USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot 75:sc= -1.15 USER MOD Set 1.2: A 120 GLN : amide:sc= -1.2 K(o=-2.4,f=-3.5!) USER MOD Set 2.1: A 106 GLN :FLIP amide:sc= -3.53! C(o=-8.1!,f=-4.7!) USER MOD Set 2.2: A 108 TYR OH : rot 61:sc= -1.21! USER MOD Set 3.1: A 22 CYS SG : rot 110:sc= -2.01! USER MOD Set 3.2: A 26 CYS SG : rot 103:sc= -2.93! USER MOD Set 4.1: A 8 SER OG : rot 99:sc=-0.00609 USER MOD Set 4.2: A 10 TYR OH : rot 180:sc= -0.0866 USER MOD Set 5.1: A 1 SER N :NH3+ -144:sc= 0.00722 (180deg=0) USER MOD Set 5.2: A 3 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 1 SER OG : rot 180:sc= 0.332! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -3.66 (180deg=-4.9!) USER MOD Single : A 14 ASN : amide:sc= -0.342 X(o=-0.34,f=0.14) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.222 USER MOD Single : A 31 SER OG : rot 72:sc= 0.151 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 36:sc= -1.79 USER MOD Single : A 37 ASN :FLIP amide:sc= -6.3! C(o=-9.3!,f=-6.3!) USER MOD Single : A 38 SER OG : rot 32:sc= 1.23 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -111:sc= 0.627 USER MOD Single : A 53 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.26) USER MOD Single : A 55 SER OG : rot 56:sc= 0.313 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.11 F(o=-2.3!,f=-1.1) USER MOD Single : A 58 MET CE :methyl 153:sc= -0.285 (180deg=-1.51!) USER MOD Single : A 59 TYR OH : rot 90:sc= -1.59 USER MOD Single : A 63 GLN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0437 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 81 SER OG : rot -92:sc= -0.0853 USER MOD Single : A 82 CYS SG : rot 180:sc= -1.5! USER MOD Single : A 86 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.12) USER MOD Single : A 88 SER OG : rot 0:sc= 0.855! USER MOD Single : A 89 SER OG : rot 30:sc= 0.18 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.183 F(o=-1.2,f=-0.18) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.1) USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= -0.0739 (180deg=-0.53) USER MOD Single : A 104 ASN : amide:sc= -1.35! C(o=-1.4!,f=-2.2!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -130:sc= -0.431 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.769 K(o=-0.77,f=-1.7) USER MOD Single : A 127 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-5!) USER MOD Single : A 128 SER OG : rot -123:sc= -1.36! USER MOD Single : A 129 CYS SG : rot 44:sc= -1.02 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.755 K(o=-0.75,f=-2.6!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -2.68! C(o=-2.7!,f=-7.2!) USER MOD Single : A 149 TYR OH : rot 165:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 151:sc= -0.968 (180deg=-1.81) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 158 LYS NZ :NH3+ 158:sc= -0.0352 (180deg=-0.533) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.0916 K(o=-0.092,f=-1.7!) USER MOD Single : A 171 SER OG : rot -121:sc= -0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.889 -20.081 2.708 1.00 4.50 N ATOM 2 CA SER A 1 13.196 -20.031 4.026 1.00 4.52 C ATOM 3 C SER A 1 13.986 -19.136 4.984 1.00 3.57 C ATOM 4 O SER A 1 13.710 -17.961 5.123 1.00 3.03 O ATOM 5 CB SER A 1 13.100 -21.441 4.609 1.00 4.81 C ATOM 6 OG SER A 1 14.408 -21.983 4.749 1.00 5.28 O ATOM 0 H1 SER A 1 13.183 -20.118 1.946 1.00 4.50 H new ATOM 0 H2 SER A 1 14.478 -19.232 2.593 1.00 4.50 H new ATOM 0 H3 SER A 1 14.491 -20.928 2.664 1.00 4.50 H new ATOM 0 HA SER A 1 12.193 -19.626 3.892 1.00 4.52 H new ATOM 0 HB2 SER A 1 12.600 -21.413 5.577 1.00 4.81 H new ATOM 0 HB3 SER A 1 12.499 -22.076 3.958 1.00 4.81 H new ATOM 0 HG SER A 1 14.349 -22.886 5.124 1.00 5.28 H new ATOM 14 N LYS A 2 14.967 -19.684 5.647 1.00 3.60 N ATOM 15 CA LYS A 2 15.772 -18.867 6.598 1.00 3.08 C ATOM 16 C LYS A 2 16.438 -17.714 5.845 1.00 2.11 C ATOM 17 O LYS A 2 17.086 -16.872 6.436 1.00 2.12 O ATOM 18 CB LYS A 2 16.850 -19.744 7.239 1.00 3.28 C ATOM 19 CG LYS A 2 16.199 -20.712 8.231 1.00 3.95 C ATOM 20 CD LYS A 2 17.273 -21.613 8.842 1.00 4.66 C ATOM 