 -10.462 1.00 0.57 O ATOM 354 CB LEU A 25 7.407 -1.330 -8.520 1.00 0.53 C ATOM 355 CG LEU A 25 7.088 -0.877 -7.092 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.587 -0.837 -6.864 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.754 -1.796 -6.080 1.00 1.00 C ATOM 0 H LEU A 25 8.760 0.743 -8.750 1.00 0.43 H new ATOM 0 HA LEU A 25 9.421 -1.983 -8.164 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.890 -0.672 -9.218 1.00 0.53 H new ATOM 0 HB3 LEU A 25 7.002 -2.331 -8.667 1.00 0.53 H new ATOM 0 HG LEU A 25 7.482 0.130 -6.958 1.00 0.70 H new ATOM 0 HD11 LEU A 25 5.382 -0.513 -5.844 1.00 0.95 H new ATOM 0 HD12 LEU A 25 5.131 -0.138 -7.565 1.00 0.95 H new ATOM 0 HD13 LEU A 25 5.169 -1.831 -7.019 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.516 -1.459 -5.071 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.390 -2.814 -6.218 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.834 -1.775 -6.225 1.00 1.00 H new ATOM 369 N GLY A 26 9.237 -1.032 -11.255 1.00 0.47 N ATOM 370 CA GLY A 26 9.439 -1.469 -12.623 1.00 0.53 C ATOM 371 C GLY A 26 10.838 -2.015 -12.842 1.00 0.50 C ATOM 372 O GLY A 26 11.112 -2.647 -13.863 1.00 0.64 O ATOM 0 H GLY A 26 9.220 -0.020 -11.126 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.707 -2.237 -12.871 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.265 -0.633 -13.301 1.00 0.53 H new ATOM 376 N ASP A 27 11.719 -1.773 -11.876 1.00 0.43 N ATOM 377 CA ASP A 27 13.097 -2.246 -11.956 1.00 0.46 C ATOM 378 C ASP A 27 13.321 -3.398 -10.978 1.00 0.41 C ATOM 379 O ASP A 27 14.158 -4.270 -11.210 1.00 0.56 O ATOM 380 CB ASP A 27 14.065 -1.100 -11.649 1.00 0.59 C ATOM 381 CG ASP A 27 15.517 -1.478 -11.882 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.771 -2.608 -12.349 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.400 -0.639 -11.605 1.00 1.48 O ATOM 0 H ASP A 27 11.502 -1.251 -11.027 1.00 0.43 H new ATOM 0 HA ASP A 27 13.284 -2.606 -12.968 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.813 -0.241 -12.272 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.937 -0.790 -10.612 1.00 0.59 H new ATOM 388 N ILE A 28 12.554 -3.392 -9.889 1.00 0.37 N ATOM 389 CA ILE A 28 12.644 -4.433 -8.866 1.00 0.36 C ATOM 390 C ILE A 28 12.661 -5.831 -9.495 1.00 0.42 C ATOM 391 O ILE A 28 12.010 -6.069 -10.512 1.00 0.47 O ATOM 392 CB ILE A 28 11.466 -4.319 -7.866 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.714 -3.171 -6.876 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.238 -5.633 -7.131 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.958 -3.349 -6.031 1.00 1.27 C ATOM 0 H ILE A 28 11.859 -2.672 -9.692 1.00 0.37 H new ATOM 0 HA ILE A 28 13.581 -4.287 -8.329 1.00 0.36 H new ATOM 0 HB ILE A 28 10.561 -4.097 -8.431 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.794 -2.236 -7.431 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.850 -3.078 -6.218 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.405 -5.522 -6.437 1.00 0.47 H new ATOM 0 HG22 ILE A 28 11.007 -6.418 -7.852 1.00 0.47 H new ATOM 0 HG23 ILE A 28 12.138 -5.902 -6.578 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.065 -2.499 -5.357 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.873 -4.266 -5.447 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.832 -3.411 -6.679 1.00 1.27 H new ATOM 407 N PRO A 29 13.411 -6.778 -8.891 1.00 0.49 N ATOM 408 CA PRO A 29 13.505 -8.151 -9.399 1.00 0.65 C ATOM 409 C PRO A 29 12.203 -8.921 -9.221 1.00 0.73 C ATOM 410 O PRO A 29 11.583 -8.872 -8.158 1.00 0.77 O ATOM 411 CB PRO A 29 14.610 -8.774 -8.543 1.00 0.75 C ATOM 412 CG PRO A 29 14.583 -7.994 -7.277 1.00 0.74 C ATOM 413 CD PRO A 29 14.219 -6.590 -7.670 1.00 0.51 C ATOM 0 HA PRO A 29 13.711 -8.175 -10.469 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.423 -9.832 -8.361 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.581 -8.702 -9.033 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.854 -8.406 -6.579 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.552 -8.022 -6.779 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.653 -6.087 -6.886 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.104 -5.984 -7.863 1.00 0.51 H new ATOM 421 N GLU A 30 11.802 -9.637 -10.266 1.00 0.83 N ATOM 422 CA GLU A 30 10.577 -10.426 -10.231 1.00 0.95 C ATOM 423 C GLU A 30 9.387 -9.564 -9.840 1.00 0.84 C ATOM 424 O GLU A 30 8.603 -9.928 -8.966 1.00 1.18 O ATOM 425 CB GLU A 30 10.716 -11.596 -9.256 1.00 1.17 C ATOM 426 CG GLU A 30 11.706 -12.652 -9.714 1.00 1.47 C ATOM 427 CD GLU A 30 13.155 -12.256 -9.497 1.00 2.16 C ATOM 428 OE1 GLU A 30 13.629 -11.323 -10.178 1.00 2.84 O ATOM 429 OE2 GLU A 30 13.820 -12.879 -8.644 1.00 2.65 O ATOM 0 H GLU A 30 12.309 -9.687 -11.150 1.00 0.83 H new ATOM 0 HA GLU A 30 10.406 -10.821 -11.232 1.00 0.95 H new ATOM 0 HB2 GLU A 30 11.028 -11.214 -8.284 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.740 -12.061 -9.117 1.00 1.17 H new ATOM 0 HG2 GLU A 30 11.507 -13.581 -9.180 1.00 1.47 H new ATOM 0 HG3 GLU A 30 11.547 -12.853 -10.773 1.00 1.47 H new ATOM 436 N SER A 31 9.260 -8.423 -10.499 1.00 0.60 N ATOM 437 CA SER A 31 8.163 -7.497 -10.228 1.00 0.54 C ATOM 438 C SER A 31 7.889 -6.615 -11.444 1.00 0.47 C ATOM 439 O SER A 31 8.812 -6.226 -12.159 1.00 0.59 O ATOM 440 CB SER A 31 8.490 -6.623 -9.015 1.00 0.57 C ATOM 441 OG SER A 31 8.678 -7.415 -7.854 1.00 1.37 O ATOM 0 H SER A 31 9.903 -8.112 -11.228 1.00 0.60 H new ATOM 0 HA SER A 31 7.269 -8.083 -10.013 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.391 -6.042 -9.213 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.682 -5.911 -8.847 1.00 0.57 H new ATOM 0 HG SER A 31 8.024 -7.155 -7.172 1.00 1.37 H new ATOM 447 N HIS A 32 6.614 -6.309 -11.676 1.00 0.38 N ATOM 448 CA HIS A 32 6.232 -5.480 -12.817 1.00 0.42 C ATOM 449 C HIS A 32 4.832 -4.900 -12.636 1.00 0.39 C ATOM 450 O HIS A 32 3.842 -5.619 -12.723 1.00 0.39 O ATOM 451 CB HIS A 32 6.280 -6.312 -14.097 1.00 0.52 C ATOM 452 CG HIS A 32 6.195 -5.501 -15.355 1.00 1.10 C ATOM 453 ND1 HIS A 32 6.194 -6.067 -16.615 1.00 1.90 N ATOM 454 CD2 HIS A 32 6.109 -4.162 -15.548 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.112 -5.110 -17.524 1.00 2.46 C ATOM 456 NE2 HIS A 32 6.058 -3.947 -16.903 1.00 2.42 N ATOM 0 H HIS A 32 5.835 -6.619 -11.095 1.00 0.38 H new ATOM 0 HA HIS A 32 6.938 -4.652 -12.886 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.206 -6.887 -14.110 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.459 -7.029 -14.083 1.00 0.52 H new ATOM 0 HD2 HIS A 32 6.085 -3.405 -14.778 1.00 1.90 H new ATOM 0 HE1 HIS A 32 6.093 -5.256 -18.594 1.00 2.46 H new ATOM 0 HE2 HIS A 32 5.989 -3.036 -17.356 1.00 2.42 H new ATOM 465 N ILE A 33 4.756 -3.598 -12.389 1.00 0.42 N ATOM 466 CA ILE A 33 3.473 -2.932 -12.200 1.00 0.42 C ATOM 467 C ILE A 33 2.592 -3.042 -13.441 1.00 0.41 C ATOM 468 O ILE A 33 3.062 -2.901 -14.569 1.00 0.48 O ATOM 469 CB ILE A 33 3.665 -1.449 -11.818 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.080 -1.355 -10.352 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.396 -0.644 -12.075 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.317 0.062 -9.872 1.00 0.70 C ATOM 0 H ILE A 33 5.566 -2.983 -12.315 1.00 0.42 H new ATOM 0 HA ILE A 33 2.969 -3.442 -11.379 1.00 0.42 H new ATOM 0 HB ILE A 33 4.451 -1.023 -12.442 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.306 -1.813 -9.735 1.00 0.61 H new ATOM 0 HG13 ILE A 33 4.991 -1.936 -10.204 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.562 0.397 -11.796 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.138 -0.699 -13.133 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.579 -1.053 -11.480 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.608 0.046 -8.822 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.112 0.518 -10.462 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.402 0.643 -9.986 1.00 0.70 H new ATOM 484 N LEU A 34 1.307 -3.302 -13.212 1.00 0.39 N ATOM 485 CA LEU A 34 0.344 -3.440 -14.297 1.00 0.40 C ATOM 486 C LEU A 34 -0.582 -2.228 -14.364 1.00 0.37 C ATOM 487 O LEU A 34 -0.640 -1.538 -15.381 1.00 0.50 O ATOM 488 CB LEU A 34 -0.480 -4.716 -14.108 1.00 0.43 C ATOM 489 CG LEU A 34 -1.530 -4.982 -15.188 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.866 -5.182 -16.542 1.00 1.42 C ATOM 491 CD2 LEU A 34 -2.372 -6.193 -14.822 1.00 1.39 C ATOM 0 H LEU A 34 0.909 -3.421 -12.280 1.00 0.39 H new ATOM 0 HA LEU A 34 0.895 -3.503 -15.235 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.201 -5.566 -14.069 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.982 -4.665 -13.142 1.00 0.43 H new ATOM 0 HG LEU A 34 -2.185 -4.113 -15.253 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -1.629 -5.370 -17.297 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.305 -4.286 -16.808 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -0.187 -6.033 -16.492 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -3.114 -6.369 -15.601 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -1.729 -7.068 -14.729 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -2.877 -6.012 -13.873 1.00 1.39 H new ATOM 503 N THR A 35 -1.305 -1.975 -13.276 1.00 0.30 N ATOM 504 CA THR A 35 -2.227 -0.847 -13.215 1.00 0.33 C ATOM 505 C THR A 35 -1.878 0.070 -12.049 1.00 0.34 C ATOM 506 O THR A 35 -1.311 -0.370 -11.048 1.00 0.44 O ATOM 507 CB THR A 35 -3.665 -1.343 -13.076 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.821 -2.099 -11.888 1.00 0.97 O ATOM 509 CG2 THR A 35 -4.113 -2.210 -14.233 1.00 0.93 C ATOM 0 H THR A 35 -1.269 -2.537 -12.425 1.00 0.30 H new ATOM 0 HA THR A 35 -2.136 -0.282 -14.142 1.00 0.33 H new ATOM 0 HB THR A 35 -4.281 -0.444 -13.057 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.775 -2.244 -11.716 1.00 0.97 H new ATOM 0 HG21 THR A 35 -5.143 -2.529 -14.072 1.00 0.93 H new ATOM 0 HG22 THR A 35 -4.050 -1.640 -15.160 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.469 -3.087 -14.302 1.00 0.93 H new ATOM 517 N VAL A 36 -2.218 1.348 -12.183 1.00 0.33 N ATOM 518 CA VAL A 36 -1.936 2.326 -11.139 1.00 0.39 C ATOM 519 C VAL A 36 -3.177 3.144 -10.792 1.00 0.36 C ATOM 520 O VAL A 36 -3.871 3.647 -11.676 1.00 0.38 O ATOM 521 CB VAL A 36 -0.805 3.285 -11.561 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.523 4.302 -10.464 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.453 2.506 -11.909 1.00 1.21 C ATOM 0 H VAL A 36 -2.689 1.730 -13.003 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.621 1.764 -10.260 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.129 3.827 -12.450 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.278 4.968 -10.783 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.423 4.885 -10.268 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.222 3.782 -9.554 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.240 3.199 -12.204 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.780 1.935 -11.040 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.242 1.824 -12.733 1.00 1.21 H new ATOM 533 N SER A 37 -3.440 3.277 -9.495 1.00 0.35 N ATOM 534 CA SER A 37 -4.587 4.041 -9.018 1.00 0.35 C ATOM 535 C SER A 37 -4.360 5.538 -9.214 1.00 0.40 C ATOM 536 O SER A 37 -3.368 5.947 -9.820 1.00 0.72 O ATOM 537 CB SER A 37 -4.843 3.732 -7.541 1.00 0.36 C ATOM 538 OG SER A 37 -5.455 2.465 -7.388 1.00 1.35 O ATOM 0 H SER A 37 -2.873 2.864 -8.755 1.00 0.35 H new ATOM 0 HA SER A 37 -5.462 3.751 -9.599 1.00 0.35 H new ATOM 0 HB2 SER A 37 -3.901 3.754 -6.992 1.00 0.36 H new ATOM 0 HB3 SER A 37 -5.481 4.503 -7.110 1.00 0.36 H new ATOM 0 HG SER A 37 -5.999 2.461 -6.573 1.00 1.35 H new ATOM 544 N SER A 38 -5.279 6.352 -8.702 1.00 0.43 N ATOM 545 CA SER A 38 -5.165 7.800 -8.832 1.00 0.45 C ATOM 546 C SER A 38 -4.635 8.416 -7.543 1.00 0.47 C ATOM 547 O SER A 38 -4.364 7.708 -6.576 1.00 0.70 O ATOM 548 CB SER A 38 -6.522 8.413 -9.183 1.00 0.50 C ATOM 549 OG SER A 38 -7.014 7.895 -10.407 1.00 1.19 O ATOM 0 H SER A 38 -6.106 6.035 -8.196 1.00 0.43 H new ATOM 0 HA SER A 38 -4.461 8.014 -9.636 1.00 0.45 H new ATOM 0 HB2 SER A 38 -7.235 8.207 -8.385 1.00 0.50 H new ATOM 0 HB3 SER A 38 -6.428 9.497 -9.255 1.00 0.50 H new ATOM 0 HG SER A 38 -7.883 8.301 -10.608 1.00 1.19 H new ATOM 555 N PHE A 39 -4.495 9.736 -7.535 1.00 0.38 N ATOM 556 CA PHE A 39 -4.005 10.441 -6.360 1.00 0.43 C ATOM 557 C PHE A 39 -5.165 10.874 -5.474 1.00 0.40 C ATOM 558 O PHE A 39 -6.179 11.375 -5.962 1.00 0.65 O ATOM 559 CB PHE A 39 -3.137 11.641 -6.768 1.00 0.59 C ATOM 560 CG PHE A 39 -3.733 12.507 -7.848 1.00 1.42 C ATOM 561 CD1 PHE A 39 -4.876 13.255 -7.617 1.00 1.93 C ATOM 562 CD2 PHE A 39 -3.135 12.579 -9.097 1.00 2.21 C ATOM 563 CE1 PHE A 39 -5.413 14.052 -8.608 1.00 2.75 C ATOM 564 CE2 PHE A 39 -3.666 13.377 -10.092 1.00 3.01 C ATOM 565 CZ PHE A 39 -4.808 14.115 -9.848 1.00 3.17 C ATOM 0 H PHE A 39 -4.714 10.338 -8.329 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.379 9.759 -5.784 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -2.953 12.256 -5.887 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.169 11.274 -7.108 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.353 13.214 -6.649 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -2.243 12.004 -9.295 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -6.307 14.627 -8.414 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -3.189 13.424 -11.060 1.00 3.01 H new ATOM 0 HZ PHE A 39 -5.226 14.739 -10.624 1.00 3.17 H new ATOM 575 N TYR A 40 -5.028 10.661 -4.170 1.00 0.38 N ATOM 576 CA TYR A 40 -6.084 11.021 -3.236 1.00 0.37 C ATOM 577 C TYR A 40 -5.529 11.685 -1.981 1.00 0.40 C ATOM 578 O TYR A 40 -4.421 11.386 -1.536 1.00 0.53 O ATOM 579 CB TYR A 40 -6.910 9.789 -2.846 1.00 0.44 C ATOM 580 CG TYR A 40 -7.576 9.099 -4.014 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.856 8.249 -4.842 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.924 9.298 -4.290 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.460 7.613 -5.911 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.534 8.668 -5.357 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.808 7.830 -6.160 1.00 0.66 C ATOM 586 OH TYR A 40 -9.403 7.194 -7.227 1.00 0.76 O ATOM 0 H TYR A 40 -4.202 10.244 -3.740 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.727 11.739 -3.744 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.261 9.076 -2.338 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.675 10.089 -2.130 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.807 8.082 -4.648 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.504 9.956 -3.660 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.888 6.953 -6.546 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.582 8.836 -5.558 1.00 0.67 H new ATOM 0 HH TYR A 40 -10.349 7.445 -7.271 1.00 0.76 H new ATOM 596 N ARG A 41 -6.327 12.581 -1.417 1.00 0.43 N ATOM 597 CA ARG A 41 -5.964 13.299 -0.204 1.00 0.50 C ATOM 598 C ARG A 41 -6.553 12.585 1.010 1.00 0.54 C ATOM 599 O ARG A 41 -7.735 12.237 1.014 1.00 0.67 O ATOM 600 CB ARG A 41 -6.493 14.732 -0.276 1.00 0.66 C ATOM 601 CG ARG A 41 -6.025 15.621 0.859 1.00 0.69 C ATOM 602 CD ARG A 41 -6.714 16.977 0.820 1.00 0.94 C ATOM 603 NE ARG A 41 -6.359 17.745 -0.373 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.140 18.227 -0.608 1.00 2.07 C ATOM 605 NH1 ARG A 41 -4.167 18.038 0.270 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.900 18.907 -1.721 1.00 2.95 N ATOM 0 H ARG A 41 -7.244 12.830 -1.788 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.878 13.325 -0.110 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -6.183 15.175 -1.222 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.583 14.706 -0.278 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -6.229 15.134 1.813 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.945 15.757 0.795 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -7.794 16.834 0.850 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.443 17.546 1.710 1.00 0.94 H new ATOM 0 HE ARG A 41 -7.087 17.922 -1.065 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -4.350 17.521 1.130 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -3.235 18.409 0.086 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -5.649 19.061 -2.396 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -3.967 19.276 -1.902 1.00 2.95 H new ATOM 620 N THR A 42 -5.730 12.348 2.027 1.00 0.61 N ATOM 621 CA THR A 42 -6.197 11.650 3.224 1.00 0.73 C ATOM 622 C THR A 42 -5.330 11.964 4.443 1.00 0.84 C ATOM 623 O THR A 42 -4.142 12.258 4.312 1.00 1.10 O ATOM 624 CB THR A 42 -6.209 10.146 2.962 1.00 0.81 C ATOM 625 OG1 THR A 42 -6.427 9.425 4.162 1.00 1.30 O ATOM 626 CG2 THR A 42 -4.928 9.640 2.345 1.00 1.28 C ATOM 0 H THR A 42 -4.748 12.624 2.049 1.00 0.61 H new ATOM 0 HA THR A 42 -7.206 11.997 3.445 1.00 0.73 H new ATOM 0 HB THR A 42 -7.023 9.983 2.256 1.00 0.81 H new ATOM 0 HG1 THR A 42 -6.432 8.464 3.970 1.00 1.30 H new ATOM 0 HG21 THR A 42 -5.002 8.564 2.184 1.00 1.28 H new ATOM 0 HG22 THR A 42 -4.762 10.139 1.390 1.00 1.28 H new