21 CE LYS A 2 16.676 -22.401 10.010 1.00 5.66 C ATOM 22 NZ LYS A 2 17.622 -23.481 10.414 1.00 5.96 N ATOM 0 H LYS A 2 15.246 -20.662 5.571 1.00 3.60 H new ATOM 0 HA LYS A 2 15.119 -18.466 7.373 1.00 3.08 H new ATOM 0 HB2 LYS A 2 17.386 -20.301 6.470 1.00 3.28 H new ATOM 0 HB3 LYS A 2 17.584 -19.121 7.751 1.00 3.28 H new ATOM 0 HG2 LYS A 2 15.686 -20.156 9.016 1.00 3.95 H new ATOM 0 HG3 LYS A 2 15.446 -21.317 7.725 1.00 3.95 H new ATOM 0 HD2 LYS A 2 17.660 -22.298 8.088 1.00 4.66 H new ATOM 0 HD3 LYS A 2 18.114 -21.011 9.188 1.00 4.66 H new ATOM 0 HE2 LYS A 2 16.485 -21.736 10.852 1.00 5.66 H new ATOM 0 HE3 LYS A 2 15.717 -22.832 9.720 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 17.218 -24.018 11.208 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 17.783 -24.121 9.610 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 18.526 -23.059 10.706 1.00 5.96 H new ATOM 36 N THR A 3 16.250 -17.632 4.552 1.00 1.72 N ATOM 37 CA THR A 3 16.835 -16.491 3.785 1.00 1.18 C ATOM 38 C THR A 3 15.789 -15.375 3.764 1.00 1.02 C ATOM 39 O THR A 3 15.129 -15.145 4.758 1.00 1.63 O ATOM 40 CB THR A 3 17.197 -16.924 2.361 1.00 1.48 C ATOM 41 OG1 THR A 3 16.029 -16.909 1.554 1.00 2.13 O ATOM 42 CG2 THR A 3 17.782 -18.336 2.387 1.00 2.22 C ATOM 0 H THR A 3 15.719 -18.303 3.997 1.00 1.72 H new ATOM 0 HA THR A 3 17.754 -16.144 4.256 1.00 1.18 H new ATOM 0 HB THR A 3 17.935 -16.236 1.948 1.00 1.48 H new ATOM 0 HG1 THR A 3 16.258 -17.184 0.642 1.00 2.13 H new ATOM 0 HG21 THR A 3 18.039 -18.642 1.373 1.00 2.22 H new ATOM 0 HG22 THR A 3 18.678 -18.347 3.007 1.00 2.22 H new ATOM 0 HG23 THR A 3 17.047 -19.027 2.799 1.00 2.22 H new ATOM 50 N GLY A 4 15.600 -14.673 2.680 1.00 0.52 N ATOM 51 CA GLY A 4 14.559 -13.607 2.728 1.00 0.30 C ATOM 52 C GLY A 4 14.550 -12.732 1.474 1.00 0.41 C ATOM 53 O GLY A 4 15.263 -12.956 0.517 1.00 0.81 O ATOM 0 H GLY A 4 16.098 -14.783 1.797 1.00 0.52 H new ATOM 0 HA2 GLY A 4 13.579 -14.068 2.851 1.00 0.30 H new ATOM 0 HA3 GLY A 4 14.728 -12.979 3.603 1.00 0.30 H new ATOM 57 N GLY A 5 13.726 -11.722 1.516 1.00 0.01 N ATOM 58 CA GLY A 5 13.608 -10.767 0.377 1.00 0.01 C ATOM 59 C GLY A 5 14.765 -9.768 0.434 1.00 0.01 C ATOM 60 O GLY A 5 15.397 -9.596 1.459 1.00 0.01 O ATOM 0 H GLY A 5 13.117 -11.514 2.308 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.625 -11.308 -0.569 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.655 -10.241 0.426 1.00 0.01 H new ATOM 64 N LYS A 6 15.057 -9.111 -0.659 1.00 0.00 N ATOM 65 CA LYS A 6 16.188 -8.130 -0.657 1.00 0.01 C ATOM 66 C LYS A 6 15.884 -6.977 -1.617 1.00 0.01 C ATOM 67 O LYS A 6 15.426 -7.178 -2.732 1.00 0.00 O ATOM 68 CB LYS A 6 17.492 -8.835 -1.073 1.00 0.02 C ATOM 69 CG LYS A 6 18.714 -8.118 -0.486 1.00 0.02 C ATOM 70 CD LYS A 6 19.961 -8.963 -0.755 1.00 0.02 C ATOM 71 CE LYS A 6 21.215 -8.165 -0.391 1.00 0.02 C ATOM 72 NZ LYS A 6 21.474 -7.144 -1.447 1.00 0.02 N ATOM 0 H LYS A 6 14.566 -9.209 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 6 16.308 -7.727 0.349 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.475 -9.870 -0.733 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.567 -8.858 -2.160 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.824 -7.131 -0.935 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.584 -7.968 0.586 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.922 -9.883 -0.171 1.00 0.02 H new ATOM 0 HD3 LYS A 6 19.995 -9.253 -1.805 1.00 0.02 H new ATOM 0 HE2 LYS A 6 21.083 -7.679 0.576 1.00 0.02 H new ATOM 0 HE3 LYS A 6 22.071 -8.833 -0.298 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 22.475 -6.864 -1.421 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.251 -7.545 -2.380 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 20.877 -6.310 -1.277 1.00 0.02 H new ATOM 86 N ILE A 7 16.154 -5.768 -1.173 1.00 0.02 N ATOM 87 CA ILE A 7 15.910 -4.553 -2.012 1.00 0.00 C ATOM 88 C ILE A 7 17.168 -3.674 -2.006 1.00 0.02 C ATOM 89 O ILE A 7 17.817 -3.515 -0.990 1.00 0.01 O ATOM 90 CB ILE A 7 14.702 -3.797 -1.456 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.403 -2.571 -2.322 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.995 -3.341 -0.032 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.045 -1.988 -1.918 1.00 0.02 C ATOM 0 H ILE A 7 16.539 -5.573 -0.249 1.00 0.02 H new ATOM 0 HA ILE A 7 15.696 -4.836 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 7 13.839 -4.462 -1.462 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.185 -1.823 -2.196 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.394 -2.849 -3.376 1.00 0.02 H new ATOM 0 HG21 ILE A 7 14.133 -2.803 0.362 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.197 -4.210 0.594 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.864 -2.684 -0.032 1.00 0.01 H new ATOM 0 HD11 ILE A 7 12.827 -1.114 -2.532 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.268 -2.738 -2.066 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.072 -1.696 -0.868 1.00 0.02 H new ATOM 105 N SER A 8 17.516 -3.097 -3.137 1.00 0.02 N ATOM 106 CA SER A 8 18.735 -2.218 -3.214 1.00 0.02 C ATOM 107 C SER A 8 18.342 -0.813 -3.688 1.00 0.01 C ATOM 108 O SER A 8 17.665 -0.648 -4.682 1.00 0.02 O ATOM 109 CB SER A 8 19.752 -2.809 -4.194 1.00 0.30 C ATOM 110 OG SER A 8 21.024 -2.220 -3.956 1.00 0.39 O ATOM 0 H SER A 8 17.006 -3.197 -4.015 1.00 0.02 H new ATOM 0 HA SER A 8 19.180 -2.158 -2.221 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.809 -3.890 -4.070 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.437 -2.622 -5.221 1.00 0.30 H new ATOM 0 HG SER A 8 21.567 -2.824 -3.408 1.00 0.39 H new ATOM 116 N PHE A 9 18.786 0.201 -2.980 1.00 0.02 N ATOM 117 CA PHE A 9 18.477 1.617 -3.366 1.00 0.01 C ATOM 118 C PHE A 9 19.758 2.301 -3.863 1.00 0.01 C ATOM 119 O PHE A 9 20.823 2.105 -3.308 1.00 0.02 O ATOM 120 CB PHE A 9 17.957 2.377 -2.140 1.00 0.02 C ATOM 121 CG PHE A 9 16.963 1.528 -1.385 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.405 0.672 -0.369 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.602 1.604 -1.694 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.482 -0.108 0.338 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.678 0.824 -0.986 1.00 0.02 C ATOM 126 CZ PHE A 9 15.120 -0.032 0.031 1.00 0.02 C ATOM 0 H PHE A 9 19.357 0.106 -2.140 1.00 0.02 H new ATOM 0 HA PHE A 9 17.723 1.620 -4.154 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.789 2.643 -1.488 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.487 3.309 -2.453 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.457 0.613 -0.131 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.262 2.264 -2.479 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.822 -0.769 1.121 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.626 0.883 -1.224 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.409 -0.633 0.578 1.00 0.02 H new ATOM 136 N TYR A 10 19.669 3.100 -4.907 1.00 0.02 N ATOM 137 CA TYR A 10 20.885 3.799 -5.447 1.00 0.01 C ATOM 138 C TYR A 10 20.665 5.316 -5.417 1.00 0.02 C ATOM 139 O TYR A 10 19.591 5.810 -5.714 1.00 0.01 O ATOM 140 CB TYR A 10 21.123 3.361 -6.897 1.00 0.02 C ATOM 141 CG TYR A 10 20.996 1.857 -7.011 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.737 1.249 -6.928 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.139 1.071 -7.210 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.620 -0.141 -7.040 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.020 -0.319 -7.323 1.00 0.02 C ATOM 146 CZ TYR A 10 20.760 -0.925 -7.238 1.00 0.00 C ATOM 147 OH TYR A 10 20.644 -2.296 -7.352 1.00 0.02 O ATOM 0 H TYR A 10 18.803 3.298 -5.409 1.00 0.02 H new ATOM 0 HA TYR A 10 21.748 3.541 -4.833 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.402 3.846 -7.555 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.114 3.676 -7.223 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.855 1.854 -6.777 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.111 1.537 -7.276 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.649 -0.608 -6.973 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.901 -0.925 -7.476 1.00 0.02 H new ATOM 0 HH TYR A 10 