ATOM 0 HG23 THR A 42 -4.094 9.851 3.014 1.00 1.28 H new ATOM 634 N PRO A 43 -5.923 11.903 5.653 1.00 0.74 N ATOM 635 CA PRO A 43 -5.224 12.179 6.902 1.00 0.86 C ATOM 636 C PRO A 43 -4.536 10.936 7.474 1.00 0.90 C ATOM 637 O PRO A 43 -5.162 9.886 7.630 1.00 0.94 O ATOM 638 CB PRO A 43 -6.347 12.645 7.844 1.00 0.98 C ATOM 639 CG PRO A 43 -7.639 12.426 7.109 1.00 0.87 C ATOM 640 CD PRO A 43 -7.324 11.572 5.910 1.00 0.71 C ATOM 0 HA PRO A 43 -4.427 12.910 6.767 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.331 12.080 8.776 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.223 13.696 8.106 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.370 11.934 7.751 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.074 13.377 6.802 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -7.460 10.511 6.119 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -7.962 11.813 5.060 1.00 0.71 H new ATOM 648 N PRO A 44 -3.233 11.042 7.798 1.00 0.98 N ATOM 649 CA PRO A 44 -2.454 9.927 8.360 1.00 1.12 C ATOM 650 C PRO A 44 -3.005 9.442 9.696 1.00 1.19 C ATOM 651 O PRO A 44 -3.874 10.079 10.290 1.00 2.06 O ATOM 652 CB PRO A 44 -1.052 10.519 8.544 1.00 1.28 C ATOM 653 CG PRO A 44 -1.018 11.714 7.654 1.00 1.18 C ATOM 654 CD PRO A 44 -2.417 12.253 7.643 1.00 1.03 C ATOM 0 HA PRO A 44 -2.479 9.053 7.709 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.874 10.796 9.583 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.281 9.800 8.269 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.315 12.459 8.026 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -0.695 11.444 6.649 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -2.584 12.960 8.455 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -2.642 12.776 6.713 1.00 1.03 H new ATOM 662 N LEU A 45 -2.487 8.309 10.162 1.00 0.99 N ATOM 663 CA LEU A 45 -2.923 7.730 11.428 1.00 1.03 C ATOM 664 C LEU A 45 -1.719 7.240 12.228 1.00 1.08 C ATOM 665 O LEU A 45 -1.166 6.176 11.943 1.00 1.32 O ATOM 666 CB LEU A 45 -3.901 6.576 11.166 1.00 1.15 C ATOM 667 CG LEU A 45 -4.663 6.054 12.392 1.00 1.53 C ATOM 668 CD1 LEU A 45 -5.841 5.198 11.953 1.00 1.83 C ATOM 669 CD2 LEU A 45 -3.746 5.251 13.303 1.00 2.21 C ATOM 0 H LEU A 45 -1.764 7.774 9.681 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.434 8.496 12.011 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.628 6.903 10.422 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -3.346 5.747 10.727 1.00 1.15 H new ATOM 0 HG LEU A 45 -5.034 6.913 12.951 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -6.373 4.834 12.832 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -6.517 5.795 11.341 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -5.478 4.351 11.371 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -4.311 4.893 14.164 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -3.342 4.400 12.754 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -2.927 5.884 13.644 1.00 2.21 H new ATOM 681 N GLY A 46 -1.320 8.020 13.227 1.00 1.09 N ATOM 682 CA GLY A 46 -0.185 7.645 14.050 1.00 1.18 C ATOM 683 C GLY A 46 0.722 8.820 14.368 1.00 1.11 C ATOM 684 O GLY A 46 0.259 9.839 14.879 1.00 1.19 O ATOM 0 H GLY A 46 -1.761 8.904 13.481 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -0.545 7.207 14.981 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.391 6.875 13.538 1.00 1.18 H new ATOM 688 N PRO A 47 2.036 8.695 14.103 1.00 1.12 N ATOM 689 CA PRO A 47 3.019 9.727 14.382 1.00 1.16 C ATOM 690 C PRO A 47 3.485 10.503 13.147 1.00 1.14 C ATOM 691 O PRO A 47 3.116 10.170 12.024 1.00 1.99 O ATOM 692 CB PRO A 47 4.162 8.882 14.914 1.00 1.36 C ATOM 693 CG PRO A 47 4.096 7.607 14.120 1.00 1.39 C ATOM 694 CD PRO A 47 2.699 7.509 13.549 1.00 1.26 C ATOM 0 HA PRO A 47 2.631 10.502 15.043 1.00 1.16 H new ATOM 0 HB2 PRO A 47 5.121 9.383 14.780 1.00 1.36 H new ATOM 0 HB3 PRO A 47 4.049 8.690 15.981 1.00 1.36 H new ATOM 0 HG2 PRO A 47 4.839 7.612 13.322 1.00 1.39 H new ATOM 0 HG3 PRO A 47 4.314 6.747 14.754 1.00 1.39 H new ATOM 0 HD2 PRO A 47 2.706 7.522 12.459 1.00 1.26 H new ATOM 0 HD3 PRO A 47 2.201 6.588 13.854 1.00 1.26 H new ATOM 702 N GLN A 48 4.317 11.525 13.403 1.00 0.95 N ATOM 703 CA GLN A 48 4.912 12.408 12.383 1.00 0.84 C ATOM 704 C GLN A 48 4.263 13.792 12.430 1.00 0.90 C ATOM 705 O GLN A 48 4.964 14.804 12.439 1.00 1.04 O ATOM 706 CB GLN A 48 4.833 11.817 10.965 1.00 0.83 C ATOM 707 CG GLN A 48 3.734 12.411 10.100 1.00 1.00 C ATOM 708 CD GLN A 48 2.986 11.362 9.329 1.00 1.29 C ATOM 709 OE1 GLN A 48 3.420 10.914 8.268 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.856 10.952 9.879 1.00 1.15 N ATOM 0 H GLN A 48 4.603 11.768 14.351 1.00 0.95 H new ATOM 0 HA GLN A 48 5.971 12.502 12.623 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.791 11.967 10.468 1.00 0.83 H new ATOM 0 HB3 GLN A 48 4.678 10.741 11.041 1.00 0.83 H new ATOM 0 HG2 GLN A 48 3.036 12.962 10.731 1.00 1.00 H new ATOM 0 HG3 GLN A 48 4.170 13.128 9.405 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.542 11.357 10.761 1.00 1.15 H new ATOM 0 HE22 GLN A 48 1.299 10.231 9.422 1.00 1.15 H new ATOM 719 N ASP A 49 2.924 13.807 12.470 1.00 0.99 N ATOM 720 CA ASP A 49 2.126 15.041 12.519 1.00 1.16 C ATOM 721 C ASP A 49 0.746 14.794 11.918 1.00 1.20 C ATOM 722 O ASP A 49 -0.206 15.521 12.195 1.00 1.33 O ATOM 723 CB ASP A 49 2.802 16.189 11.762 1.00 1.28 C ATOM 724 CG ASP A 49 1.980 17.465 11.794 1.00 1.51 C ATOM 725 OD1 ASP A 49 1.707 17.968 12.904 1.00 1.81 O ATOM 726 OD2 ASP A 49 1.609 17.959 10.708 1.00 1.70 O ATOM 0 H ASP A 49 2.359 12.958 12.469 1.00 0.99 H new ATOM 0 HA ASP A 49 2.036 15.328 13.567 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.783 16.380 12.198 1.00 1.28 H new ATOM 0 HB3 ASP A 49 2.966 15.891 10.726 1.00 1.28 H new ATOM 731 N GLN A 50 0.659 13.758 11.089 1.00 1.19 N ATOM 732 CA GLN A 50 -0.584 13.389 10.428 1.00 1.31 C ATOM 733 C GLN A 50 -1.137 14.508 9.552 1.00 1.33 C ATOM 734 O GLN A 50 -2.272 14.947 9.734 1.00 1.40 O ATOM 735 CB GLN A 50 -1.630 12.959 11.444 1.00 1.42 C ATOM 736 CG GLN A 50 -1.465 11.526 11.907 1.00 1.67 C ATOM 737 CD GLN A 50 -0.102 11.249 12.496 1.00 1.43 C ATOM 738 OE1 GLN A 50 0.520 10.169 12.040 1.00 2.03 O flip ATOM 739 NE2 GLN A 50 0.378 11.981 13.361 1.00 1.24 N flip ATOM 0 H GLN A 50 1.447 13.153 10.858 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.350 12.549 9.774 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -1.579 13.621 12.309 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.621 13.080 11.007 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -2.229 11.300 12.651 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.633 10.856 11.064 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -0.139 12.801 13.680 1.00 1.24 H new ATOM 0 HE22 GLN A 50 1.293 11.768 13.759 1.00 1.24 H new ATOM 748 N PRO A 51 -0.354 14.960 8.563 1.00 1.35 N ATOM 749 CA PRO A 51 -0.755 15.987 7.629 1.00 1.46 C ATOM 750 C PRO A 51 -1.297 15.362 6.350 1.00 1.54 C ATOM 751 O PRO A 51 -0.917 14.250 5.987 1.00 2.26 O ATOM 752 CB PRO A 51 0.560 16.721 7.359 1.00 1.52 C ATOM 753 CG PRO A 51 1.650 15.774 7.780 1.00 1.53 C ATOM 754 CD PRO A 51 0.985 14.501 8.231 1.00 1.37 C ATOM 0 HA PRO A 51 -1.546 16.637 8.003 1.00 1.46 H new ATOM 0 HB2 PRO A 51 0.653 16.981 6.305 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.611 17.652 7.923 1.00 1.52 H new ATOM 0 HG2 PRO A 51 2.331 15.579 6.952 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.243 16.205 8.587 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.974 13.746 7.445 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.490 14.059 9.090 1.00 1.37 H new ATOM 762 N ASP A 52 -2.186 16.072 5.680 1.00 1.24 N ATOM 763 CA ASP A 52 -2.789 15.581 4.442 1.00 1.23 C ATOM 764 C ASP A 52 -1.747 14.963 3.513 1.00 0.91 C ATOM 765 O ASP A 52 -0.974 15.671 2.867 1.00 1.55 O ATOM 766 CB ASP A 52 -3.531 16.714 3.730 1.00 1.67 C ATOM 767 CG ASP A 52 -2.735 18.004 3.689 1.00 2.16 C ATOM 768 OD1 ASP A 52 -1.651 18.013 3.067 1.00 2.56 O ATOM 769 OD2 ASP A 52 -3.189 19.008 4.278 1.00 2.69 O ATOM 0 H ASP A 52 -2.511 16.995 5.969 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.500 14.798 4.707 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -3.765 16.405 2.711 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -4.480 16.894 4.235 1.00 1.67 H new ATOM 774 N TYR A 53 -1.726 13.631 3.449 1.00 0.76 N ATOM 775 CA TYR A 53 -0.775 12.932 2.592 1.00 1.08 C ATOM 776 C TYR A 53 -1.457 12.435 1.322 1.00 0.87 C ATOM 777 O TYR A 53 -2.648 12.668 1.117 1.00 0.98 O ATOM 778 CB TYR A 53 -0.101 11.778 3.347 1.00 1.83 C ATOM 779 CG TYR A 53 -0.955 10.540 3.546 1.00 2.62 C ATOM 780 CD1 TYR A 53 -1.003 9.542 2.581 1.00 3.26 C ATOM 781 CD2 TYR A 53 -1.691 10.361 4.707 1.00 3.32 C ATOM 782 CE1 TYR A 53 -1.758 8.401 2.769 1.00 4.34 C ATOM 783 CE2 TYR A 53 -2.454 9.225 4.903 1.00 4.46 C ATOM 784 CZ TYR A 53 -2.481 8.248 3.933 1.00 4.90 C ATOM 785 OH TYR A 53 -3.238 7.115 4.126 1.00 6.13 O ATOM 0 H TYR A 53 -2.351 13.022 3.976 1.00 0.76 H new ATOM 0 HA TYR A 53 0.003 13.638 2.301 1.00 1.08 H new ATOM 0 HB2 TYR A 53 0.802 11.492 2.807 1.00 1.83 H new ATOM 0 HB3 TYR A 53 0.214 12.142 4.325 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -0.440 9.660 1.667 1.00 3.26 H new ATOM 0 HD2 TYR A 53 -1.668 11.123 5.472 1.00 3.32 H new ATOM 0 HE1 TYR A 53 -1.782 7.634 2.009 1.00 4.34 H new ATOM 0 HE2 TYR A 53 -3.025 9.105 5.811 1.00 4.46 H new ATOM 0 HH TYR A 53 -3.207 6.560 3.319 1.00 6.13 H new ATOM 795 N LEU A 54 -0.692 11.765 0.467 1.00 0.72 N ATOM 796 CA LEU A 54 -1.230 11.258 -0.789 1.00 0.59 C ATOM 797 C LEU A 54 -1.297 9.734 -0.789 1.00 0.61 C ATOM 798 O LEU A 54 -0.291 9.057 -0.575 1.00 0.88 O ATOM 799 CB LEU A 54 -0.374 11.735 -1.963 1.00 0.60 C ATOM 800 CG LEU A 54 -0.979 11.496 -3.347 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.223 12.350 -3.539 1.00 0.92 C ATOM 802 CD2 LEU A 54 0.043 11.785 -4.434 1.00 1.10 C ATOM 0 H LEU A 54 0.296 11.562 0.619 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.243 11.646 -0.897 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.186 12.802 -1.845 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.593 11.234 -1.915 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.268 10.448 -3.420 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -2.640 12.167 -4.529 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -2.962 12.092 -2.780 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -1.959 13.403 -3.445 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.406 11.609 -5.412 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.365 12.824 -4.364 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.904 11.129 -4.307 1.00 1.10 H new ATOM 814 N ASN A 55 -2.488 9.201 -1.040 1.00 0.50 N ATOM 815 CA ASN A 55 -2.689 7.756 -1.078 1.00 0.58 C ATOM 816 C ASN A 55 -2.982 7.294 -2.498 1.00 0.57 C ATOM 817 O ASN A 55 -3.636 7.999 -3.268 1.00 0.70 O ATOM 818 CB ASN A 55 -3.837 7.351 -0.160 1.00 0.82 C ATOM 819 CG ASN A 55 -5.158 7.955 -0.585 1.00 1.80 C ATOM 820 OD1 ASN A 55 -5.346 9.166 -0.517 1.00 2.63 O ATOM 821 ND2 ASN A 55 -6.078 7.110 -1.035 1.00 2.49 N ATOM 0 H ASN A 55 -3.330 9.748 -1.220 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.772 7.278 -0.732 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -3.924 6.265 -0.150 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -3.610 7.662 0.860 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -6.985 7.460 -1.342 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -5.877 6.111 -1.074 1.00 2.49 H new ATOM 828 N ALA A 56 -2.500 6.102 -2.840 1.00 0.51 N ATOM 829 CA ALA A 56 -2.715 5.545 -4.169 1.00 0.57 C ATOM 830 C ALA A 56 -2.174 4.125 -4.268 1.00 0.54 C ATOM 831 O ALA A 56 -0.969 3.923 -4.413 1.00 0.75 O ATOM 832 CB ALA A 56 -2.056 6.424 -5.222 1.00 0.61 C ATOM 0 H ALA A 56 -1.959 5.505 -2.215 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.790 5.513 -4.347 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.224 5.996 -6.210 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.486 7.425 -5.182 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.985 6.482 -5.029 1.00 0.61 H new ATOM 838 N ALA A 57 -3.068 3.142 -4.200 1.00 0.31 N ATOM 839 CA ALA A 57 -2.658 1.749 -4.300 1.00 0.29 C ATOM 840 C ALA A 57 -2.146 1.447 -5.702 1.00 0.29 C ATOM 841 O ALA A 57 -2.286 2.271 -6.607 1.00 0.39 O ATOM 842 CB ALA A 57 -3.818 0.834 -3.947 1.00 0.33 C ATOM 0 H ALA A 57 -4.071 3.284 -4.077 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.848 1.570 -3.593 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.499 -0.205 -4.026 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -4.144 1.037 -2.927 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.645 1.013 -4.635 1.00 0.33 H new ATOM 848 N VAL A 58 -1.560 0.268 -5.889 1.00 0.26 N ATOM 849 CA VAL A 58 -1.046 -0.113 -7.199 1.00 0.27 C ATOM 850 C VAL A 58 -0.786 -1.609 -7.293 1.00 0.27 C ATOM 851 O VAL A 58 -0.021 -2.173 -6.510 1.00 0.28 O ATOM 852 CB VAL A 58 0.236 0.662 -7.539 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.294 0.462 -6.465 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.769 0.259 -8.907 1.00 0.98 C ATOM 0 H VAL A 58 -1.430 -0.432 -5.159 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.817 0.144 -7.926 1.00 0.27 H new ATOM 0 HB VAL A 58 -0.013 1.723 -7.573 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.191 1.021 -6.730 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.913 0.819 -5.508 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.537 -0.598 -6.386 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.677 0.822 -9.124 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.994 -0.808 -8.910 1.00 0.98 H new ATOM 0 HG23 VAL A 58 0.018 0.474 -9.668 1.00 0.98 H new ATOM 864 N ALA A 59 -1.443 -2.251 -8.255 1.00 0.28 N ATOM 865 CA ALA A 59 -1.299 -3.683 -8.450 1.00 0.29 C ATOM 866 C ALA A 59 0.003 -4.018 -9.170 1.00 0.31 C ATOM 867 O ALA A 59 0.104 -3.895 -10.392 1.00 0.50 O ATOM 868 CB ALA A 59 -2.485 -4.228 -9.227 1.00 0.31 C ATOM 0 H ALA A 59 -2.080 -1.798 -8.910 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.269 -4.154 -7.468 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.366 -5.302 -9.367 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.403 -4.034 -8.673 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.538 -3.739 -10.200 1.00 0.31 H new ATOM 874 N LEU A 60 0.993 -4.456 -8.396 1.00 0.28 N ATOM 875 CA LEU A 60 2.292 -4.825 -8.943 1.00 0.28 C ATOM 876 C LEU A 60 2.299 -6.283 -9.369 1.00 0.30 C ATOM 877 O LEU A 60 2.253 -7.180 -8.529 1.00 0.33 O ATOM 878 CB LEU A 60 3.398 -4.605 -7.905 1.00 0.29 C ATOM 879 CG LEU A 60 4.790 -5.127 -8.299 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.342 -4.348 -9.480 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.741 -5.043 -7.114 1.00 0.31 C ATOM 0 H LEU A 60 0.918 -4.564 -7.384 1.00 0.28 H new ATOM 0 HA LEU A 60 2.478 -4.192 -9.811 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.474 -3.537 -7.702 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.099 -5.086 -6.974 1.00 0.29 H new ATOM 0 HG LEU A 60 4.694 -6.172 -8.595 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.327 -4.734 -9.742 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.672 -4.456 -10.333 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.424 -3.294 -9.214 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.722 -5.416 -7.408 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.829 -4.006 -6.791 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.354 -5.647 -6.293 1.00 0.31 H new ATOM 893 N GLU A 61 2.390 -6.522 -10.668 1.00 0.32 N ATOM 894 CA GLU A 61 2.439 -7.885 -11.165 1.00 0.36 C ATOM 895 C GLU A 61 3.818 -8.436 -10.863 1.00 0.34 C ATOM 896 O GLU A 61 4.753 -8.269 -11.644 1.00 0.36 O ATOM 897 CB GLU A 61 2.168 -7.911 -12.667 1.00 0.43 C ATOM 898 CG GLU A 61 1.862 -9.298 -13.207 1.00 0.52 C ATOM 899 CD GLU A 61 1.590 -9.299 -14.699 1.00 1.37 C ATOM 900 OE1 GLU A 61 2.490 -8.894 -15.466 1.00 1.88 O ATOM 901 OE2 GLU A 61 0.478 -9.701 -15.100 1.00 2.11 O ATOM 0 H GLU A 61 2.431 -5.800 -11.387 1.00 0.32 H new ATOM 0 HA GLU A 61 1.676 -8.495 -10.682 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.329 -7.251 -12.888 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.035 -7.510 -13.191 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.702 -9.959 -12.995 1.00 0.52 H new ATOM 0 HG3 GLU A 61 0.996 -9.704 -12.684 1.00 0.52 H new ATOM 908 N THR A 62 3.943 -9.050 -9.696 1.00 0.34 N ATOM 909 CA THR A 62 5.219 -9.578 -9.249 1.00 0.35 C ATOM 910 C THR A 62 5.195 -11.086 -9.069 1.00 0.39 C ATOM 911 O THR A 62 4.212 -11.659 -8.605 1.00 0.61 O ATOM 912 CB THR A 62 5.609 -8.913 -7.928 1.00 0.40 C ATOM 913 OG1 THR A 62 6.764 -9.518 -7.377 1.00 0.43 O ATOM 914 CG2 THR A 62 4.516 -8.976 -6.884 1.00 0.52 C ATOM 0 H THR A 62 3.174 -9.194 -9.042 1.00 0.34 H new ATOM 0 HA THR A 62 5.954 -9.355 -10.023 1.00 0.35 H new ATOM 0 HB THR A 62 5.796 -7.868 -8.177 