21.531 -2.689 -7.487 1.00 0.02 H new ATOM 157 N GLU A 11 21.663 6.066 -5.026 1.00 0.00 N ATOM 158 CA GLU A 11 21.493 7.542 -4.941 1.00 0.02 C ATOM 159 C GLU A 11 21.362 8.175 -6.329 1.00 0.03 C ATOM 160 O GLU A 11 20.742 9.211 -6.469 1.00 0.03 O ATOM 161 CB GLU A 11 22.702 8.153 -4.230 1.00 0.00 C ATOM 162 CG GLU A 11 22.685 7.759 -2.751 1.00 0.00 C ATOM 163 CD GLU A 11 23.769 8.535 -2.002 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.402 9.375 -2.620 1.00 0.01 O ATOM 165 OE2 GLU A 11 23.946 8.277 -0.823 1.00 0.02 O ATOM 0 H GLU A 11 22.585 5.718 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 11 20.578 7.742 -4.384 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.624 7.807 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.683 9.238 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.707 7.971 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.853 6.687 -2.648 1.00 0.00 H new ATOM 172 N ASP A 12 21.925 7.582 -7.362 1.00 0.02 N ATOM 173 CA ASP A 12 21.807 8.186 -8.732 1.00 0.01 C ATOM 174 C ASP A 12 20.983 7.272 -9.643 1.00 0.02 C ATOM 175 O ASP A 12 20.666 6.147 -9.306 1.00 0.02 O ATOM 176 CB ASP A 12 23.201 8.366 -9.341 1.00 0.01 C ATOM 177 CG ASP A 12 23.109 9.268 -10.574 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.132 10.479 -10.403 1.00 0.02 O ATOM 179 OD2 ASP A 12 23.014 8.733 -11.669 1.00 0.03 O ATOM 0 H ASP A 12 22.457 6.713 -7.315 1.00 0.02 H new ATOM 0 HA ASP A 12 21.313 9.153 -8.644 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.876 8.805 -8.606 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.616 7.397 -9.617 1.00 0.01 H new ATOM 184 N ARG A 13 20.631 7.771 -10.794 1.00 0.02 N ATOM 185 CA ARG A 13 19.816 6.979 -11.761 1.00 0.02 C ATOM 186 C ARG A 13 20.690 5.926 -12.448 1.00 0.00 C ATOM 187 O ARG A 13 21.896 6.044 -12.513 1.00 0.02 O ATOM 188 CB ARG A 13 19.259 7.937 -12.818 1.00 0.00 C ATOM 189 CG ARG A 13 18.217 8.856 -12.179 1.00 0.01 C ATOM 190 CD ARG A 13 17.931 10.034 -13.113 1.00 0.02 C ATOM 191 NE ARG A 13 17.467 9.521 -14.433 1.00 0.03 N ATOM 192 CZ ARG A 13 16.883 10.325 -15.279 1.00 0.02 C ATOM 193 NH1 ARG A 13 16.705 11.581 -14.969 1.00 0.02 N ATOM 194 NH2 ARG A 13 16.478 9.874 -16.435 1.00 0.02 N ATOM 0 H ARG A 13 20.877 8.709 -11.112 1.00 0.02 H new ATOM 0 HA ARG A 13 19.006 6.475 -11.233 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.067 8.530 -13.248 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.809 7.372 -13.634 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.299 8.302 -11.984 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.579 9.220 -11.218 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.172 10.682 -12.676 1.00 0.02 H new ATOM 0 HD3 ARG A 13 18.830 10.637 -13.241 1.00 0.02 H new ATOM 0 HE ARG A 13 17.606 8.540 -14.676 1.00 0.03 H new ATOM 0 HH11 ARG A 13 17.022 11.933 -14.066 1.00 0.02 H new ATOM 0 HH12 ARG A 13 16.249 12.210 -15.630 1.00 0.02 H new ATOM 0 HH21 ARG A 13 16.618 8.893 -16.677 1.00 0.02 H new ATOM 0 HH22 ARG A 13 16.022 10.502 -17.096 1.00 0.02 H new ATOM 208 N ASN A 14 20.067 4.904 -12.975 1.00 0.02 N ATOM 209 CA ASN A 14 20.814 3.823 -13.688 1.00 0.02 C ATOM 210 C ASN A 14 21.719 3.050 -12.723 1.00 0.02 C ATOM 211 O ASN A 14 22.771 2.560 -13.080 1.00 0.02 O ATOM 212 CB ASN A 14 21.638 4.448 -14.821 1.00 0.26 C ATOM 213 CG ASN A 14 21.981 3.381 -15.863 1.00 0.12 C ATOM 214 OD1 ASN A 14 22.929 2.637 -15.701 1.00 0.74 O ATOM 215 ND2 ASN A 14 21.245 3.273 -16.934 1.00 0.46 N ATOM 0 H ASN A 14 19.056 4.770 -12.941 1.00 0.02 H new ATOM 0 HA ASN A 14 20.101 3.112 -14.106 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.076 5.257 -15.287 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.553 4.885 -14.420 1.00 0.26 H new ATOM 0 HD21 ASN A 14 21.465 2.565 -17.635 1.00 0.46 H new ATOM 0 HD22 ASN A 14 20.449 3.896 -17.071 1.00 0.46 H new ATOM 222 N PHE A 15 21.270 2.912 -11.504 1.00 0.02 N ATOM 223 CA PHE A 15 22.034 2.140 -10.478 1.00 0.02 C ATOM 224 C PHE A 15 23.458 2.680 -10.322 1.00 0.00 C ATOM 225 O PHE A 15 24.404 1.930 -10.187 1.00 0.02 O