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.565 -9.120 -7.778 1.00 0.43 H new ATOM 0 HG21 THR A 62 4.856 -8.487 -5.971 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.626 -8.469 -7.258 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.277 -10.018 -6.670 1.00 0.52 H new ATOM 922 N SER A 63 6.314 -11.709 -9.407 1.00 0.37 N ATOM 923 CA SER A 63 6.470 -13.142 -9.257 1.00 0.48 C ATOM 924 C SER A 63 7.469 -13.403 -8.142 1.00 0.42 C ATOM 925 O SER A 63 7.846 -14.543 -7.872 1.00 0.45 O ATOM 926 CB SER A 63 6.951 -13.776 -10.563 1.00 0.69 C ATOM 927 OG SER A 63 6.024 -13.552 -11.612 1.00 1.22 O ATOM 0 H SER A 63 7.133 -11.236 -9.790 1.00 0.37 H new ATOM 0 HA SER A 63 5.508 -13.590 -9.008 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.921 -13.361 -10.836 1.00 0.69 H new ATOM 0 HB3 SER A 63 7.091 -14.847 -10.420 1.00 0.69 H new ATOM 0 HG SER A 63 6.356 -13.966 -12.436 1.00 1.22 H new ATOM 933 N LEU A 64 7.891 -12.314 -7.501 1.00 0.37 N ATOM 934 CA LEU A 64 8.849 -12.390 -6.406 1.00 0.35 C ATOM 935 C LEU A 64 8.187 -12.990 -5.170 1.00 0.50 C ATOM 936 O LEU A 64 6.990 -12.801 -4.953 1.00 0.82 O ATOM 937 CB LEU A 64 9.395 -10.987 -6.100 1.00 0.49 C ATOM 938 CG LEU A 64 10.742 -10.931 -5.371 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.561 -11.192 -3.884 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.722 -11.934 -5.967 1.00 0.84 C ATOM 0 H LEU A 64 7.582 -11.368 -7.724 1.00 0.37 H new ATOM 0 HA LEU A 64 9.679 -13.035 -6.697 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.491 -10.444 -7.040 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.657 -10.456 -5.499 1.00 0.49 H new ATOM 0 HG LEU A 64 11.152 -9.929 -5.499 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.530 -11.148 -3.386 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.900 -10.436 -3.460 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.123 -12.180 -3.739 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.671 -11.876 -5.434 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.314 -12.941 -5.874 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.883 -11.704 -7.020 1.00 0.84 H new ATOM 952 N ALA A 65 8.967 -13.712 -4.369 1.00 0.58 N ATOM 953 CA ALA A 65 8.449 -14.338 -3.160 1.00 0.89 C ATOM 954 C ALA A 65 7.586 -13.359 -2.373 1.00 0.60 C ATOM 955 O ALA A 65 7.993 -12.226 -2.128 1.00 0.59 O ATOM 956 CB ALA A 65 9.591 -14.851 -2.296 1.00 1.41 C ATOM 0 H ALA A 65 9.959 -13.877 -4.537 1.00 0.58 H new ATOM 0 HA ALA A 65 7.827 -15.184 -3.453 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.187 -15.316 -1.397 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.169 -15.586 -2.856 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.237 -14.019 -2.015 1.00 1.41 H new ATOM 962 N PRO A 66 6.372 -13.775 -1.973 1.00 0.50 N ATOM 963 CA PRO A 66 5.458 -12.913 -1.221 1.00 0.40 C ATOM 964 C PRO A 66 6.060 -12.419 0.083 1.00 0.41 C ATOM 965 O PRO A 66 5.511 -11.529 0.731 1.00 0.62 O ATOM 966 CB PRO A 66 4.261 -13.812 -0.919 1.00 0.47 C ATOM 967 CG PRO A 66 4.343 -14.942 -1.886 1.00 0.75 C ATOM 968 CD PRO A 66 5.797 -15.107 -2.230 1.00 0.64 C ATOM 0 HA PRO A 66 5.209 -12.018 -1.791 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.294 -14.174 0.108 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.324 -13.267 -1.034 1.00 0.47 H new ATOM 0 HG2 PRO A 66 3.942 -15.856 -1.449 1.00 0.75 H new ATOM 0 HG3 PRO A 66 3.755 -14.731 -2.779 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.269 -15.872 -1.614 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.931 -15.407 -3.269 1.00 0.64 H new ATOM 976 N GLU A 67 7.178 -13.010 0.471 1.00 0.40 N ATOM 977 CA GLU A 67 7.841 -12.639 1.710 1.00 0.44 C ATOM 978 C GLU A 67 8.984 -11.657 1.478 1.00 0.37 C ATOM 979 O GLU A 67 9.233 -10.789 2.315 1.00 0.40 O ATOM 980 CB GLU A 67 8.334 -13.888 2.435 1.00 0.57 C ATOM 981 CG GLU A 67 8.760 -14.991 1.491 1.00 0.65 C ATOM 982 CD GLU A 67 9.315 -16.204 2.209 1.00 0.80 C ATOM 983 OE1 GLU A 67 10.330 -16.059 2.922 1.00 1.28 O ATOM 984 OE2 GLU A 67 8.736 -17.300 2.059 1.00 1.19 O ATOM 0 H GLU A 67 7.646 -13.749 -0.054 1.00 0.40 H new ATOM 0 HA GLU A 67 7.110 -12.130 2.338 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.174 -13.621 3.076 1.00 0.57 H new ATOM 0 HB3 GLU A 67 7.542 -14.260 3.086 1.00 0.57 H new ATOM 0 HG2 GLU A 67 7.906 -15.294 0.886 1.00 0.65 H new ATOM 0 HG3 GLU A 67 9.515 -14.604 0.806 1.00 0.65 H new ATOM 991 N GLU A 68 9.662 -11.766 0.339 1.00 0.34 N ATOM 992 CA GLU A 68 10.747 -10.846 0.031 1.00 0.31 C ATOM 993 C GLU A 68 10.207 -9.639 -0.703 1.00 0.29 C ATOM 994 O GLU A 68 10.820 -8.578 -0.710 1.00 0.30 O ATOM 995 CB GLU A 68 11.851 -11.509 -0.790 1.00 0.37 C ATOM 996 CG GLU A 68 13.006 -10.566 -1.099 1.00 0.34 C ATOM 997 CD GLU A 68 14.132 -11.248 -1.850 1.00 0.53 C ATOM 998 OE1 GLU A 68 13.886 -11.739 -2.972 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.260 -11.291 -1.315 1.00 1.02 O ATOM 0 H GLU A 68 9.482 -12.472 -0.375 1.00 0.34 H new ATOM 0 HA GLU A 68 11.190 -10.533 0.977 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.230 -12.375 -0.247 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.430 -11.878 -1.725 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.637 -9.727 -1.689 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.393 -10.154 -0.167 1.00 0.34 H new ATOM 1006 N LEU A 69 9.056 -9.824 -1.336 1.00 0.32 N ATOM 1007 CA LEU A 69 8.419 -8.765 -2.093 1.00 0.36 C ATOM 1008 C LEU A 69 8.265 -7.509 -1.250 1.00 0.35 C ATOM 1009 O LEU A 69 8.850 -6.479 -1.560 1.00 0.41 O ATOM 1010 CB LEU A 69 7.066 -9.234 -2.612 1.00 0.42 C ATOM 1011 CG LEU A 69 6.173 -8.143 -3.195 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.686 -7.691 -4.551 1.00 1.08 C ATOM 1013 CD2 LEU A 69 4.754 -8.645 -3.304 1.00 1.51 C ATOM 0 H LEU A 69 8.544 -10.706 -1.337 1.00 0.32 H new ATOM 0 HA LEU A 69 9.055 -8.519 -2.944 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.233 -9.991 -3.378 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.531 -9.719 -1.795 1.00 0.42 H new ATOM 0 HG LEU A 69 6.193 -7.283 -2.526 1.00 0.54 H new ATOM 0 HD11 LEU A 69 6.033 -6.913 -4.946 1.00 1.08 H new ATOM 0 HD12 LEU A 69 7.697 -7.297 -4.445 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.697 -8.538 -5.237 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.122 -7.861 -3.721 1.00 1.51 H new ATOM 0 HD22 LEU A 69 4.726 -9.519 -3.955 1.00 1.51 H new ATOM 0 HD23 LEU A 69 4.388 -8.919 -2.314 1.00 1.51 H new ATOM 1025 N LEU A 70 7.504 -7.580 -0.168 1.00 0.33 N ATOM 1026 CA LEU A 70 7.353 -6.407 0.674 1.00 0.39 C ATOM 1027 C LEU A 70 8.725 -5.972 1.142 1.00 0.42 C ATOM 1028 O LEU A 70 9.081 -4.800 1.080 1.00 0.61 O ATOM 1029 CB LEU A 70 6.460 -6.672 1.878 1.00 0.44 C ATOM 1030 CG LEU A 70 6.033 -5.410 2.618 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.367 -4.458 1.645 1.00 1.16 C ATOM 1032 CD2 LEU A 70 5.110 -5.750 3.777 1.00 1.01 C ATOM 0 H LEU A 70 6.997 -8.410 0.140 1.00 0.33 H new ATOM 0 HA LEU A 70 6.875 -5.623 0.087 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.570 -7.207 1.547 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.986 -7.328 2.571 1.00 0.44 H new ATOM 0 HG LEU A 70 6.914 -4.923 3.038 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.061 -3.554 2.172 1.00 1.16 H new ATOM 0 HD12 LEU A 70 6.069 -4.196 0.854 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.491 -4.938 1.208 1.00 1.16 H new ATOM 0 HD21 LEU A 70 4.818 -4.834 4.291 1.00 1.01 H new ATOM 0 HD22 LEU A 70 4.220 -6.253 3.398 1.00 1.01 H new ATOM 0 HD23 LEU A 70 5.629 -6.407 4.475 1.00 1.01 H new ATOM 1044 N ASN A 71 9.499 -6.950 1.582 1.00 0.31 N ATOM 1045 CA ASN A 71 10.861 -6.705 2.035 1.00 0.35 C ATOM 1046 C ASN A 71 11.627 -5.895 0.995 1.00 0.38 C ATOM 1047 O ASN A 71 12.470 -5.065 1.331 1.00 0.45 O ATOM 1048 CB ASN A 71 11.583 -8.030 2.282 1.00 0.36 C ATOM 1049 CG ASN A 71 11.011 -8.811 3.454 1.00 1.06 C ATOM 1050 OD1 ASN A 71 9.955 -8.288 4.069 1.00 1.87 O flip ATOM 1051 ND2 ASN A 71 11.513 -9.880 3.799 1.00 1.53 N flip ATOM 0 H ASN A 71 9.207 -7.926 1.636 1.00 0.31 H new ATOM 0 HA ASN A 71 10.817 -6.141 2.967 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.525 -8.642 1.382 1.00 0.36 H new ATOM 0 HB3 ASN A 71 12.639 -7.833 2.465 1.00 0.36 H new ATOM 0 HD21 ASN A 71 12.324 -10.247 3.300 1.00 1.53 H new ATOM 0 HD22 ASN A 71 11.119 -10.399 4.584 1.00 1.53 H new ATOM 1058 N HIS A 72 11.319 -6.148 -0.276 1.00 0.35 N ATOM 1059 CA HIS A 72 11.964 -5.452 -1.377 1.00 0.42 C ATOM 1060 C HIS A 72 11.380 -4.049 -1.510 1.00 0.41 C ATOM 1061 O HIS A 72 12.109 -3.080 -1.713 1.00 0.43 O ATOM 1062 CB HIS A 72 11.823 -6.259 -2.684 1.00 0.51 C ATOM 1063 CG HIS A 72 10.695 -5.855 -3.580 1.00 1.07 C ATOM 1064 ND1 HIS A 72 9.731 -6.604 -4.163 1.00 2.09 N flip ATOM 1065 CD2 HIS A 72 10.466 -4.556 -3.987 1.00 1.39 C flip ATOM 1066 CE1 HIS A 72 8.944 -5.755 -4.901 1.00 2.99 C flip ATOM 1067 NE2 HIS A 72 9.407 -4.523 -4.775 1.00 2.56 N flip ATOM 0 H HIS A 72 10.622 -6.835 -0.565 1.00 0.35 H new ATOM 0 HA HIS A 72 13.030 -5.356 -1.171 1.00 0.42 H new ATOM 0 HB2 HIS A 72 12.755 -6.174 -3.243 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.700 -7.311 -2.428 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.061 -3.700 -3.705 1.00 1.39 H new ATOM 0 HE1 HIS A 72 8.086 -6.046 -5.489 1.00 2.99 H new ATOM 0 HE2 HIS A 72 9.013 -3.690 -5.212 1.00 2.56 H new ATOM 1076 N THR A 73 10.057 -3.949 -1.369 1.00 0.45 N ATOM 1077 CA THR A 73 9.375 -2.662 -1.443 1.00 0.49 C ATOM 1078 C THR A 73 9.914 -1.745 -0.352 1.00 0.46 C ATOM 1079 O THR A 73 9.927 -0.523 -0.494 1.00 0.47 O ATOM 1080 CB THR A 73 7.863 -2.844 -1.277 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.541 -3.193 0.055 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.282 -3.910 -2.179 1.00 0.66 C ATOM 0 H THR A 73 9.440 -4.744 -1.203 1.00 0.45 H new ATOM 0 HA THR A 73 9.560 -2.216 -2.420 1.00 0.49 H new ATOM 0 HB THR A 73 7.430 -1.882 -1.551 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.271 -3.720 0.441 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.208 -3.985 -2.009 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.467 -3.646 -3.220 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.752 -4.869 -1.959 1.00 0.66 H new ATOM 1090 N GLN A 74 10.369 -2.362 0.734 1.00 0.49 N ATOM 1091 CA GLN A 74 10.925 -1.633 1.867 1.00 0.49 C ATOM 1092 C GLN A 74 12.140 -0.807 1.447 1.00 0.43 C ATOM 1093 O GLN A 74 12.463 0.201 2.074 1.00 0.45 O ATOM 1094 CB GLN A 74 11.322 -2.616 2.973 1.00 0.60 C ATOM 1095 CG GLN A 74 10.148 -3.388 3.561 1.00 0.65 C ATOM 1096 CD GLN A 74 9.164 -2.513 4.324 1.00 0.87 C ATOM 1097 OE1 GLN A 74 9.481 -1.232 4.475 1.00 1.66 O flip ATOM 1098 NE2 GLN A 74 8.128 -2.993 4.785 1.00 1.05 N flip ATOM 0 H GLN A 74 10.363 -3.375 0.853 1.00 0.49 H new ATOM 0 HA GLN A 74 10.162 -0.951 2.242 1.00 0.49 H new ATOM 0 HB2 GLN A 74 12.047 -3.325 2.573 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.820 -2.067 3.772 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.619 -3.898 2.756 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.530 -4.159 4.230 1.00 0.65 H new ATOM 0 HE21 GLN A 74 7.919 -3.982 4.648 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.479 -2.402 5.304 1.00 1.05 H new ATOM 1107 N ARG A 75 12.812 -1.245 0.386 1.00 0.44 N ATOM 1108 CA ARG A 75 13.994 -0.551 -0.113 1.00 0.46 C ATOM 1109 C ARG A 75 13.637 0.766 -0.795 1.00 0.43 C ATOM 1110 O ARG A 75 14.487 1.646 -0.922 1.00 0.52 O ATOM 1111 CB ARG A 75 14.781 -1.440 -1.079 1.00 0.59 C ATOM 1112 CG ARG A 75 15.711 -2.423 -0.386 1.00 1.17 C ATOM 1113 CD ARG A 75 14.937 -3.465 0.410 1.00 1.93 C ATOM 1114 NE ARG A 75 15.823 -4.401 1.101 1.00 2.51 N ATOM 1115 CZ ARG A 75 16.655 -5.232 0.479 1.00 2.97 C ATOM 1116 NH1 ARG A 75 16.713 -5.256 -0.847 1.00 3.08 N ATOM 1117 NH2 ARG A 75 17.432 -6.043 1.186 1.00 3.82 N ATOM 0 H ARG A 75 12.557 -2.078 -0.145 1.00 0.44 H new ATOM 0 HA ARG A 75 14.617 -0.324 0.752 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.079 -1.995 -1.702 1.00 0.59 H new ATOM 0 HB3 ARG A 75 15.367 -0.807 -1.745 1.00 0.59 H new ATOM 0 HG2 ARG A 75 16.333 -2.921 -1.129 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.382 -1.881 0.280 1.00 1.17 H new ATOM 0 HD2 ARG A 75 14.301 -2.964 1.139 1.00 1.93 H new ATOM 0 HD3 ARG A 75 14.279 -4.018 -0.261 1.00 1.93 H new ATOM 0 HE ARG A 75 15.802 -4.418 2.121 1.00 2.51 H new ATOM 0 HH11 ARG A 75 16.118 -4.635 -1.395 1.00 3.08 H new ATOM 0 HH12 ARG A 75 17.353 -5.895 -1.318 1.00 3.08 H new ATOM 0 HH21 ARG A 75 17.391 -6.029 2.205 1.00 3.82 H new ATOM 0 HH22 ARG A 75 18.070 -6.681 0.710 1.00 3.82 H new ATOM 1131 N ILE A 76 12.387 0.908 -1.228 1.00 0.43 N ATOM 1132 CA ILE A 76 11.964 2.140 -1.881 1.00 0.48 C ATOM 1133 C ILE A 76 11.980 3.281 -0.881 1.00 0.49 C ATOM 1134 O ILE A 76 12.378 4.400 -1.200 1.00 0.60 O ATOM 1135 CB ILE A 76 10.558 2.023 -2.504 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.527 0.863 -3.508 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.175 3.332 -3.179 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.218 0.733 -4.256 1.00 1.42 C ATOM 0 H ILE A 76 11.661 0.197 -1.140 1.00 0.43 H new ATOM 0 HA ILE A 76 12.667 2.335 -2.691 1.00 0.48 H new ATOM 0 HB ILE A 76 9.832 1.819 -1.717 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.334 0.998 -4.228 1.00 0.62 H new ATOM 0 HG13 ILE A 76 10.725 -0.069 -2.978 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.181 3.239 -3.616 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.174 4.135 -2.442 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.896 3.561 -3.964 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.275 -0.109 -4.946 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.408 0.566 -3.546 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.026 1.648 -4.816 1.00 1.42 H new ATOM 1150 N GLU A 77 11.566 2.971 0.338 1.00 0.45 N ATOM 1151 CA GLU A 77 11.544 3.948 1.413 1.00 0.52 C ATOM 1152 C GLU A 77 12.943 4.496 1.670 1.00 0.52 C ATOM 1153 O GLU A 77 13.110 5.606 2.167 1.00 0.71 O ATOM 1154 CB GLU A 77 10.994 3.303 2.684 1.00 0.59 C ATOM 1155 CG GLU A 77 9.490 3.097 2.664 1.00 0.95 C ATOM 1156 CD GLU A 77 8.968 2.485 3.949 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.154 3.101 5.019 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.373 1.389 3.885 1.00 1.52 O ATOM 0 H GLU A 77 11.239 2.043 0.608 1.00 0.45 H new ATOM 0 HA GLU A 77 10.899 4.776 1.119 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.482 2.339 2.832 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.255 3.927 3.539 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.998 4.055 2.496 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.226 2.452 1.826 1.00 0.95 H new ATOM 1165 N LEU A 78 13.941 3.700 1.318 1.00 0.47 N ATOM 1166 CA LEU A 78 15.337 4.081 1.498 1.00 0.56 C ATOM 1167 C LEU A 78 15.839 4.868 0.295 1.00 0.57 C ATOM 1168 O LEU A 78 16.450 5.928 0.441 1.00 0.66 O ATOM 1169 CB LEU A 78 16.202 2.835 1.704 1.00 0.63 C ATOM 1170 CG LEU A 78 15.818 1.964 2.904 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.679 0.712 2.950 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.954 2.752 4.200 1.00 0.84 C ATOM 0 H LEU A 78 13.810 2.778 0.902 1.00 0.47 H new ATOM 0 HA LEU A 78 15.408 4.715 2.382 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.152 2.225 0.802 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.240 3.148 1.820 1.00 0.63 H new ATOM 0 HG LEU A 78 14.777 1.662 2.792 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.393 0.105 3.809 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.535 0.137 2.035 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.728 0.995 3.039 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.677 2.118 5.042 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.986 3.082 4.318 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.296 3.621 4.168 1.00 0.84 H new ATOM 1184 N GLN A 79 15.578 4.334 -0.892 1.00 0.56 N ATOM 1185 CA GLN A 79 16.002 4.975 -2.131 1.00 0.63 C ATOM 1186 C GLN A 79 15.228 6.265 -2.363 1.00 0.66 C ATOM 1187 O GLN A 79 15.553 7.044 -3.260 1.00 0.84 O ATOM 1188 CB GLN A 79 15.797 4.027 -3.305 1.00 0.67 C ATOM 1189 CG GLN A 79 16.417 2.664 -3.079 1.00 0.93 C ATOM 1190 CD GLN A 79 16.473 1.836 -4.345 1.00 1.22 C ATOM 1191 OE1 GLN A 79 17.118 2.216 -5.321 1.00 1.95 O ATOM 1192 NE2 GLN A 79 15.792 0.702 -4.337 1.00 1.30 N ATOM 0 H GLN A 79 15.074 3.457 -1.023 1.00 0.56 H new ATOM 0 HA GLN A 79 17.061 5.218 -2.048 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.729 3.909 -3.487 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.226 4.471 -4.203 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.426 2.788 -2.685 1.00 0.93 H new ATOM 0 HG3 GLN A 79 15.843 2.128 -2.323 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.271 0.426 -3.505 1.00 1.30 H new ATOM 0 HE22 GLN A 79 15.788 0.104 -5.163 1.00 1.30 H new ATOM 1201 N GLN A 80 14.199 6.482 -1.550 1.00 0.54 N ATOM 1202 CA GLN A 80 13.374 7.668 -1.661 1.00 0.59 C ATOM 1203 C GLN A 80 13.897 8.787 -0.772 1.00 0.68 C ATOM 1204 O GLN A 80 13.504 9.944 -0.920 1.00 0.78 O ATOM 1205 CB GLN A 80 11.935 7.320 -1.290 1.00 0.54 C ATOM 1206 CG GLN A 80 11.103 6.834 -2.468 1.00 0.99 C ATOM 1207 CD GLN A 80 10.991 7.868 -3.574 1.00 0.98 C ATOM 1208 OE1 GLN A 80 11.995 8.307 -4.136 1.00 1.68 O ATOM 1209 NE2 GLN A 80 9.765 8.261 -3.896 1.00 0.74 N ATOM 0 H GLN A 80 13.920 5.844 -0.804 1.00 0.54 H new ATOM 0 HA GLN A 80 13.408 8.023 -2.691 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.944 6.549 -0.519 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.458 8.199 -0.857 1.00 0.54 H new ATOM 0 HG2 GLN A 80 11.548 5.924 -2.871 1.00 0.99 H new ATOM 0 HG3 GLN A 80 10.104 6.572 -2.119 1.00 0.99 H new ATOM 0 HE21 GLN A 80 8.960 7.872 -3.406 1.00 0.74 H new ATOM 0 HE22 GLN A 80 9.628 8.952 -4.634 1.00 0.74 H new ATOM 1218 N GLY A 81 14.781 8.437 0.154 1.00 0.74 N ATOM 1219 CA GLY A 81 15.334 9.425 1.052 1.00 0.88 C ATOM 1220 C GLY A 81 14.408 9.702 2.210 1.00 0.89 C ATOM 1221 O GLY A 81 14.227 10.853 2.609 1.00 0.99 O ATOM 0 H GLY A 81 15.123 7.487 0.297 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.296 9.077 1.429 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.522 10.350 0.506 1.00 0.88 H new ATOM 1225 N ARG A 82 13.811 8.642 2.748 1.00 0.95 N ATOM 1226 CA ARG A 82 12.889 8.777 3.866 1.00 1.07 C ATOM 1227 C ARG A 82 13.571 9.483 5.025 1.00 1.09 C ATOM 1228 O ARG A 82 14.766 9.776 4.970 1.00 1.50 O ATOM 1229 CB ARG A 82 12.369 7.410 4.315 1.00 1.34 C ATOM 1230 CG ARG A 82 13.383 6.574 5.077 1.00 1.78 C ATOM 1231 CD ARG A 82 12.876 5.156 5.278 1.00 2.05 C ATOM 1232 NE ARG A 82 13.757 4.380 6.145 1.00 2.68 N ATOM 1233 CZ ARG A 82 13.536 3.112 6.482 1.00 3.14 C ATOM 1234 NH1 ARG A 82 12.471 2.474 6.019 1.00 3.20 N ATOM 1235 NH2 ARG A 82 14.385 2.483 7.284 1.00 3.90 N ATOM 0 H ARG A 82 13.950 7.684 2.427 1.00 0.95 H new ATOM 0 HA ARG A 82 12.039 9.374 3.536 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.491 7.557 4.944 1.00 1.34 H new ATOM 0 HB3 ARG A 82 12.042 6.852 3.437 1.00 1.34 H new ATOM 0 HG2 ARG A 82 14.326 6.553 4.531 1.00 1.78 H new ATOM 0 HG3 ARG A 82 13.585 7.033 6.045 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.876 5.186 5.710 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.790 4.661 4.311 1.00 2.05 H new ATOM 0 HE ARG A 82 14.591 4.837 6.514 1.00 2.68 H new ATOM 0 HH11 ARG A 82 11.817 2.955 5.402 1.00 3.20 H new ATOM 0 HH12 ARG A 82 12.305 1.502 6.280 1.00 3.20 H new ATOM 0 HH21 ARG A 82 15.206 2.971 7.642 1.00 3.90 H new ATOM 0 HH22 ARG A 82 14.217 1.511 7.543 1.00 3.90 H new ATOM 1249 N VAL A 83 12.811 9.771 6.064 1.00 1.01 N ATOM 1250 CA VAL A 83 13.358 10.464 7.213 1.00 1.24 C ATOM 1251 C VAL A 83 13.078 9.702 8.503 1.00 1.17 C ATOM 1252 O VAL A 83 12.014 9.832 9.108 1.00 1.65 O ATOM 1253 CB VAL A 83 12.795 11.888 7.286 1.00 1.94 C ATOM 1254 CG1 VAL A 83 13.542 12.712 8.323 1.00 2.77 C ATOM 1255 CG2 VAL A 83 12.869 12.532 5.905 1.00 2.45 C ATOM 0 H VAL A 83 11.821 9.538 6.136 1.00 1.01 H new ATOM 0 HA VAL A 83 14.440 10.521 7.095 1.00 1.24 H new ATOM 0 HB VAL A 83 11.751 11.848 7.598 1.00 1.94 H new ATOM 0 HG11 VAL A 83 13.125 13.719 8.357 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.440 12.244 9.302 1.00 2.77 H new ATOM 0 HG13 VAL A 83 14.597 12.765 8.054 1.00 2.77 H new ATOM 0 HG21 VAL A 83 12.469 13.545 5.954 1.00 2.45 H new ATOM 0 HG22 VAL A 83 13.907 12.567 5.575 1.00 2.45 H new ATOM 0 HG23 VAL A 83 12.283 11.945 5.198 1.00 2.45 H new ATOM 1265 N ARG A 84 14.057 8.891 8.892 1.00 1.26 N ATOM 1266 CA ARG A 84 13.982 8.059 10.089 1.00 1.64 C ATOM 1267 C ARG A 84 13.411 8.804 11.291 1.00 1.64 C ATOM 1268 O ARG A 84 14.044 9.700 11.852 1.00 2.28 O ATOM 1269 CB ARG A 84 15.368 7.503 10.414 1.00 2.64 C ATOM 1270 CG ARG A 84 16.458 8.560 10.426 1.00 3.46 C ATOM 1271 CD ARG A 84 17.839 7.930 10.514 1.00 4.08 C ATOM 1272 NE ARG A 84 18.016 7.160 11.744 1.00 4.79 N ATOM 1273 CZ ARG A 84 17.974 7.692 12.965 1.00 5.36 C ATOM 1274 NH1 ARG A 84 17.775 8.995 13.125 1.00 5.36 N ATOM 1275 NH2 ARG A 84 18.132 6.919 14.030 1.00 6.26 N ATOM 0 H ARG A 84 14.934 8.792 8.380 1.00 1.26 H new ATOM 0 HA ARG A 84 13.294 7.241 9.876 1.00 1.64 H new ATOM 0 HB2 ARG A 84 15.336 7.015 11.388 1.00 2.64 H new ATOM 0 HB3 ARG A 84 15.624 6.737 9.682 1.00 2.64 H new ATOM 0 HG2 ARG A 84 16.390 9.166 9.523 1.00 3.46 H new ATOM 0 HG3 ARG A 84 16.308 9.231 11.272 1.00 3.46 H new ATOM 0 HD2 ARG A 84 17.995 7.279 9.654 1.00 4.08 H new ATOM 0 HD3 ARG A 84 18.597 8.712 10.464 1.00 4.08 H new ATOM 0 HE ARG A 84 18.181 6.157 11.663 1.00 4.79 H new ATOM 0 HH11 ARG A 84 17.653 9.596 12.310 1.00 5.36 H new ATOM 0 HH12 ARG A 84 17.744 9.395 14.063 1.00 5.36 H new ATOM 0 HH21 ARG A 84 18.286 5.917 13.915 1.00 6.26 H new ATOM 0 HH22 ARG A 84 18.100 7.326 14.965 1.00 6.26 H new ATOM 1289 N LYS A 85 12.212 8.393 11.684 1.00 1.79 N ATOM 1290 CA LYS A 85 11.512 8.964 12.830 1.00 2.53 C ATOM 1291 C LYS A 85 10.634 7.888 13.454 1.00 2.61 C ATOM 1292 O LYS A 85 10.549 6.781 12.923 1.00 3.08 O ATOM 1293 CB LYS A 85 10.656 10.159 12.403 1.00 3.13 C ATOM 1294 CG LYS A 85 11.462 11.322 11.843 1.00 3.58 C ATOM 1295 CD LYS A 85 10.560 12.456 11.378 1.00 4.39 C ATOM 1296 CE LYS A 85 9.759 13.045 12.528 1.00 5.02 C ATOM 1297 NZ LYS A 85 8.863 14.145 12.073 1.00 5.50 N ATOM 0 H LYS A 85 11.694 7.650 11.215 1.00 1.79 H new ATOM 0 HA LYS A 85 12.242 9.317 13.558 1.00 2.53 H new ATOM 0 HB2 LYS A 85 9.939 9.830 11.651 1.00 3.13 H new ATOM 0 HB3 LYS A 85 10.081 10.507 13.261 1.00 3.13 H new ATOM 0 HG2 LYS A 85 12.148 11.691 12.606 1.00 3.58 H new ATOM 0 HG3 LYS A 85 12.071 10.975 11.008 1.00 3.58 H new ATOM 0 HD2 LYS A 85 11.165 13.237 10.918 1.00 4.39 H new ATOM 0 HD3 LYS A 85 9.879 12.088 10.611 1.00 4.39 H new ATOM 0 HE2 LYS A 85 9.163 12.261 12.995 1.00 5.02 H new ATOM 0 HE3 LYS A 85 10.441 13.423 13.290 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 8.334 14.521 12.886 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 9.433 14.905 11.650 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 8.195 13.778 11.365 1.00 5.50 H new ATOM 1311 N ALA A 86 9.979 8.193 14.569 1.00 2.48 N ATOM 1312 CA ALA A 86 9.122 7.201 15.201 1.00 2.58 C ATOM 1313 C ALA A 86 7.930 6.893 14.304 1.00 2.00 C ATOM 1314 O ALA A 86 7.051 7.732 14.113 1.00 1.95 O ATOM 1315 CB ALA A 86 8.656 7.690 16.565 1.00 3.19 C ATOM 0 H ALA A 86 10.023 9.095 15.043 1.00 2.48 H new ATOM 0 HA ALA A 86 9.694 6.285 15.346 1.00 2.58 H new ATOM 0 HB1 ALA A 86 8.016 6.936 17.023 1.00 3.19 H new ATOM 0 HB2 ALA A 86 9.522 7.868 17.203 1.00 3.19 H new ATOM 0 HB3 ALA A 86 8.096 8.618 16.447 1.00 3.19 H new ATOM 1321 N GLU A 87 7.914 5.683 13.754 1.00 2.01 N ATOM 1322 CA GLU A 87 6.841 5.248 12.870 1.00 1.67 C ATOM 1323 C GLU A 87 6.247 3.922 13.344 1.00 1.90 C ATOM 1324 O GLU A 87 6.842 2.865 13.141 1.00 2.39 O ATOM 1325 CB GLU A 87 7.372 5.131 11.434 1.00 2.04 C ATOM 1326 CG GLU A 87 6.331 4.718 10.401 1.00 2.47 C ATOM 1327 CD GLU A 87 5.924 3.261 10.510 1.00 3.23 C ATOM 1328 OE1 GLU A 87 6.806 2.387 10.384 1.00 3.66 O ATOM 1329 OE2 GLU A 87 4.722 2.995 10.722 1.00 3.80 O ATOM 0 H GLU A 87 8.639 4.982 13.907 1.00 2.01 H new ATOM 0 HA GLU A 87 6.043 5.990 12.891 1.00 1.67 H new ATOM 0 HB2 GLU A 87 7.796 6.091 11.139 1.00 2.04 H new ATOM 0 HB3 GLU A 87 8.185 4.406 11.420 1.00 2.04 H new ATOM 0 HG2 GLU A 87 5.447 5.345 10.516 1.00 2.47 H new ATOM 0 HG3 GLU A 87 6.726 4.904 9.402 1.00 2.47 H new ATOM 1336 N ARG A 88 5.071 3.973 13.965 1.00 1.97 N ATOM 1337 CA ARG A 88 4.418 2.755 14.437 1.00 2.47 C ATOM 1338 C ARG A 88 3.279 2.364 13.499 1.00 2.28 C ATOM 1339 O ARG A 88 3.266 1.263 12.948 1.00 2.54 O ATOM 1340 CB ARG A 88 3.885 2.927 15.861 1.00 2.97 C ATOM 1341 CG ARG A 88 4.963 3.202 16.899 1.00 3.30 C ATOM 1342 CD ARG A 88 5.357 4.670 16.925 1.00 3.95 C ATOM 1343 NE ARG A 88 4.228 5.526 17.276 1.00 4.47 N ATOM 1344 CZ ARG A 88 4.324 6.840 17.462 1.00 5.01 C ATOM 1345 NH1 ARG A 88 5.498 7.446 17.345 1.00 5.17 N ATOM 1346 NH2 ARG A 88 3.245 7.546 17.769 1.00 5.74 N ATOM 0 H ARG A 88 4.556 4.833 14.151 1.00 1.97 H new ATOM 0 HA ARG A 88 5.164 1.960 14.445 1.00 2.47 H new ATOM 0 HB2 ARG A 88 3.167 3.747 15.872 1.00 2.97 H new ATOM 0 HB3 ARG A 88 3.343 2.025 16.146 1.00 2.97 H new ATOM 0 HG2 ARG A 88 4.604 2.904 17.884 1.00 3.30 H new ATOM 0 HG3 ARG A 88 5.841 2.593 16.682 1.00 3.30 H new ATOM 0 HD2 ARG A 88 6.163 4.818 17.644 1.00 3.95 H new ATOM 0 HD3 ARG A 88 5.744 4.960 15.948 1.00 3.95 H new ATOM 0 HE ARG A 88 3.312 5.091 17.385 1.00 4.47 H new ATOM 0 HH11 ARG A 88 6.330 6.905 17.112 1.00 5.17 H new ATOM 0 HH12 ARG A 88 5.568 8.453 17.488 1.00 5.17 H new ATOM 0 HH21 ARG A 88 2.342 7.082 17.863 1.00 5.74 H new ATOM 0 HH22 ARG A 88 3.318 8.553 17.912 1.00 5.74 H new ATOM 1360 N TRP A 89 2.339 3.285 13.307 1.00 1.98 N ATOM 1361 CA TRP A 89 1.205 3.050 12.417 1.00 1.91 C ATOM 1362 C TRP A 89 1.188 4.083 11.296 1.00 1.60 C ATOM 1363 O TRP A 89 0.788 3.788 10.170 1.00 1.71 O ATOM 1364 CB TRP A 89 -0.120 3.107 13.184 1.00 2.11 C ATOM 1365 CG TRP A 89 -0.215 2.110 14.298 1.00 2.00 C ATOM 1366 CD1 TRP A 89 -0.677 0.829 14.212 1.00 2.28 C ATOM 1367 CD2 TRP A 89 0.128 2.322 15.671 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -0.620 0.223 15.444 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -0.131 1.121 16.356 1.00 2.74 C ATOM 1370 CE3 TRP A 89 0.640 3.408 16.385 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 0.101 0.977 17.721 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 0.869 3.265 17.741 1.00 3.33 C ATOM 1373 CH2 TRP A 89 0.600 2.056 18.396 1.00 3.70 C ATOM 0 H TRP A 89 2.340 4.201 13.755 1.00 1.98 H new ATOM 0 HA TRP A 89 1.318 2.053 11.991 1.00 1.91 H new ATOM 0 HB2 TRP A 89 -0.250 4.109 13.593 1.00 2.11 H new ATOM 0 HB3 TRP A 89 -0.941 2.939 12.487 1.00 2.11 H new ATOM 0 HD1 TRP A 89 -1.035 0.360 13.308 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -0.896 -0.738 15.646 1.00 2.69 H new ATOM 0 HE3 TRP A 89 0.853 4.342 15.887 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -0.106 0.046 18.228 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 1.262 4.099 18.304 1.00 3.33 H new ATOM 0 HH2 TRP A 89 0.791 1.975 19.456 1.00 3.70 H new ATOM 1384 N GLY A 90 1.623 5.296 11.619 1.00 1.35 N ATOM 1385 CA GLY A 90 1.650 6.364 10.638 1.00 1.15 C ATOM 1386 C GLY A 90 2.764 6.199 9.625 1.00 1.08 C ATOM 1387 O GLY A 90 3.543 5.250 9.704 1.00 1.29 O ATOM 0 H GLY A 90 1.958 5.559 12.546 1.00 1.35 H new ATOM 0 HA2 GLY A 90 0.693 6.398 10.117 1.00 1.15 H new ATOM 0 HA3 GLY A 90 1.768 7.319 11.150 1.00 1.15 H new ATOM 1391 N PRO A 91 2.854 7.106 8.638 1.00 0.96 N ATOM 1392 CA PRO A 91 3.867 7.050 7.590 1.00 1.07 C ATOM 1393 C PRO A 91 5.191 7.716 7.976 1.00 1.17 C ATOM 1394 O PRO A 91 6.260 7.165 7.718 1.00 1.60 O ATOM 1395 CB PRO A 91 3.219 7.815 6.424 1.00 1.09 C ATOM 1396 CG PRO A 91 1.926 8.377 6.944 1.00 1.09 C ATOM 1397 CD PRO A 91 1.960 8.247 8.440 1.00 0.91 C ATOM 0 HA PRO A 91 4.134 6.018 7.364 1.00 1.07 H new ATOM 0 HB2 PRO A 91 3.874 8.612 6.072 1.00 1.09 H new ATOM 0 HB3 PRO A 91 3.041 7.152 5.577 1.00 1.09 H new ATOM 0 HG2 PRO A 91 1.813 9.421 6.650 1.00 1.09 H new ATOM 0 HG3 PRO A 91 1.076 7.836 6.529 1.00 1.09 H new ATOM 0 HD2 PRO A 91 2.342 9.149 8.917 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.969 8.063 8.854 1.00 0.91 H new ATOM 1405 N ARG A 92 5.114 8.915 8.562 1.00 0.93 N ATOM 1406 CA ARG A 92 6.310 9.671 8.948 1.00 1.03 C ATOM 1407 C ARG A 92 7.071 10.115 7.693 1.00 1.13 C ATOM 1408 O ARG A 92 8.116 10.759 7.766 1.00 1.95 O ATOM 1409 CB ARG A 92 7.177 8.849 9.927 1.00 1.21 C ATOM 1410 CG ARG A 92 8.668 8.794 9.618 1.00 1.04 C ATOM 1411 CD ARG A 92 8.995 7.651 8.674 1.00 1.71 C ATOM 1412 NE ARG A 92 10.424 7.362 8.642 1.00 2.57 N ATOM 1413 CZ ARG A 92 10.949 6.302 8.037 1.00 3.53 C ATOM 1414 NH1 ARG A 92 10.167 5.441 7.400 1.00 3.96 N ATOM 1415 NH2 ARG A 92 12.258 6.104 8.069 1.00 4.39 N ATOM 0 H ARG A 92 4.235 9.384 8.780 1.00 0.93 H new ATOM 0 HA ARG A 92 6.021 10.576 9.483 1.00 1.03 H new ATOM 0 HB2 ARG A 92 7.049 9.261 10.928 1.00 1.21 H new ATOM 0 HB3 ARG A 92 6.794 7.829 9.951 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.984 9.737 9.173 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.229 8.675 10.545 1.00 1.04 H new ATOM 0 HD2 ARG A 92 8.451 6.758 8.983 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.653 7.901 7.670 1.00 1.71 H new ATOM 0 HE ARG A 92 11.056 8.011 9.111 1.00 2.57 H new ATOM 0 HH11 ARG A 92 9.158 5.591 7.373 1.00 3.96 H new ATOM 0 HH12 ARG A 92 10.574 4.629 6.937 1.00 3.96 H new ATOM 0 HH21 ARG A 92 12.862 6.765 8.558 1.00 4.39 H new ATOM 0 HH22 ARG A 92 12.662 5.291 7.605 1.00 4.39 H new ATOM 1429 N THR A 93 6.473 9.777 6.549 1.00 0.94 N ATOM 1430 CA THR A 93 6.972 10.101 5.207 1.00 0.91 C ATOM 1431 C THR A 93 6.307 9.170 4.202 1.00 0.83 C ATOM 1432 O THR A 93 5.216 9.446 3.721 1.00 1.08 O ATOM 1433 CB THR A 93 8.501 9.982 5.079 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.027 9.064 6.020 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.229 11.301 5.238 1.00 1.47 C ATOM 0 H THR A 93 5.598 9.252 6.528 1.00 0.94 H new ATOM 0 HA THR A 93 6.723 11.144 5.011 1.00 0.91 H new ATOM 0 HB THR A 93 8.670 9.625 4.063 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.968 8.887 5.813 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.302 11.139 5.136 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.892 11.997 4.470 1.00 1.47 H new ATOM 0 HG23 THR A 93 9.017 11.717 6.223 1.00 1.47 H new ATOM 1443 N LEU A 94 6.953 8.044 3.921 1.00 0.68 N ATOM 1444 CA LEU A 94 6.397 7.057 3.001 1.00 0.64 C ATOM 1445 C LEU A 94 6.358 5.697 3.674 1.00 0.56 C ATOM 1446 O LEU A 94 7.052 5.465 4.666 1.00 0.71 O ATOM 1447 CB LEU A 94 7.197 6.988 1.695 1.00 0.72 C ATOM 1448 CG LEU A 94 8.639 6.498 1.822 1.00 1.00 C ATOM 1449 CD1 LEU A 94 9.209 6.221 0.441 1.00 1.44 C ATOM 1450 CD2 LEU A 94 9.496 7.521 2.551 1.00 1.87 C ATOM 0 H LEU A 94 7.859 7.792 4.315 1.00 0.68 H new ATOM 0 HA LEU A 94 5.383 7.363 2.744 1.00 0.64 H new ATOM 0 HB2 LEU A 94 6.670 6.331 1.003 1.00 0.72 H new ATOM 0 HB3 LEU A 94 7.209 7.981 1.246 1.00 0.72 H new ATOM 0 HG LEU A 94 8.645 5.577 2.404 1.00 1.00 H new ATOM 0 HD11 LEU A 94 10.237 5.872 0.535 1.00 1.44 H new ATOM 0 HD12 LEU A 94 8.610 5.456 -0.053 1.00 1.44 H new ATOM 0 HD13 LEU A 94 9.189 7.136 -0.151 1.00 1.44 H new ATOM 0 HD21 LEU A 94 10.518 7.150 2.629 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.492 8.460 1.997 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.093 7.688 3.550 1.00 1.87 H new ATOM 1462 N ASP A 95 5.540 4.806 3.141 1.00 0.52 N ATOM 1463 CA ASP A 95 5.402 3.475 3.702 1.00 0.53 C ATOM 1464 C ASP A 95 4.625 2.587 2.749 1.00 0.46 C ATOM 1465 O ASP A 95 3.461 2.851 2.447 1.00 0.59 O ATOM 1466 CB ASP A 95 4.693 3.543 5.058 1.00 0.73 C ATOM 1467 CG ASP A 95 4.494 2.178 5.682 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.769 1.354 5.086 1.00 1.64 O ATOM 1469 OD2 ASP A 95 5.063 1.931 6.767 1.00 1.72 O ATOM 0 H ASP A 95 4.961 4.981 2.320 1.00 0.52 H new ATOM 0 HA ASP A 95 6.395 3.050 3.848 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.275 4.167 5.737 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.724 4.026 4.933 1.00 0.73 H new ATOM 1474 N LEU A 96 5.274 1.539 2.271 1.00 0.38 N ATOM 1475 CA LEU A 96 4.638 0.620 1.347 1.00 0.36 C ATOM 1476 C LEU A 96 4.628 -0.798 1.917 1.00 0.40 C ATOM 1477 O LEU A 96 5.639 -1.500 1.892 1.00 0.53 O ATOM 1478 CB LEU A 96 5.329 0.672 -0.032 1.00 0.43 C ATOM 1479 CG LEU A 96 6.774 0.169 -0.111 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.309 0.378 -1.517 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.666 0.877 0.898 1.00 0.89 C ATOM 0 H LEU A 96 6.238 1.305 2.507 1.00 0.38 H new ATOM 0 HA LEU A 96 3.601 0.927 1.210 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.730 0.090 -0.732 1.00 0.43 H new ATOM 0 HB3 LEU A 96 5.311 1.705 -0.380 1.00 0.43 H new ATOM 0 HG LEU A 96 6.779 -0.894 0.130 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.337 0.020 -1.572 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.694 -0.175 -2.226 1.00 0.97 H new ATOM 0 HD13 LEU A 96 7.281 1.440 -1.763 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.684 0.496 0.814 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.662 1.949 0.698 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.292 0.695 1.905 1.00 0.89 H new ATOM 1493 N ASP A 97 3.468 -1.208 2.435 1.00 0.38 N ATOM 1494 CA ASP A 97 3.312 -2.536 3.012 1.00 0.44 C ATOM 1495 C ASP A 97 2.362 -3.389 2.179 1.00 0.39 C ATOM 1496 O ASP A 97 1.456 -2.875 1.522 1.00 0.40 O ATOM 1497 CB ASP A 97 2.809 -2.464 4.457 1.00 0.55 C ATOM 1498 CG ASP A 97 3.825 -1.851 5.399 1.00 1.14 C ATOM 1499 OD1 ASP A 97 4.980 -2.323 5.416 1.00 1.93 O ATOM 1500 OD2 ASP A 97 3.470 -0.886 6.107 1.00 1.45 O ATOM 0 H ASP A 97 2.625 -0.635 2.464 1.00 0.38 H new ATOM 0 HA ASP A 97 4.297 -3.002 3.011 1.00 0.44 H new ATOM 0 HB2 ASP A 97 1.890 -1.878 4.489 1.00 0.55 H new ATOM 0 HB3 ASP A 97 2.560 -3.468 4.801 1.00 