ATOM 226 CB PHE A 15 22.087 0.657 -10.898 1.00 0.02 C ATOM 227 CG PHE A 15 20.855 0.308 -11.701 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.644 0.045 -11.050 1.00 0.02 C ATOM 229 CD2 PHE A 15 20.925 0.248 -13.099 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.504 -0.276 -11.796 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.786 -0.073 -13.844 1.00 0.02 C ATOM 232 CZ PHE A 15 18.576 -0.335 -13.193 1.00 0.02 C ATOM 0 H PHE A 15 20.391 3.308 -11.170 1.00 0.02 H new ATOM 0 HA PHE A 15 21.527 2.243 -9.519 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.983 0.469 -11.489 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.149 0.021 -10.015 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.589 0.090 -9.972 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.859 0.450 -13.602 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.569 -0.478 -11.294 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.841 -0.119 -14.922 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.696 -0.583 -13.769 1.00 0.02 H new ATOM 242 N GLN A 16 23.606 3.978 -10.317 1.00 0.02 N ATOM 243 CA GLN A 16 24.956 4.600 -10.145 1.00 0.02 C ATOM 244 C GLN A 16 24.974 5.346 -8.807 1.00 0.02 C ATOM 245 O GLN A 16 23.942 5.584 -8.204 1.00 0.02 O ATOM 246 CB GLN A 16 25.202 5.593 -11.287 1.00 0.02 C ATOM 247 CG GLN A 16 25.598 4.827 -12.553 1.00 0.00 C ATOM 248 CD GLN A 16 25.575 5.776 -13.751 1.00 0.00 C ATOM 249 OE1 GLN A 16 25.422 6.971 -13.592 1.00 0.02 O ATOM 250 NE2 GLN A 16 25.720 5.293 -14.955 1.00 0.02 N ATOM 0 H GLN A 16 22.841 4.644 -10.426 1.00 0.02 H new ATOM 0 HA GLN A 16 25.733 3.835 -10.159 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.303 6.182 -11.471 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.991 6.293 -11.011 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.593 4.397 -12.435 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.910 3.998 -12.719 1.00 0.00 H new ATOM 0 HE21 GLN A 16 25.849 4.290 -15.090 1.00 0.02 H new ATOM 0 HE22 GLN A 16 25.705 5.918 -15.761 1.00 0.02 H new ATOM 259 N GLY A 17 26.132 5.716 -8.327 1.00 0.03 N ATOM 260 CA GLY A 17 26.199 6.450 -7.028 1.00 0.03 C ATOM 261 C GLY A 17 26.302 5.468 -5.855 1.00 0.02 C ATOM 262 O GLY A 17 26.537 4.289 -6.034 1.00 0.02 O ATOM 0 H GLY A 17 27.031 5.543 -8.776 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.060 7.118 -7.026 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.312 7.073 -6.910 1.00 0.03 H new ATOM 266 N ARG A 18 26.115 5.953 -4.658 1.00 0.00 N ATOM 267 CA ARG A 18 26.181 5.067 -3.458 1.00 0.02 C ATOM 268 C ARG A 18 24.991 4.108 -3.480 1.00 0.02 C ATOM 269 O ARG A 18 23.895 4.467 -3.868 1.00 0.02 O ATOM 270 CB ARG A 18 26.120 5.936 -2.195 1.00 0.79 C ATOM 271 CG ARG A 18 26.536 5.110 -0.962 1.00 1.49 C ATOM 272 CD ARG A 18 28.061 5.145 -0.784 1.00 1.42 C ATOM 273 NE ARG A 18 28.450 6.403 -0.084 1.00 2.07 N ATOM 274 CZ ARG A 18 29.638 6.516 0.441 1.00 2.35 C ATOM 275 NH1 ARG A 18 30.487 5.528 0.354 1.00 2.53 N ATOM 276 NH2 ARG A 18 29.978 7.618 1.053 1.00 2.76 N ATOM 0 H ARG A 18 25.918 6.933 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 18 27.109 4.495 -3.463 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.779 6.797 -2.305 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.110 6.323 -2.059 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.050 5.506 -0.070 1.00 1.49 H new ATOM 0 HG3 ARG A 18 26.200 4.079 -1.077 1.00 1.49 H new ATOM 0 HD2 ARG A 18 28.391 4.279 -0.210 1.00 1.42 H new ATOM 0 HD3 ARG A 18 28.553 5.089 -1.755 1.00 1.42 H new ATOM 0 HE ARG A 18 27.787 7.175 -0.016 1.00 2.07 H new ATOM 0 HH11 ARG A 18 30.221 4.668 -0.125 1.00 2.53 H new ATOM 0 HH12 ARG A 18 31.416 5.617 0.765 1.00 2.53 H new ATOM 0 HH21 ARG A 18 29.314 8.390 1.120 1.00 2.76 H new ATOM 0 HH22 ARG A 18 30.907 7.707 1.464 1.00 2.76 H new ATOM 290 N ARG A 19 25.210 2.876 -3.083 1.00 0.02 N ATOM 291 CA ARG A 19 24.118 1.853 -3.088 1.00 0.02 C ATOM 292 C ARG A 19 23.934 1.281 -1.679 1.00 0.02 C ATOM 293 O ARG A 19 24.868 1.178 -0.909 1.00 0.02 O ATOM 294 CB ARG A 19 24.520 0.715 -4.031 1.00 0.85 C ATOM 295 CG ARG A 19 23.355 -0.263 -4.214 1.00 1.31 C ATOM 296 CD ARG A 19 23.848 -1.502 -4.962 1.00 1.34 C ATOM 297 NE ARG A 19 24.809 -1.090 -6.025 1.00 1.50 N ATOM 298 CZ ARG A 19 25.576 -1.979 -6.595 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.500 -3.233 -6.235 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.415 -1.616 -7.525 1.00 1.89 N ATOM 0 H ARG A 19 26.112 2.533 -2.752 1.00 0.02 H new ATOM 0 HA ARG A 19 23.187 2.315 -3.416 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.816 1.123 -4.998 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.385 0.189 -3.628 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.948 -0.548 -3.244 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.548 0.215 -4.770 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.330 -2.191 -4.268 1.00 1.34 H new ATOM 0 HD3 ARG A 19 23.005 -2.032 -5.405 1.00 1.34 H new ATOM 0 HE ARG A 19 24.867 -0.112 -6.307 1.00 1.50 H new ATOM 0 HH11 ARG A 19 24.842 -3.516 -5.509 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.099 -3.929 -6.680 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.472 -0.637 -7.807 1.00 1.89 H new ATOM 0 HH22 ARG A 19 27.014 -2.311 -7.970 1.00 1.89 H new ATOM 314 N TYR A 20 22.732 0.876 -1.358 1.00 0.02 N ATOM 315 CA TYR A 20 22.465 0.262 -0.017 1.00 0.02 C ATOM 316 C TYR A 20 21.557 -0.955 -0.193 1.00 0.02 C ATOM 317 O TYR A 20 20.558 -0.891 -0.875 1.00 0.02 O ATOM 318 CB TYR A 20 21.800 1.267 0.933 1.00 0.02 C ATOM 319 CG TYR A 20 22.030 0.815 2.361 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.338 -0.292 2.867 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.953 1.491 3.168 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.565 -0.718 4.181 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.181 1.063 4.481 1.00 0.02 C ATOM 324 CZ TYR A 20 22.487 -0.041 4.988 1.00 0.02 C ATOM 325 OH TYR A 20 22.714 -0.464 6.283 1.00 0.01 O ATOM 0 H TYR A 20 21.918 0.944 -1.969 1.00 0.02 H new ATOM 0 HA TYR A 20 23.417 -0.039 0.421 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.216 2.263 0.781 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.732 1.333 0.725 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.629 -0.817 2.244 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.489 2.343 2.777 1.00 0.02 H new ATOM 0 HE1 TYR A 20 21.028 -1.570 4.572 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.893 1.585 5.103 1.00 0.02 H new ATOM 0 HH TYR A 20 23.384 0.115 6.704 1.00 0.01 H new ATOM 335 N ASP A 21 21.890 -2.055 0.428 1.00 0.01 N ATOM 336 CA ASP A 21 21.048 -3.288 0.316 1.00 0.02 C ATOM 337 C ASP A 21 20.339 -3.523 1.653 1.00 0.00 C ATOM 338 O ASP A 21 20.923 -3.384 2.709 1.00 0.01 O ATOM 339 CB ASP A 21 21.962 -4.475 0.010 1.00 0.12 C ATOM 340 CG ASP A 21 22.380 -4.433 -1.461 1.00 0.41 C ATOM 341 OD1 ASP A 21 21.547 -4.726 -2.302 1.00 1.12 O ATOM 342 OD2 ASP A 21 23.528 -4.108 -1.721 1.00 0.56 O ATOM 0 H ASP A 21 22.718 -2.156 1.015 1.00 0.01 H new ATOM 0 HA ASP A 21 20.309 -3.175 -0.477 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.844 -4.443 0.650 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.445 -5.410 0.225 1.00 0.12 H new ATOM 347 N CYS A 22 19.067 -3.853 1.608 1.00 0.01 N ATOM 348 CA CYS A 22 18.285 -4.073 2.868 1.00 0.00 C ATOM 349 C CYS A 22 17.582 -5.432 2.818 1.00 0.02 C ATOM 350 O CYS A 22 17.029 -5.821 1.803 1.00 0.01 O ATOM 351 CB CYS A 22 17.241 -2.969 2.990 1.00 0.00 C ATOM 352 SG CYS A 22 16.114 -3.360 4.343 1.00 0.02 S ATOM 0 H CYS A 22 18.535 -3.980 0.747 1.00 0.01 H new ATOM 0 HA CYS A 22 18.958 -4.055 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.728 -2.011 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.687 -2.872 2.056 1.00 0.00 H new ATOM 0 HG CYS A 22 16.308 -2.529 5.324 1.00 0.02 H new ATOM 358 N ASP A 23 17.608 -6.159 3.912 1.00 0.01 N ATOM 359 CA ASP A 23 16.957 -7.507 3.963 1.00 0.02 C ATOM 360 C ASP A 23 15.860 -7.541 5.042 1.00 0.00 C ATOM 361 O ASP A 23 15.358 -8.594 5.377 1.00 0.02 O ATOM 362 CB ASP A 23 18.018 -8.557 