0.55 H new ATOM 1505 N ILE A 98 2.580 -4.698 2.221 1.00 0.39 N ATOM 1506 CA ILE A 98 1.758 -5.643 1.485 1.00 0.36 C ATOM 1507 C ILE A 98 0.393 -5.788 2.145 1.00 0.35 C ATOM 1508 O ILE A 98 0.289 -6.144 3.319 1.00 0.53 O ATOM 1509 CB ILE A 98 2.468 -7.017 1.357 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.272 -7.074 0.056 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.471 -8.167 1.423 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.425 -6.938 -1.192 1.00 1.20 C ATOM 0 H ILE A 98 3.328 -5.130 2.764 1.00 0.39 H new ATOM 0 HA ILE A 98 1.609 -5.255 0.477 1.00 0.36 H new ATOM 0 HB ILE A 98 3.151 -7.126 2.200 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.018 -6.280 0.066 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.813 -8.019 0.015 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.002 -9.114 1.330 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.945 -8.138 2.377 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.752 -8.073 0.609 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.065 -6.988 -2.073 1.00 1.20 H new ATOM 0 HD12 ILE A 98 1.696 -7.747 -1.227 1.00 1.20 H new ATOM 0 HD13 ILE A 98 1.904 -5.981 -1.176 1.00 1.20 H new ATOM 1524 N MET A 99 -0.648 -5.484 1.381 1.00 0.32 N ATOM 1525 CA MET A 99 -2.016 -5.549 1.879 1.00 0.36 C ATOM 1526 C MET A 99 -2.791 -6.689 1.228 1.00 0.33 C ATOM 1527 O MET A 99 -3.863 -7.065 1.695 1.00 0.37 O ATOM 1528 CB MET A 99 -2.734 -4.221 1.636 1.00 0.43 C ATOM 1529 CG MET A 99 -1.968 -3.014 2.156 1.00 0.68 C ATOM 1530 SD MET A 99 -1.503 -3.172 3.892 1.00 1.56 S ATOM 1531 CE MET A 99 -3.109 -3.294 4.675 1.00 2.37 C ATOM 0 H MET A 99 -0.570 -5.188 0.408 1.00 0.32 H new ATOM 0 HA MET A 99 -1.971 -5.740 2.951 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.905 -4.100 0.566 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.713 -4.254 2.114 1.00 0.43 H new ATOM 0 HG2 MET A 99 -1.069 -2.874 1.556 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.579 -2.120 2.029 1.00 0.68 H new ATOM 0 HE1 MET A 99 -3.198 -2.526 5.443 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.890 -3.152 3.928 1.00 2.37 H new ATOM 0 HE3 MET A 99 -3.218 -4.278 5.131 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.250 -7.225 0.138 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.904 -8.314 -0.577 1.00 0.30 C ATOM 1543 C LEU A 100 -1.967 -8.963 -1.587 1.00 0.31 C ATOM 1544 O LEU A 100 -1.889 -8.513 -2.730 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.156 -7.790 -1.292 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.476 -8.347 -0.762 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.653 -7.732 -1.504 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.500 -9.863 -0.879 1.00 0.43 C ATOM 0 H LEU A 100 -1.364 -6.924 -0.268 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.187 -9.072 0.154 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.177 -6.703 -1.209 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.078 -8.027 -2.353 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.562 -8.083 0.292 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.584 -8.141 -1.112 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.645 -6.651 -1.366 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.574 -7.963 -2.566 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.448 -10.242 -0.497 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.390 -10.149 -1.925 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.680 -10.286 -0.299 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.262 -10.030 -1.189 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.371 -10.688 -2.133 1.00 0.36 C ATOM 1562 C PHE A 101 -0.975 -11.970 -2.694 1.00 0.38 C ATOM 1563 O PHE A 101 -1.530 -12.791 -1.964 1.00 0.88 O ATOM 1564 CB PHE A 101 1.055 -10.908 -1.580 1.00 0.46 C ATOM 1565 CG PHE A 101 1.265 -11.747 -0.350 1.00 0.70 C ATOM 1566 CD1 PHE A 101 0.569 -12.919 -0.125 1.00 1.10 C ATOM 1567 CD2 PHE A 101 2.257 -11.384 0.546 1.00 1.13 C ATOM 1568 CE1 PHE A 101 0.857 -13.706 0.971 1.00 1.59 C ATOM 1569 CE2 PHE A 101 2.540 -12.162 1.646 1.00 1.59 C ATOM 1570 CZ PHE A 101 1.841 -13.329 1.856 1.00 1.75 C ATOM 0 H PHE A 101 -1.292 -10.439 -0.255 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.259 -9.994 -2.966 1.00 0.36 H new ATOM 0 HB2 PHE A 101 1.648 -11.352 -2.380 1.00 0.46 H new ATOM 0 HB3 PHE A 101 1.479 -9.925 -1.377 1.00 0.46 H new ATOM 0 HD1 PHE A 101 -0.207 -13.222 -0.813 1.00 1.10 H new ATOM 0 HD2 PHE A 101 2.817 -10.476 0.379 1.00 1.13 H new ATOM 0 HE1 PHE A 101 0.308 -14.621 1.135 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.308 -11.858 2.342 1.00 1.59 H new ATOM 0 HZ PHE A 101 2.064 -13.947 2.713 1.00 1.75 H new ATOM 1580 N GLY A 102 -0.867 -12.107 -4.020 1.00 0.58 N ATOM 1581 CA GLY A 102 -1.399 -13.262 -4.730 1.00 0.60 C ATOM 1582 C GLY A 102 -2.577 -13.915 -4.036 1.00 0.73 C ATOM 1583 O GLY A 102 -3.589 -13.268 -3.765 1.00 1.49 O ATOM 0 H GLY A 102 -0.411 -11.422 -4.623 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -1.703 -12.954 -5.730 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -0.606 -14.000 -4.851 1.00 0.60 H new ATOM 1587 N ASN A 103 -2.434 -15.202 -3.752 1.00 0.56 N ATOM 1588 CA ASN A 103 -3.478 -15.966 -3.088 1.00 0.58 C ATOM 1589 C ASN A 103 -2.908 -16.717 -1.896 1.00 0.52 C ATOM 1590 O ASN A 103 -3.493 -17.698 -1.437 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.091 -16.972 -4.056 1.00 0.76 C ATOM 1592 CG ASN A 103 -3.064 -17.979 -4.535 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -2.276 -17.699 -5.438 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.041 -19.144 -3.900 1.00 0.90 N ATOM 0 H ASN A 103 -1.597 -15.742 -3.974 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.244 -15.269 -2.747 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -4.914 -17.494 -3.567 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -4.512 -16.445 -4.912 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -2.351 -19.850 -4.155 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -3.714 -19.333 -3.157 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.762 -16.267 -1.396 1.00 0.43 N ATOM 1602 CA GLU A 104 -1.142 -16.931 -0.264 1.00 0.42 C ATOM 1603 C GLU A 104 -1.280 -16.108 1.004 1.00 0.42 C ATOM 1604 O GLU A 104 -1.783 -14.984 0.979 1.00 0.58 O ATOM 1605 CB GLU A 104 0.327 -17.238 -0.540 1.00 0.51 C ATOM 1606 CG GLU A 104 1.079 -16.103 -1.215 1.00 0.56 C ATOM 1607 CD GLU A 104 0.891 -16.088 -2.718 1.00 1.57 C ATOM 1608 OE1 GLU A 104 1.236 -17.094 -3.369 1.00 2.29 O ATOM 1609 OE2 GLU A 104 0.397 -15.067 -3.245 1.00 2.14 O ATOM 0 H GLU A 104 -1.253 -15.458 -1.752 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.667 -17.874 -0.116 1.00 0.42 H new ATOM 0 HB2 GLU A 104 0.821 -17.478 0.402 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.390 -18.126 -1.168 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.741 -15.153 -0.801 1.00 0.56 H new ATOM 0 HG3 GLU A 104 2.141 -16.190 -0.987 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.836 -16.684 2.114 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.906 -16.027 3.408 1.00 0.56 C ATOM 1618 C VAL A 105 0.248 -16.475 4.298 1.00 0.61 C ATOM 1619 O VAL A 105 0.138 -17.461 5.026 1.00 0.72 O ATOM 1620 CB VAL A 105 -2.243 -16.333 4.116 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -2.242 -15.789 5.537 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.412 -15.762 3.331 1.00 0.67 C ATOM 0 H VAL A 105 -0.420 -17.615 2.141 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.836 -14.953 3.235 1.00 0.56 H new ATOM 0 HB VAL A 105 -2.356 -17.416 4.164 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -3.195 -16.017 6.015 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -1.433 -16.251 6.103 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -2.098 -14.709 5.513 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.344 -15.990 3.849 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.299 -14.681 3.245 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.433 -16.205 2.335 1.00 0.67 H new ATOM 1632 N ILE A 106 1.353 -15.741 4.241 1.00 0.58 N ATOM 1633 CA ILE A 106 2.518 -16.065 5.049 1.00 0.64 C ATOM 1634 C ILE A 106 3.110 -14.801 5.632 1.00 0.61 C ATOM 1635 O ILE A 106 3.823 -14.070 4.951 1.00 0.57 O ATOM 1636 CB ILE A 106 3.619 -16.795 4.243 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.056 -18.017 3.513 1.00 0.76 C ATOM 1638 CG2 ILE A 106 4.760 -17.208 5.161 1.00 1.31 C ATOM 1639 CD1 ILE A 106 2.314 -17.676 2.239 1.00 1.45 C ATOM 0 H ILE A 106 1.465 -14.921 3.645 1.00 0.58 H new ATOM 0 HA ILE A 106 2.174 -16.734 5.837 1.00 0.64 H new ATOM 0 HB ILE A 106 4.001 -16.102 3.493 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.875 -18.696 3.275 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.383 -18.551 4.183 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.527 -17.720 4.580 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.190 -16.322 5.628 1.00 1.31 H new ATOM 0 HG23 ILE A 106 4.382 -17.878 5.933 1.00 1.31 H new ATOM 0 HD11 ILE A 106 1.944 -18.591 1.777 1.00 1.45 H new ATOM 0 HD12 ILE A 106 1.474 -17.022 2.471 1.00 1.45 H new ATOM 0 HD13 ILE A 106 2.989 -17.169 1.549 1.00 1.45 H new ATOM 1651 N ASN A 107 2.823 -14.561 6.897 1.00 0.84 N ATOM 1652 CA ASN A 107 3.340 -13.392 7.573 1.00 0.90 C ATOM 1653 C ASN A 107 4.784 -13.657 7.940 1.00 0.91 C ATOM 1654 O ASN A 107 5.069 -14.443 8.844 1.00 1.02 O ATOM 1655 CB ASN A 107 2.513 -13.090 8.817 1.00 1.09 C ATOM 1656 CG ASN A 107 1.029 -13.284 8.573 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.531 -14.409 8.576 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.327 -12.191 8.315 1.00 1.21 N ATOM 0 H ASN A 107 2.235 -15.161 7.475 1.00 0.84 H new ATOM 0 HA ASN A 107 3.280 -12.522 6.918 1.00 0.90 H new ATOM 0 HB2 ASN A 107 2.834 -13.738 9.632 1.00 1.09 H new ATOM 0 HB3 ASN A 107 2.697 -12.064 9.135 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.669 -12.262 8.108 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.783 -11.278 8.324 1.00 1.21 H new ATOM 1665 N THR A 108 5.696 -13.032 7.214 1.00 0.86 N ATOM 1666 CA THR A 108 7.111 -13.257 7.460 1.00 0.89 C ATOM 1667 C THR A 108 7.678 -12.255 8.460 1.00 0.91 C ATOM 1668 O THR A 108 6.936 -11.639 9.226 1.00 1.16 O ATOM 1669 CB THR A 108 7.880 -13.204 6.144 1.00 0.90 C ATOM 1670 OG1 THR A 108 7.010 -13.444 5.053 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.981 -14.234 6.062 1.00 0.92 C ATOM 0 H THR A 108 5.488 -12.375 6.462 1.00 0.86 H new ATOM 0 HA THR A 108 7.225 -14.248 7.900 1.00 0.89 H new ATOM 0 HB THR A 108 8.318 -12.207 6.101 1.00 0.90 H new ATOM 0 HG1 THR A 108 6.754 -14.390 5.041 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.491 -14.146 5.103 1.00 0.92 H new ATOM 0 HG22 THR A 108 9.695 -14.069 6.869 1.00 0.92 H new ATOM 0 HG23 THR A 108 8.553 -15.232 6.155 1.00 0.92 H new ATOM 1679 N GLU A 109 8.998 -12.110 8.453 1.00 0.83 N ATOM 1680 CA GLU A 109 9.675 -11.192 9.365 1.00 0.86 C ATOM 1681 C GLU A 109 9.193 -9.767 9.148 1.00 0.73 C ATOM 1682 O GLU A 109 8.268 -9.306 9.817 1.00 0.87 O ATOM 1683 CB GLU A 109 11.188 -11.275 9.162 1.00 0.95 C ATOM 1684 CG GLU A 109 11.767 -12.650 9.449 1.00 1.22 C ATOM 1685 CD GLU A 109 11.503 -13.111 10.870 1.00 1.93 C ATOM 1686 OE1 GLU A 109 11.955 -12.424 11.811 1.00 2.60 O ATOM 1687 OE2 GLU A 109 10.846 -14.159 11.041 1.00 2.37 O ATOM 0 H GLU A 109 9.623 -12.617 7.826 1.00 0.83 H new ATOM 0 HA GLU A 109 9.437 -11.482 10.389 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.424 -10.998 8.134 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.673 -10.544 9.808 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.341 -13.372 8.752 1.00 1.22 H new ATOM 0 HG3 GLU A 109 12.842 -12.631 9.271 1.00 1.22 H new ATOM 1694 N ARG A 110 9.804 -9.083 8.189 1.00 0.63 N ATOM 1695 CA ARG A 110 9.415 -7.724 7.864 1.00 0.64 C ATOM 1696 C ARG A 110 8.202 -7.772 6.951 1.00 0.66 C ATOM 1697 O ARG A 110 7.549 -6.760 6.697 1.00 0.77 O ATOM 1698 CB ARG A 110 10.567 -6.981 7.181 1.00 0.63 C ATOM 1699 CG ARG A 110 11.822 -6.883 8.037 1.00 0.86 C ATOM 1700 CD ARG A 110 11.590 -6.037 9.280 1.00 1.64 C ATOM 1701 NE ARG A 110 11.251 -4.653 8.946 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.085 -3.814 8.336 1.00 2.77 C ATOM 1703 NH1 ARG A 110 13.312 -4.205 8.012 1.00 3.01 N ATOM 1704 NH2 ARG A 110 11.694 -2.579 8.055 1.00 3.68 N ATOM 0 H ARG A 110 10.570 -9.450 7.625 1.00 0.63 H new ATOM 0 HA ARG A 110 9.168 -7.186 8.779 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.813 -7.488 6.248 1.00 0.63 H new ATOM 0 HB3 ARG A 110 10.236 -5.976 6.920 1.00 0.63 H new ATOM 0 HG2 ARG A 110 12.141 -7.883 8.332 1.00 0.86 H new ATOM 0 HG3 ARG A 110 12.631 -6.451 7.448 1.00 0.86 H new ATOM 0 HD2 ARG A 110 10.786 -6.475 9.871 1.00 1.64 H new ATOM 0 HD3 ARG A 110 12.486 -6.051 9.901 1.00 1.64 H new ATOM 0 HE ARG A 110 10.323 -4.312 9.195 1.00 2.22 H new ATOM 0 HH11 ARG A 110 13.620 -5.153 8.230 1.00 3.01 H new ATOM 0 HH12 ARG A 110 13.947 -3.558 7.545 1.00 3.01 H new ATOM 0 HH21 ARG A 110 10.754 -2.272 8.306 1.00 3.68 H new ATOM 0 HH22 ARG A 110 12.333 -1.936 7.588 1.00 3.68 H new ATOM 1718 N LEU A 111 7.916 -8.975 6.464 1.00 0.62 N ATOM 1719 CA LEU A 111 6.791 -9.204 5.575 1.00 0.63 C ATOM 1720 C LEU A 111 5.525 -9.547 6.343 1.00 0.56 C ATOM 1721 O LEU A 111 5.538 -10.346 7.279 1.00 0.66 O ATOM 1722 CB LEU A 111 7.100 -10.346 4.597 1.00 0.73 C ATOM 1723 CG LEU A 111 5.971 -10.728 3.626 1.00 0.94 C ATOM 1724 CD1 LEU A 111 4.886 -11.538 4.313 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.368 -9.497 2.971 1.00 1.64 C ATOM 0 H LEU A 111 8.457 -9.813 6.676 1.00 0.62 H new ATOM 0 HA LEU A 111 6.627 -8.277 5.026 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.977 -10.069 4.012 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.369 -11.230 5.175 1.00 0.73 H new ATOM 0 HG LEU A 111 6.418 -11.351 2.852 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.107 -11.788 3.593 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.316 -12.455 4.715 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.455 -10.953 5.125 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.573 -9.800 2.290 1.00 1.64 H new ATOM 0 HD22 LEU A 111 4.958 -8.840 3.738 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.140 -8.966 2.414 1.00 1.64 H new ATOM 1737 N THR A 112 4.429 -8.973 5.887 1.00 0.46 N ATOM 1738 CA THR A 112 3.116 -9.226 6.441 1.00 0.42 C ATOM 1739 C THR A 112 2.122 -9.257 5.302 1.00 0.39 C ATOM 1740 O THR A 112 2.108 -8.353 4.465 1.00 0.43 O ATOM 1741 CB THR A 112 2.718 -8.152 7.455 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.298 -6.904 7.119 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.097 -8.483 8.880 1.00 0.68 C ATOM 0 H THR A 112 4.427 -8.310 5.112 1.00 0.46 H new ATOM 0 HA THR A 112 3.128 -10.180 6.968 1.00 0.42 H new ATOM 0 HB THR A 112 1.630 -8.105 7.404 1.00 0.45 H new ATOM 0 HG1 THR A 112 3.030 -6.231 7.779 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.781 -7.673 9.538 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.606 -9.408 9.182 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.178 -8.607 8.950 1.00 0.68 H new ATOM 1751 N VAL A 113 1.281 -10.273 5.264 1.00 0.36 N ATOM 1752 CA VAL A 113 0.299 -10.352 4.204 1.00 0.38 C ATOM 1753 C VAL A 113 -0.903 -9.528 4.643 1.00 0.32 C ATOM 1754 O VAL A 113 -0.957 -9.149 5.812 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.108 -11.819 3.857 1.00 0.45 C ATOM 1756 CG1 VAL A 113 0.697 -12.808 4.648 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -1.587 -12.098 4.054 1.00 1.18 C ATOM 0 H VAL A 113 1.258 -11.038 5.939 1.00 0.36 H new ATOM 0 HA VAL A 113 0.728 -9.956 3.283 1.00 0.38 H new ATOM 0 HB VAL A 113 0.106 -11.936 2.795 1.00 0.45 H new ATOM 0 HG11 VAL A 113 0.391 -13.820 4.384 1.00 1.52 H new ATOM 0 HG12 VAL A 113 1.756 -12.679 4.422 1.00 1.52 H new ATOM 0 HG13 VAL A 113 0.530 -12.644 5.713 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -1.799 -13.135 3.794 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -1.855 -11.923 5.096 1.00 1.18 H new ATOM 0 HG23 VAL A 113 -2.170 -11.437 3.413 1.00 1.18 H new ATOM 1767 N PRO A 114 -1.889 -9.250 3.759 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.077 -8.501 4.094 1.00 0.36 C ATOM 1769 C PRO A 114 -3.226 -8.259 5.592 1.00 0.33 C ATOM 1770 O PRO A 114 -3.822 -9.059 6.315 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.119 -9.459 3.534 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.481 -9.993 2.271 1.00 0.46 C ATOM 1773 CD PRO A 114 -1.996 -9.670 2.361 1.00 0.42 C ATOM 0 HA PRO A 114 -3.119 -7.485 3.701 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.344 -10.261 4.238 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.058 -8.948 3.322 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.639 -11.068 2.182 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -3.925 -9.532 1.389 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.371 -10.536 2.141 