4.290 1.00 0.16 C ATOM 363 CG ASP A 23 18.770 -8.149 5.559 1.00 0.17 C ATOM 364 OD1 ASP A 23 18.403 -7.143 6.143 1.00 0.20 O ATOM 365 OD2 ASP A 23 19.701 -8.848 5.924 1.00 0.17 O ATOM 0 H ASP A 23 18.058 -5.871 4.781 1.00 0.01 H new ATOM 0 HA ASP A 23 16.500 -7.716 2.996 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.549 -9.531 4.430 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.715 -8.656 3.458 1.00 0.16 H new ATOM 370 N CYS A 24 15.474 -6.411 5.587 1.00 0.01 N ATOM 371 CA CYS A 24 14.401 -6.414 6.635 1.00 0.01 C ATOM 372 C CYS A 24 13.786 -5.009 6.735 1.00 0.01 C ATOM 373 O CYS A 24 14.253 -4.082 6.114 1.00 0.01 O ATOM 374 CB CYS A 24 15.003 -6.811 7.985 1.00 0.62 C ATOM 375 SG CYS A 24 13.672 -7.091 9.181 1.00 1.23 S ATOM 0 H CYS A 24 15.852 -5.493 5.354 1.00 0.01 H new ATOM 0 HA CYS A 24 13.627 -7.132 6.364 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.604 -7.714 7.876 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.669 -6.026 8.343 1.00 0.62 H new ATOM 0 HG CYS A 24 14.183 -7.430 10.327 1.00 1.23 H new ATOM 381 N ASP A 25 12.737 -4.835 7.501 1.00 0.02 N ATOM 382 CA ASP A 25 12.105 -3.483 7.614 1.00 0.01 C ATOM 383 C ASP A 25 13.087 -2.478 8.224 1.00 0.02 C ATOM 384 O ASP A 25 13.868 -2.804 9.095 1.00 0.00 O ATOM 385 CB ASP A 25 10.879 -3.582 8.524 1.00 0.01 C ATOM 386 CG ASP A 25 9.854 -4.532 7.901 1.00 0.01 C ATOM 387 OD1 ASP A 25 10.219 -5.250 6.987 1.00 0.01 O ATOM 388 OD2 ASP A 25 8.721 -4.521 8.349 1.00 0.01 O ATOM 0 H ASP A 25 12.292 -5.569 8.052 1.00 0.02 H new ATOM 0 HA ASP A 25 11.820 -3.144 6.618 1.00 0.01 H new ATOM 0 HB2 ASP A 25 11.173 -3.943 9.509 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.437 -2.596 8.665 1.00 0.01 H new ATOM 393 N CYS A 26 13.025 -1.241 7.785 1.00 0.01 N ATOM 394 CA CYS A 26 13.923 -0.176 8.346 1.00 0.01 C ATOM 395 C CYS A 26 13.093 1.091 8.612 1.00 0.01 C ATOM 396 O CYS A 26 12.479 1.639 7.718 1.00 0.01 O ATOM 397 CB CYS A 26 15.047 0.129 7.357 1.00 0.01 C ATOM 398 SG CYS A 26 15.613 -1.412 6.600 1.00 0.02 S ATOM 0 H CYS A 26 12.386 -0.921 7.057 1.00 0.01 H new ATOM 0 HA CYS A 26 14.366 -0.522 9.280 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.694 0.817 6.589 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.874 0.621 7.869 1.00 0.01 H new ATOM 0 HG CYS A 26 15.128 -1.509 5.398 1.00 0.02 H new ATOM 404 N ALA A 27 13.040 1.525 9.847 1.00 0.01 N ATOM 405 CA ALA A 27 12.212 2.721 10.200 1.00 0.01 C ATOM 406 C ALA A 27 12.904 4.041 9.826 1.00 0.01 C ATOM 407 O ALA A 27 12.260 5.067 9.714 1.00 0.02 O ATOM 408 CB ALA A 27 11.930 2.712 11.703 1.00 0.24 C ATOM 0 H ALA A 27 13.537 1.100 10.630 1.00 0.01 H new ATOM 0 HA ALA A 27 11.285 2.660 9.630 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.327 3.581 11.965 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.390 1.803 11.966 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.872 2.745 12.250 1.00 0.24 H new ATOM 414 N ASP A 28 14.201 4.048 9.654 1.00 0.01 N ATOM 415 CA ASP A 28 14.897 5.333 9.308 1.00 0.02 C ATOM 416 C ASP A 28 16.184 5.042 8.534 1.00 0.01 C ATOM 417 O ASP A 28 17.162 4.580 9.088 1.00 0.02 O ATOM 418 CB ASP A 28 15.230 6.099 10.592 1.00 0.67 C ATOM 419 CG ASP A 28 15.934 5.163 11.577 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.404 4.092 11.827 1.00 0.87 O ATOM 421 OD2 ASP A 28 16.988 5.534 12.066 1.00 1.14 O ATOM 0 H ASP A 28 14.806 3.231 9.736 1.00 0.01 H new ATOM 0 HA ASP A 28 14.238 5.937 8.685 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.869 6.952 10.364 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.318 6.495 11.039 1.00 0.67 H new ATOM 426 N PHE A 29 16.188 5.297 7.248 1.00 0.02 N ATOM 427 CA PHE A 29 17.398 5.032 6.402 1.00 0.02 C ATOM 428 C PHE A 29 18.128 6.348 6.080 1.00 0.00 C ATOM 429 O PHE A 29 19.037 6.389 5.275 1.00 0.02 O ATOM 430 CB PHE A 29 16.927 4.342 5.090 1.00 2.87 C ATOM 431 CG PHE A 29 17.486 2.935 4.973 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.410 2.057 6.060 1.00 4.52 C ATOM 433 CD2 PHE A 29 18.069 2.511 3.773 1.00 4.68 C ATOM 434 CE1 PHE A 29 