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.702 -8.881 1.669 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.645 -7.148 6.044 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.663 -6.771 7.442 1.00 0.33 C ATOM 1783 C HIS A 115 -4.067 -6.408 7.875 1.00 0.34 C ATOM 1784 O HIS A 115 -4.578 -5.360 7.488 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.726 -5.578 7.654 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.518 -5.204 9.088 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.553 -4.968 9.968 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.379 -5.002 9.789 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -2.058 -4.639 11.148 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.740 -4.655 11.067 1.00 0.67 N ATOM 0 H HIS A 115 -2.150 -6.488 5.444 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.325 -7.615 8.044 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.759 -5.807 7.207 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.128 -4.716 7.121 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.629 -5.096 9.413 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.634 -4.398 12.029 1.00 0.87 H new ATOM 0 HE2 HIS A 115 -0.096 -4.444 11.829 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.678 -7.274 8.681 1.00 0.34 N ATOM 1800 CA TYR A 116 -6.030 -7.032 9.177 1.00 0.42 C ATOM 1801 C TYR A 116 -6.191 -5.569 9.575 1.00 0.43 C ATOM 1802 O TYR A 116 -5.894 -5.184 10.706 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.341 -7.955 10.364 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.129 -8.362 11.190 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.149 -7.430 11.509 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.959 -9.667 11.648 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -3.040 -7.780 12.254 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.853 -10.024 12.395 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.926 -9.136 12.709 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.794 -9.430 13.440 1.00 2.22 O ATOM 0 H TYR A 116 -4.260 -8.147 9.003 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.739 -7.253 8.380 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -7.057 -7.456 11.017 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.826 -8.856 9.988 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.257 -6.411 11.167 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.705 -10.412 11.415 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.278 -7.051 12.488 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.744 -11.046 12.728 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.811 -10.374 13.703 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.632 -4.753 8.618 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.793 -3.323 8.843 1.00 0.50 C ATOM 1822 C ASP A 117 -7.325 -2.634 7.589 1.00 0.52 C ATOM 1823 O ASP A 117 -8.134 -1.709 7.663 1.00 0.73 O ATOM 1824 CB ASP A 117 -5.438 -2.719 9.200 1.00 0.52 C ATOM 1825 CG ASP A 117 -5.564 -1.382 9.907 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -6.135 -0.445 9.309 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -5.089 -1.274 11.056 1.00 0.87 O ATOM 0 H ASP A 117 -6.884 -5.062 7.679 1.00 0.42 H new ATOM 0 HA ASP A 117 -7.505 -3.176 9.655 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.891 -3.413 9.838 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.850 -2.591 8.291 1.00 0.52 H new ATOM 1832 N MET A 118 -6.826 -3.082 6.442 1.00 0.38 N ATOM 1833 CA MET A 118 -7.198 -2.519 5.146 1.00 0.39 C ATOM 1834 C MET A 118 -8.705 -2.523 4.913 1.00 0.38 C ATOM 1835 O MET A 118 -9.264 -1.565 4.378 1.00 0.45 O ATOM 1836 CB MET A 118 -6.525 -3.307 4.022 1.00 0.44 C ATOM 1837 CG MET A 118 -6.975 -4.757 3.926 1.00 0.48 C ATOM 1838 SD MET A 118 -6.257 -5.803 5.204 1.00 1.29 S ATOM 1839 CE MET A 118 -6.856 -7.415 4.700 1.00 2.05 C ATOM 0 H MET A 118 -6.152 -3.846 6.383 1.00 0.38 H new ATOM 0 HA MET A 118 -6.861 -1.482 5.147 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.728 -2.811 3.073 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.445 -3.282 4.171 1.00 0.44 H new ATOM 0 HG2 MET A 118 -8.062 -4.800 3.997 1.00 0.48 H new ATOM 0 HG3 MET A 118 -6.704 -5.152 2.947 1.00 0.48 H new ATOM 0 HE1 MET A 118 -6.479 -8.174 5.386 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.946 -7.420 4.716 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.507 -7.633 3.691 1.00 2.05 H new ATOM 1849 N LYS A 119 -9.347 -3.613 5.292 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.787 -3.763 5.102 1.00 0.47 C ATOM 1851 C LYS A 119 -11.560 -2.916 6.099 1.00 0.50 C ATOM 1852 O LYS A 119 -12.789 -2.877 6.083 1.00 0.80 O ATOM 1853 CB LYS A 119 -11.193 -5.232 5.220 1.00 0.57 C ATOM 1854 CG LYS A 119 -10.074 -6.150 5.681 1.00 0.69 C ATOM 1855 CD LYS A 119 -10.613 -7.497 6.134 1.00 0.80 C ATOM 1856 CE LYS A 119 -9.508 -8.392 6.671 1.00 1.02 C ATOM 1857 NZ LYS A 119 -8.854 -7.803 7.871 1.00 1.93 N ATOM 0 H LYS A 119 -8.896 -4.413 5.735 1.00 0.40 H new ATOM 0 HA LYS A 119 -11.033 -3.414 4.099 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -12.026 -5.313 5.919 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -11.555 -5.577 4.251 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -9.363 -6.296 4.868 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -9.530 -5.680 6.500 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -11.367 -7.346 6.906 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -11.108 -7.991 5.298 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -9.922 -9.368 6.925 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -8.762 -8.555 5.893 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -8.153 -8.472 8.248 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -8.379 -6.916 7.607 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -9.572 -7.608 8.597 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.822 -2.229 6.955 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.412 -1.361 7.960 1.00 0.52 C ATOM 1873 C ASN A 120 -10.915 0.060 7.745 1.00 0.56 C ATOM 1874 O ASN A 120 -10.926 0.880 8.658 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.020 -1.839 9.356 1.00 0.53 C ATOM 1876 CG ASN A 120 -11.164 -3.338 9.519 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -10.097 -3.973 9.984 1.00 2.11 O flip ATOM 1878 ND2 ASN A 120 -12.218 -3.911 9.246 1.00 1.30 N flip ATOM 0 H ASN A 120 -9.803 -2.257 6.973 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.498 -1.387 7.871 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.988 -1.553 9.558 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.641 -1.335 10.097 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -13.011 -3.377 8.891 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -12.298 -4.920 9.375 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.458 0.325 6.524 1.00 0.49 N ATOM 1886 CA ARG A 121 -9.918 1.631 6.160 1.00 0.58 C ATOM 1887 C ARG A 121 -10.149 1.923 4.682 1.00 0.63 C ATOM 1888 O ARG A 121 -9.919 1.064 3.831 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.413 1.665 6.445 1.00 0.64 C ATOM 1890 CG ARG A 121 -8.050 1.563 7.916 1.00 0.91 C ATOM 1891 CD ARG A 121 -7.843 2.938 8.533 1.00 1.24 C ATOM 1892 NE ARG A 121 -9.034 3.778 8.436 1.00 1.84 N ATOM 1893 CZ ARG A 121 -10.099 3.648 9.221 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -10.102 2.753 10.197 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -11.155 4.430 9.037 1.00 3.50 N ATOM 0 H ARG A 121 -10.451 -0.355 5.764 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.430 2.388 6.754 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -7.935 0.846 5.908 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.001 2.591 6.045 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -8.840 1.037 8.452 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.141 0.972 8.028 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.566 2.825 9.581 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -7.010 3.435 8.035 1.00 1.24 H new ATOM 0 HE ARG A 121 -9.049 4.508 7.724 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -9.285 2.161 10.348 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -10.921 2.656 10.797 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -11.149 5.129 8.294 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -11.973 4.332 9.638 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.584 3.141 4.376 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.809 3.515 2.991 1.00 0.61 C ATOM 1911 C GLY A 122 -9.520 3.921 2.311 1.00 0.56 C ATOM 1912 O GLY A 122 -9.523 4.402 1.179 1.00 0.70 O ATOM 0 H GLY A 122 -10.784 3.873 5.058 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.257 2.678 2.455 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.521 4.339 2.946 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.409 3.706 3.011 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.089 4.023 2.492 1.00 0.58 C ATOM 1918 C PHE A 123 -6.603 2.887 1.608 1.00 0.42 C ATOM 1919 O PHE A 123 -5.959 3.104 0.583 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.119 4.260 3.660 1.00 0.84 C ATOM 1921 CG PHE A 123 -4.658 4.276 3.284 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -4.242 4.952 2.148 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -3.710 3.621 4.050 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -2.907 4.977 1.788 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -2.373 3.643 3.694 1.00 2.59 C ATOM 1926 CZ PHE A 123 -1.959 4.293 2.613 1.00 3.31 C ATOM 0 H PHE A 123 -8.402 3.308 3.950 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.137 4.932 1.892 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -6.368 5.211 4.131 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.278 3.483 4.407 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.969 5.465 1.536 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -4.017 3.086 4.936 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -2.586 5.503 0.901 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -1.653 3.122 4.307 1.00 2.59 H new ATOM 0 HZ PHE A 123 -0.910 4.305 2.357 1.00 3.31 H new ATOM 1936 N MET A 124 -6.933 1.674 2.020 1.00 0.37 N ATOM 1937 CA MET A 124 -6.551 0.481 1.281 1.00 0.38 C ATOM 1938 C MET A 124 -7.612 0.092 0.255 1.00 0.38 C ATOM 1939 O MET A 124 -7.352 0.059 -0.945 1.00 0.57 O ATOM 1940 CB MET A 124 -6.311 -0.688 2.239 1.00 0.50 C ATOM 1941 CG MET A 124 -5.147 -0.475 3.196 1.00 0.90 C ATOM 1942 SD MET A 124 -5.492 0.755 4.465 1.00 1.99 S ATOM 1943 CE MET A 124 -4.045 0.579 5.505 1.00 2.44 C ATOM 0 H MET A 124 -7.468 1.489 2.868 1.00 0.37 H new ATOM 0 HA MET A 124 -5.628 0.710 0.749 1.00 0.38 H new ATOM 0 HB2 MET A 124 -7.218 -0.861 2.819 1.00 0.50 H new ATOM 0 HB3 MET A 124 -6.128 -1.591 1.656 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.900 -1.423 3.675 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.269 -0.166 2.628 1.00 0.90 H new ATOM 0 HE1 MET A 124 -4.066 1.336 6.289 1.00 2.44 H new ATOM 0 HE2 MET A 124 -4.041 -0.412 5.958 1.00 2.44 H new ATOM 0 HE3 MET A 124 -3.146 0.706 4.902 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.800 -0.229 0.754 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.920 -0.664 -0.080 1.00 0.41 C ATOM 1955 C LEU A 125 -10.210 0.251 -1.270 1.00 0.34 C ATOM 1956 O LEU A 125 -10.266 -0.216 -2.403 1.00 0.40 O ATOM 1957 CB LEU A 125 -11.186 -0.789 0.776 1.00 0.53 C ATOM 1958 CG LEU A 125 -11.139 -1.858 1.869 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.490 -1.987 2.551 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.702 -3.200 1.298 1.00 0.76 C ATOM 0 H LEU A 125 -9.017 -0.196 1.750 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.625 -1.628 -0.494 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.384 0.175 1.244 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -12.028 -1.003 0.118 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.404 -1.548 2.612 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -12.435 -2.752 3.325 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.762 -1.033 3.003 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -13.244 -2.268 1.815 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.676 -3.943 2.095 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -11.408 -3.516 0.530 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.708 -3.103 0.860 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.447 1.530 -1.009 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.794 2.469 -2.076 1.00 0.32 C ATOM 1974 C TRP A 126 -9.803 2.427 -3.250 1.00 0.29 C ATOM 1975 O TRP A 126 -10.203 2.145 -4.380 1.00 0.31 O ATOM 1976 CB TRP A 126 -10.926 3.891 -1.523 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.270 4.914 -2.563 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.800 6.192 -2.629 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.151 4.752 -3.687 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.338 6.838 -3.714 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.168 5.976 -4.380 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -12.928 3.695 -4.172 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -12.926 6.171 -5.533 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.680 3.889 -5.316 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.675 5.120 -5.985 1.00 1.93 C ATOM 0 H TRP A 126 -10.407 1.942 -0.077 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.759 2.154 -2.472 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.694 3.900 -0.749 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -9.988 4.174 -1.045 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.105 6.632 -1.929 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.150 7.804 -3.981 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -12.940 2.743 -3.662 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -12.922 7.119 -6.051 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.281 3.078 -5.700 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.274 5.241 -6.875 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.501 2.713 -3.027 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.501 2.706 -4.105 1.00 0.29 C ATOM 1998 C PRO A 127 -7.211 1.308 -4.651 1.00 0.28 C ATOM 1999 O PRO A 127 -7.121 1.118 -5.862 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.244 3.286 -3.444 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.719 3.914 -2.182 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.894 3.090 -1.741 1.00 0.29 C ATOM 0 HA PRO A 127 -7.852 3.274 -4.967 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.510 2.506 -3.243 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.762 4.019 -4.091 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.935 3.916 -1.425 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.007 4.953 -2.345 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.587 2.218 -1.163 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.582 3.661 -1.117 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.064 0.334 -3.755 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.781 -1.041 -4.157 1.00 0.26 C ATOM 2012 C LEU A 128 -7.880 -1.553 -5.076 1.00 0.27 C ATOM 2013 O LEU A 128 -7.627 -2.271 -6.043 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.702 -1.935 -2.921 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.560 -2.937 -2.889 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.226 -2.217 -2.776 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.750 -3.899 -1.724 1.00 0.44 C ATOM 0 H LEU A 128 -7.136 0.472 -2.747 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.828 -1.063 -4.686 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.622 -1.297 -2.041 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.641 -2.482 -2.834 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.561 -3.506 -3.818 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.418 -2.949 -2.754 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.095 -1.557 -3.634 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.207 -1.628 -1.859 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.928 -4.615 -1.706 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.764 -3.339 -0.789 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.693 -4.432 -1.842 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.104 -1.162 -4.749 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.295 -1.545 -5.509 1.00 0.30 C ATOM 2031 C PHE A 129 -10.134 -1.169 -6.986 1.00 0.30 C ATOM 2032 O PHE A 129 -10.915 -1.586 -7.834 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.519 -0.832 -4.921 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.812 -1.114 -5.633 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.382 -2.376 -5.582 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.457 -0.121 -6.350 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.569 -2.642 -6.235 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.648 -0.380 -7.004 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.205 -1.626 -6.953 1.00 0.58 C ATOM 0 H PHE A 129 -9.304 -0.567 -3.945 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.429 -2.625 -5.441 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.625 -1.123 -3.876 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.339 0.243 -4.936 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.892 -3.161 -5.025 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -13.025 0.868 -6.399 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.003 -3.630 -6.191 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.140 0.406 -7.557 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.134 -1.825 -7.466 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.130 -0.350 -7.277 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.877 0.103 -8.636 1.00 0.31 C ATOM 2051 C GLU A 130 -7.678 -0.606 -9.253 1.00 0.29 C ATOM 2052 O GLU A 130 -7.650 -0.850 -10.460 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.648 1.618 -8.656 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.425 2.188 -10.050 1.00 0.93 C ATOM 2055 CD GLU A 130 -9.632 2.023 -10.956 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -10.010 0.865 -11.237 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -10.198 3.049 -11.385 1.00 1.52 O ATOM 0 H GLU A 130 -8.476 0.015 -6.585 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.757 -0.141 -9.231 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.509 2.112 -8.205 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.784 1.854 -8.035 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -8.180 3.247 -9.969 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -7.565 1.696 -10.505 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.676 -0.922 -8.433 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.478 -1.583 -8.941 1.00 0.27 C ATOM 2066 C ILE A 131 -5.777 -3.022 -9.319 1.00 0.27 C ATOM 2067 O ILE A 131 -5.174 -3.571 -10.242 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.336 -1.549 -7.908 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.552 -2.576 -6.786 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.235 -0.156 -7.323 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.361 -2.730 -5.867 1.00 0.59 C ATOM 0 H ILE A 131 -6.670 -0.734 -7.430 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.159 -1.037 -9.829 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.408 -1.810 -8.416 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.419 -2.280 -6.196 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.784 -3.544 -7.231 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.428 -0.126 -6.591 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.029 0.559 -8.119 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.175 0.104 -6.837 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.587 -3.471 -5.100 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.496 -3.057 -6.444 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.141 -1.773 -5.393 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.739 -3.608 -8.619 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.166 -4.978 -8.885 1.00 0.25 C ATOM 2085 C ALA A 132 -8.105 -5.487 -7.798 1.00 0.23 C ATOM 2086 O ALA A 132 -7.673 -6.120 -6.842 1.00 0.28 O ATOM 2087 CB ALA A 132 -5.968 -5.911 -9.020 1.00 0.30 C ATOM 0 H ALA A 132 -7.242 -3.153 -7.857 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.708 -4.969 -9.831 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.317 -6.925 -9.218 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.338 -5.577 -9.844 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.392 -5.900 -8.095 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.407 -5.211 -7.926 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.405 -5.629 -6.955 1.00 0.31 C ATOM 2095 C PRO A 133 -11.079 -6.942 -7.337 1.00 0.35 C ATOM 2096 O PRO A 133 -12.125 -7.299 -6.794 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.379 -4.478 -7.042 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.438 -4.204 -8.509 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.036 -4.449 -9.024 1.00 0.29 C ATOM 0 HA PRO A 133 -9.998 -5.821 -5.962 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.357 -4.744 -6.641 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.030 -3.610 -6.482 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.157 -4.859 -9.002 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.754 -3.179 -8.704 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.041 -5.014 -9.956 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.509 -3.515 -9.221 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.459 -7.664 -8.261 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.980 -8.950 -8.705 1.00 0.37 C ATOM 2109 C GLU A 134 -10.233 -10.038 -7.968 1.00 0.37 C ATOM 2110 O GLU A 134 -10.286 -11.217 -8.311 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.813 -9.109 -10.219 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.370 -9.017 -10.689 1.00 0.46 C ATOM 2113 CD GLU A 134 -9.240 -9.133 -12.195 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.814 -8.283 -12.908 1.00 0.87 O ATOM 2115 OE2 GLU A 134 -8.563 -10.074 -12.660 1.00 1.14 O ATOM 0 H GLU A 134 -9.593 -7.380 -8.718 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.046 -9.016 -8.487 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.223 -10.072 -10.521 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.399 -8.341 -10.723 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.945 -8.067 -10.363 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.786 -9.806 -10.216 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.523 -9.589 -6.946 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.718 -10.447 -6.107 1.00 0.35 C ATOM 2124 C LEU A 135 -9.581 -11.148 -5.074 1.00 0.34 C ATOM 2125 O LEU A 135 -10.498 -10.552 -4.518 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.675 -9.586 -5.405 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.430 -10.305 -4.895 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -6.761 -11.216 -3.725 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -5.760 -11.093 -6.011 1.00 1.41 C ATOM 0 H LEU A 135 -9.492 -8.606 -6.676 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.236 -11.209 -6.720 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.359 -8.803 -6.095 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.154 -9.092 -4.560 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.732 -9.545 -4.545 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -5.854 -11.714 -3.384 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.179 -10.625 -2.910 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -7.489 -11.964 -4.041 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -4.875 -11.596 -5.621 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.457 -11.835 -6.401 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.468 -10.413 -6.811 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.267 -12.403 -4.807 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.002 -13.173 -3.821 1.00 0.38 C ATOM 2143 C VAL A 136 -9.045 -13.899 -2.890 1.00 0.42 C ATOM 2144 O VAL A 136 -8.199 -14.677 -3.332 1.00 0.53 O ATOM 2145 CB VAL A 136 -10.966 -14.181 -4.483 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.251 -14.984 -5.560 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.575 -15.107 -3.440 1.00 0.44 C ATOM 0 H VAL A 136 -8.507 -12.911 -5.260 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.601 -12.471 -3.241 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.772 -13.620 -4.955 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.949 -15.688 -6.013 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.870 -14.308 -6.325 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.421 -15.532 -5.114 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.251 -15.809 -3.927 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -10.782 -15.658 -2.935 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.129 -14.518 -2.709 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.184 -13.639 -1.594 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.334 -14.266 -0.600 1.00 0.53 C ATOM 2159 C PHE A 137 -8.496 -15.776 -0.672 1.00 0.57 C ATOM 2160 O PHE A 137 -9.560 -16.266 -1.050 1.00 0.60 O ATOM 2161 CB PHE A 137 -8.689 -13.781 0.812 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.383 -12.329 1.078 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -8.949 -11.341 0.289 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -7.524 -11.950 2.101 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.667 -10.006 0.512 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.241 -10.617 2.330 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.825 -9.655 1.609 1.00 0.64 C ATOM 0 H PHE A 137 -9.879 -12.997 -1.212 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.300 -13.992 -0.810 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -9.752 -13.951 0.983 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.149 -14.390 1.537 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.620 -11.617 -0.511 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.072 -12.706 2.725 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.077 -9.243 -0.133 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -6.537 -10.348 3.104 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.660 -8.617 1.856 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.457 -16.540 -0.298 1.00 0.60 N ATOM 2178 CA PRO A 138 -7.521 -17.999 -0.308 1.00 0.66 C ATOM 2179 C PRO A 138 -8.798 -18.486 0.368 1.00 0.73 C ATOM 2180 O PRO A 138 -9.252 -19.610 0.150 1.00 0.78 O ATOM 2181 CB PRO A 138 -6.281 -18.433 0.488 1.00 0.70 C ATOM 2182 CG PRO A 138 -5.696 -17.180 1.060 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.158 -16.058 0.179 1.00 0.62 C ATOM 0 HA PRO A 138 -7.535 -18.412 -1.316 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -6.551 -19.133 1.278 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -5.562 -18.940 -0.156 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -6.028 -17.030 2.087 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -4.608 -17.234 1.082 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.250 -15.122 0.730 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -5.466 -15.877 -0.643 1.00 0.62 H new ATOM 2191 N ASP A 139 -9.371 -17.606 1.186 1.00 0.77 N ATOM 2192 CA ASP A 139 -10.604 -17.890 1.908 1.00 0.87 C ATOM 2193 C ASP A 139 -11.799 -17.903 0.955 1.00 0.80 C ATOM 2194 O ASP A 139 -12.418 -18.944 0.739 1.00 1.03 O ATOM 2195 CB ASP A 139 -10.821 -16.833 2.995 1.00 0.92 C ATOM 2196 CG ASP A 139 -11.913 -17.218 3.975 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -12.489 -18.317 3.820 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -12.195 -16.423 4.897 1.00 1.91 O ATOM 0 H ASP A 139 -8.992 -16.676 1.365 1.00 0.77 H new ATOM 0 HA ASP A 139 -10.517 -18.874 2.368 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -9.889 -16.679 3.538 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -11.077 -15.883 2.526 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.121 -16.735 0.390 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.241 -16.643 -0.531 1.00 0.59 C ATOM 2205 C GLY A 140 -13.682 -15.211 -0.797 1.00 0.61 C ATOM 2206 O GLY A 140 -14.381 -14.947 -1.776 1.00 0.95 O ATOM 0 H GLY A 140 -11.627 -15.858 0.555 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -12.966 -17.113 -1.475 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.082 -17.206 -0.127 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.285 -14.288 0.074 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.656 -12.879 -0.080 1.00 0.62 C ATOM 2212 C GLU A 141 -12.840 -12.194 -1.166 1.00 0.53 C ATOM 2213 O GLU A 141 -11.813 -12.705 -1.603 1.00 0.59 O ATOM 2214 CB GLU A 141 -13.479 -12.127 1.237 1.00 0.86 C ATOM 2215 CG GLU A 141 -14.569 -12.404 2.256 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.617 -13.859 2.684 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -13.600 -14.356 3.214 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -15.670 -14.501 2.489 1.00 2.53 O ATOM 0 H GLU A 141 -12.709 -14.486 0.892 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.705 -12.857 -0.374 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -12.515 -12.394 1.670 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -13.451 -11.057 1.032 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -14.408 -11.777 3.133 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -15.534 -12.122 1.835 1.00 1.38 H new ATOM 2225 N MET A 142 -13.308 -11.021 -1.590 1.00 0.48 N ATOM 2226 CA MET A 142 -12.630 -10.244 -2.625 1.00 0.41 C ATOM 2227 C MET A 142 -12.540 -8.775 -2.224 1.00 0.37 C ATOM 2228 O MET A 142 -13.201 -8.351 -1.279 1.00 0.39 O ATOM 2229 CB MET A 142 -13.373 -10.370 -3.957 1.00 0.42 C ATOM 2230 CG MET A 142 -13.501 -11.801 -4.452 1.00 0.49 C ATOM 2231 SD MET A 142 -14.364 -11.917 -6.031 1.00 0.55 S ATOM 2232 CE MET A 142 -15.943 -11.183 -5.609 1.00 1.68 C ATOM 0 H MET A 142 -14.158 -10.587 -1.230 1.00 0.48 H new ATOM 0 HA MET A 142 -11.621 -10.639 -2.739 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.370 -9.942 -3.849 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.852 -9.779 -4.711 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.507 -12.236 -4.553 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.034 -12.392 -3.707 1.00 0.49 H new ATOM 0 HE1 MET A 142 -16.741 -11.709 -6.133 1.00 1.68 H new ATOM 0 HE2 MET A 142 -16.104 -11.259 -4.534 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.947 -10.133 -5.903 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.733 -7.992 -2.946 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.593 -6.586 -2.649 1.00 0.39 C ATOM 2244 C LEU A 143 -12.913 -5.881 -2.926 1.00 0.41 C ATOM 2245 O LEU A 143 -13.201 -4.820 -2.373 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.470 -6.007 -3.501 1.00 0.44 C ATOM 2247 CG LEU A 143 -9.993 -4.614 -3.117 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.582 -4.565 -1.653 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -8.831 -4.221 -4.004 1.00 1.56 C ATOM 0 H LEU A 143 -11.174 -8.317 -3.735 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.341 -6.441 -1.599 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.619 -6.686 -3.456 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.803 -5.982 -4.538 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.812 -3.909 -3.257 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.245 -3.559 -1.403 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.434 -4.828 -1.027 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.772 -5.273 -1.479 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.487 -3.223 -3.732 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.017 -4.934 -3.874 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.152 -4.222 -5.046 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.722 -6.513 -3.773 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.036 -5.996 -4.125 1.00 0.47 C ATOM 2263 C ARG A 144 -16.054 -6.407 -3.068 1.00 0.49 C ATOM 2264 O ARG A 144 -16.932 -5.631 -2.695 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.458 -6.519 -5.502 1.00 0.54 C ATOM 2266 CG ARG A 144 -16.913 -6.238 -5.851 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.232 -4.752 -5.795 1.00 0.88 C ATOM 2268 NE ARG A 144 -18.622 -4.473 -6.150 1.00 1.47 N ATOM 2269 CZ ARG A 144 -19.145 -4.727 -7.347 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.394 -5.238 -8.313 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.425 -4.465 -7.578 1.00 2.83 N ATOM 0 H ARG A 144 -13.484 -7.393 -4.231 1.00 0.39 H new ATOM 0 HA ARG A 144 -14.990 -4.908 -4.166 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.819 -6.069 -6.262 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.287 -7.595 -5.539 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.127 -6.618 -6.850 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.563 -6.775 -5.160 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.033 -4.377 -4.791 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.570 -4.214 -6.474 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.226 -4.060 -5.439 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -17.409 -5.439 -8.141 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.801 -5.430 -9.228 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.006 -4.070 -6.839 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -20.828 -4.659 -8.495 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.917 -7.640 -2.582 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.809 -8.166 -1.560 1.00 0.52 C ATOM 2287 C GLN A 145 -16.618 -7.407 -0.253 1.00 0.48 C ATOM 2288 O GLN A 145 -17.576 -7.145 0.472 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.554 -9.664 -1.356 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.359 -10.291 -0.226 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.707 -10.138 1.144 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.547 -9.487 1.193 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -17.245 -10.602 2.149 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.193 -8.292 -2.883 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.840 -8.032 -1.889 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.783 -10.189 -2.284 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.493 -9.816 -1.158 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.349 -9.837 -0.201 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.500 -11.351 -0.436 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -18.135 -11.095 2.070 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -16.801 -10.494 3.061 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.370 -7.052 0.039 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.058 -6.317 1.253 1.00 0.40 C ATOM 2304 C ILE A 146 -15.782 -4.978 1.267 1.00 0.43 C ATOM 2305 O ILE A 146 -16.384 -4.602 2.272 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.544 -6.080 1.412 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.806 -7.418 1.526 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.272 -5.218 2.632 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.299 -7.276 1.594 1.00 0.78 C ATOM 0 H ILE A 146 -14.563 -7.262 -0.549 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.396 -6.928 2.090 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.177 -5.557 0.529 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.154 -7.940 2.417 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.066 -8.041 0.670 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.198 -5.058 2.733 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.773 -4.257 2.517 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.649 -5.719 3.523 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.844 -8.263 1.674 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.939 -6.782 0.691 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.029 -6.680 2.466 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.739 -4.263 0.142 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.416 -2.978 0.054 1.00 0.50 C ATOM 2323 C LEU A 147 -17.926 -3.173 0.062 1.00 0.59 C ATOM 2324 O LEU A 147 -18.675 -2.271 0.431 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.993 -2.194 -1.192 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.678 -1.421 -1.064 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -14.493 -0.483 -2.244 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.642 -0.634 0.239 1.00 0.62 C ATOM 0 H LEU A 147 -15.250 -4.550 -0.706 1.00 0.42 H new ATOM 0 HA LEU A 147 -16.124 -2.395 0.927 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.907 -2.890 -2.027 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.786 -1.490 -1.445 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.861 -2.142 -1.058 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -13.553 0.058 -2.135 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -14.475 -1.060 -3.168 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -15.319 0.228 -2.277 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.699 -0.092 0.311 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -15.470 0.074 0.259 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.731 -1.320 1.081 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.373 -4.364 -0.322 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.797 -4.665 -0.321 1.00 0.73 C ATOM 2342 C HIS A 148 -20.336 -4.434 1.086 1.00 0.79 C ATOM 2343 O HIS A 148 -21.533 -4.227 1.290 1.00 0.90 O ATOM 2344 CB HIS A 148 -20.038 -6.115 -0.761 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.475 -6.437 -1.056 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -21.900 -7.699 -1.419 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.583 -5.655 -1.059 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.203 -7.680 -1.631 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.640 -6.453 -1.417 1.00 1.34 N ATOM 0 H HIS A 148 -17.775 -5.129 -0.635 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.315 -4.015 -1.026 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.442 -6.317 -1.651 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.680 -6.785 0.021 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -22.625 -4.602 -0.824 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -23.808 -8.524 -1.929 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.609 -6.147 -1.504 1.00 1.34 H new ATOM 2358 N THR A 149 -19.416 -4.449 2.048 1.00 0.77 N ATOM 2359 CA THR A 149 -19.742 -4.224 3.446 1.00 0.88 C ATOM 2360 C THR A 149 -19.313 -2.816 3.871 1.00 0.86 C ATOM 2361 O THR A 149 -19.934 -2.203 4.740 1.00 0.94 O ATOM 2362 CB THR A 149 -19.063 -5.283 4.316 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.552 -6.575 4.001 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.268 -5.067 5.799 1.00 1.18 C ATOM 0 H THR A 149 -18.425 -4.618 1.876 1.00 0.77 H new ATOM 0 HA THR A 149 -20.821 -4.306 3.578 1.00 0.88 H new ATOM 0 HB THR A 149 -17.999 -5.195 4.098 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.106 -7.240 4.566 1.00 1.10 H new ATOM 0 HG21 THR A 149 -18.759 -5.855 6.355 1.00 1.18 H new ATOM 0 HG22 THR A 149 -18.859 -4.098 6.086 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.334 -5.092 6.026 1.00 1.18 H new ATOM 2372 N ARG A 150 -18.257 -2.304 3.234 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.753 -0.960 3.527 1.00 0.93 C ATOM 2374 C ARG A 150 -18.317 0.048 2.525 1.00 0.95 C ATOM 2375 O ARG A 150 -19.111 0.920 2.881 1.00 1.05 O ATOM 2376 CB ARG A 150 -16.220 -0.930 3.463 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.517 -1.695 4.578 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.700 -1.027 5.934 1.00 1.26 C ATOM 2379 NE ARG A 150 -17.061 -1.162 6.449 1.00 2.01 N ATOM 2380 CZ ARG A 150 -17.587 -2.316 6.848 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -16.866 -3.429 6.805 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -18.833 -2.357 7.299 1.00 3.55 N ATOM 0 H ARG A 150 -17.734 -2.800 2.512 1.00 0.86 H new ATOM 0 HA ARG A 150 -18.074 -0.692 4.534 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.903 -1.340 2.504 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.890 0.108 3.490 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.906 -2.712 4.620 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.453 -1.769 4.351 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -15.001 -1.464 6.647 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -15.451 0.031 5.850 1.00 1.26 H new ATOM 0 HE ARG A 150 -17.640 -0.324 6.505 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -15.905 -3.401 6.465 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -17.273 -4.312 7.112 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -19.389 -1.503 7.340 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -19.236 -3.243 7.605 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.902 -0.096 1.267 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.357 0.773 0.184 1.00 1.04 C ATOM 2398 C ALA A 151 -18.042 2.234 0.459 1.00 1.11 C ATOM 2399 O ALA A 151 -18.855 3.117 0.178 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.849 0.588 -0.047 1.00 1.61 C ATOM 0 H ALA A 151 -17.243 -0.816 0.971 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.816 0.486 -0.718 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -20.176 1.241 -0.856 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -20.050 -0.449 -0.314 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -20.392 0.840 0.864 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.867 2.491 1.017 1.00 1.09 N ATOM 2407 CA PHE A 152 -16.465 3.843 1.334 1.00 1.61 C ATOM 2408 C PHE A 152 -15.391 4.383 0.387 1.00 1.38 C ATOM 2409 O PHE A 152 -14.193 4.261 0.640 1.00 1.90 O ATOM 2410 CB PHE A 152 -16.016 3.912 2.795 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.996 2.885 3.237 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -14.233 2.164 2.331 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -14.818 2.641 4.590 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -13.316 1.229 2.764 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -13.901 1.707 5.028 1.00 5.41 C ATOM 2416 CZ PHE A 152 -13.148 1.001 4.114 1.00 5.37 C ATOM 0 H PHE A 152 -16.179 1.777 1.257 1.00 1.09 H new ATOM 0 HA PHE A 152 -17.330 4.491 1.193 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -15.603 4.904 2.979 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -16.898 3.812 3.428 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -14.358 2.337 1.272 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -15.405 3.190 5.312 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -12.729 0.675 2.046 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -13.773 1.529 6.086 1.00 5.41 H new ATOM 0 HZ PHE A 152 -12.428 0.271 4.454 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.838 5.011 -0.696 1.00 1.04 N ATOM 2427 CA ASP A 153 -14.932 5.605 -1.671 1.00 1.18 C ATOM 2428 C ASP A 153 -14.378 6.918 -1.120 1.00 1.01 C ATOM 2429 O ASP A 153 -14.266 7.915 -1.833 1.00 1.40 O ATOM 2430 CB ASP A 153 -15.666 5.862 -2.987 1.00 1.46 C ATOM 2431 CG ASP A 153 -16.304 4.606 -3.554 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -16.152 3.532 -2.932 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -16.958 4.696 -4.614 1.00 2.52 O ATOM 0 H ASP A 153 -16.827 5.122 -0.920 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.109 4.915 -1.859 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -16.436 6.616 -2.828 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -14.966 6.270 -3.716 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.057 6.899 0.168 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.537 8.061 0.874 1.00 0.59 C ATOM 2440 C LYS A 154 -12.215 8.549 0.295 1.00 0.52 C ATOM 2441 O LYS A 154 -11.857 8.233 -0.839 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.355 7.710 2.349 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.650 7.319 3.044 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.444 7.089 4.535 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.496 5.928 4.804 1.00 0.94 C ATOM 2446 NZ LYS A 154 -13.277 5.720 6.263 1.00 1.77 N ATOM 0 H LYS A 154 -14.151 6.070 0.755 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.257 8.871 0.759 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.644 6.888 2.434 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.918 8.564 2.866 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.393 8.103 2.896 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -15.048 6.413 2.588 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -14.046 7.996 4.991 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.406 6.890 5.008 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.902 5.017 4.364 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.540 6.119 4.316 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -12.626 4.921 6.406 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.866 6.580 6.678 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -14.186 5.513 6.724 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.499 9.334 1.095 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.219 9.893 0.695 1.00 0.57 C ATOM 2462 C LEU A 155 -10.365 10.734 -0.569 1.00 0.51 C ATOM 2463 O LEU A 155 -9.995 10.306 -1.661 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.178 8.784 0.485 1.00 0.67 C ATOM 2465 CG LEU A 155 -8.954 7.841 1.681 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -7.589 7.186 1.580 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -9.099 8.580 3.005 1.00 1.95 C ATOM 0 H LEU A 155 -11.792 9.598 2.036 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.871 10.541 1.500 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.481 8.185 -0.374 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.226 9.249 0.230 1.00 0.67 H new ATOM 0 HG LEU A 155 -9.720 7.066 1.651 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -7.441 6.521 2.431 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -7.529 6.612 0.656 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -6.816 7.954 1.581 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -8.935 7.886 3.829 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.364 9.383 3.056 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -10.102 9.000 3.079 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.908 11.939 -0.403 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.109 12.855 -1.520 1.00 0.54 C ATOM 2481 C ASN A 156 -9.792 13.143 -2.225 1.00 0.53 C ATOM 2482 O ASN A 156 -8.797 13.461 -1.584 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.727 14.157 -1.020 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.660 15.268 -2.046 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -12.249 15.175 -3.123 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -10.928 16.327 -1.717 1.00 1.34 N ATOM 0 H ASN A 156 -11.217 12.303 0.498 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.786 12.386 -2.233 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.768 13.980 -0.750 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -11.212 14.474 -0.113 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.837 17.106 -2.369 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -10.457 16.361 -0.813 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.804 13.018 -3.549 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.613 13.250 -4.366 1.00 0.46 C ATOM 2495 C LYS A 157 -7.849 14.501 -3.939 1.00 0.48 C ATOM 2496 O LYS A 157 -8.447 15.526 -3.608 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.990 13.356 -5.846 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.336 12.019 -6.486 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.789 12.188 -7.929 1.00 1.33 C ATOM 2500 CE LYS A 157 -11.087 12.977 -8.023 1.00 1.77 C ATOM 2501 NZ LYS A 157 -11.545 13.130 -9.432 1.00 2.30 N ATOM 0 H LYS A 157 -10.632 12.755 -4.084 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.956 12.393 -4.215 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.842 14.029 -5.948 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.161 13.806 -6.392 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.466 11.363 -6.452 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.125 11.533 -5.911 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -9.011 12.698 -8.497 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -9.925 11.207 -8.385 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -11.860 12.474 -7.443 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -10.946 13.962 -7.579 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -12.432 13.673 -9.452 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -10.819 13.633 -9.980 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -11.705 12.191 -9.849 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.518 14.393 -3.958 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.622 15.487 -3.590 1.00 0.54 C ATOM 2517 C TRP A 158 -6.160 16.832 -4.067 1.00 0.75 C ATOM 2518 O TRP A 158 -5.995 17.144 -5.267 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.239 15.236 -4.199 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.190 16.205 -3.744 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -2.594 17.180 -4.490 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.594 16.274 -2.443 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -1.674 17.860 -3.731 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.655 17.321 -2.471 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -2.769 15.555 -1.258 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.891 17.666 -1.356 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -2.011 15.896 -0.154 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.081 16.943 -0.210 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.744 17.563 -3.240 1.00 1.47 O ATOM 0 H TRP A 158 -6.031 13.539 -4.231 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.551 15.522 -2.503 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.920 14.225 -3.946 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.317 15.284 -5.285 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -2.814 17.387 -5.527 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -1.099 18.639 -4.052 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.484 14.747 -1.206 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.176 18.474 -1.396 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -2.137 15.347 0.767 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.502 17.184 0.669 1.00 1.07 H new TER 2540 TRP A 158