17.919 0.759 5.949 1.00 5.75 C ATOM 435 CE2 PHE A 29 18.576 1.212 3.662 1.00 5.85 C ATOM 436 CZ PHE A 29 18.502 0.337 4.752 1.00 6.37 C ATOM 0 H PHE A 29 15.393 5.683 6.740 1.00 0.02 H new ATOM 0 HA PHE A 29 18.094 4.387 6.938 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.838 4.306 5.067 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.244 4.934 4.232 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.958 2.382 6.985 1.00 4.52 H new ATOM 0 HD2 PHE A 29 18.127 3.187 2.933 1.00 4.68 H new ATOM 0 HE1 PHE A 29 17.861 0.083 6.789 1.00 5.75 H new ATOM 0 HE2 PHE A 29 19.024 0.884 2.736 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.896 -0.665 4.667 1.00 6.37 H new ATOM 446 N ARG A 30 17.695 7.428 6.670 1.00 0.01 N ATOM 447 CA ARG A 30 18.312 8.753 6.376 1.00 0.00 C ATOM 448 C ARG A 30 19.801 8.781 6.732 1.00 0.01 C ATOM 449 O ARG A 30 20.559 9.527 6.146 1.00 0.02 O ATOM 450 CB ARG A 30 17.595 9.838 7.179 1.00 0.32 C ATOM 451 CG ARG A 30 16.130 9.908 6.744 1.00 0.86 C ATOM 452 CD ARG A 30 15.415 11.012 7.527 1.00 1.62 C ATOM 453 NE ARG A 30 16.038 12.329 7.214 1.00 2.25 N ATOM 454 CZ ARG A 30 15.412 13.434 7.519 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.242 13.384 8.093 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.956 14.588 7.246 1.00 3.02 N ATOM 0 H ARG A 30 16.934 7.450 7.349 1.00 0.01 H new ATOM 0 HA ARG A 30 18.212 8.933 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.659 9.619 8.245 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.079 10.802 7.022 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.067 10.107 5.674 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.642 8.949 6.919 1.00 0.86 H new ATOM 0 HD2 ARG A 30 14.356 11.028 7.268 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.479 10.813 8.597 1.00 1.62 H new ATOM 0 HE ARG A 30 16.952 12.367 6.762 1.00 2.25 H new ATOM 0 HH11 ARG A 30 13.816 12.482 8.304 1.00 3.11 H new ATOM 0 HH12 ARG A 30 13.753 14.247 8.331 1.00 3.11 H new ATOM 0 HH21 ARG A 30 16.870 14.627 6.795 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.467 15.451 7.484 1.00 3.02 H new ATOM 470 N SER A 31 20.239 8.013 7.692 1.00 0.02 N ATOM 471 CA SER A 31 21.682 8.054 8.076 1.00 0.02 C ATOM 472 C SER A 31 22.542 7.297 7.061 1.00 0.01 C ATOM 473 O SER A 31 23.748 7.437 7.033 1.00 0.02 O ATOM 474 CB SER A 31 21.850 7.411 9.453 1.00 0.37 C ATOM 475 OG SER A 31 21.422 6.057 9.396 1.00 0.88 O ATOM 0 H SER A 31 19.664 7.361 8.226 1.00 0.02 H new ATOM 0 HA SER A 31 22.007 9.094 8.098 1.00 0.02 H new ATOM 0 HB2 SER A 31 22.893 7.462 9.766 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.268 7.957 10.195 1.00 0.37 H new ATOM 0 HG SER A 31 22.073 5.529 8.888 1.00 0.88 H new ATOM 481 N TYR A 32 21.935 6.474 6.249 1.00 0.01 N ATOM 482 CA TYR A 32 22.717 5.670 5.255 1.00 0.01 C ATOM 483 C TYR A 32 22.531 6.230 3.843 1.00 0.02 C ATOM 484 O TYR A 32 23.330 5.987 2.961 1.00 0.02 O ATOM 485 CB TYR A 32 22.208 4.230 5.293 1.00 0.02 C ATOM 486 CG TYR A 32 22.408 3.666 6.681 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.690 3.294 7.105 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.315 3.512 7.542 1.00 0.01 C ATOM 489 CE1 TYR A 32 23.878 2.771 8.390 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.503 2.988 8.826 1.00 0.02 C ATOM 491 CZ TYR A 32 22.784 2.617 9.250 1.00 0.02 C ATOM 492 OH TYR A 32 22.970 2.104 10.516 1.00 0.02 O ATOM 0 H TYR A 32 20.927 6.321 6.228 1.00 0.01 H new ATOM 0 HA TYR A 32 23.776 5.714 5.509 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.152 4.198 5.024 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.742 3.624 4.561 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.534 3.411 6.441 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.326 3.798 7.215 1.00 0.01 H new ATOM 0 HE1 TYR A 32 24.867 2.486 8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.659 2.870 9.490 1.00 0.02 H new ATOM 0 HH TYR A 32 22.109 2.064 10.983 1.00 0.02 H new ATOM 502 N LEU A 33 21.476 6.959 3.613 1.00 0.02 N ATOM 503 CA LEU A 33 21.228 7.517 2.245 1.00 0.02 C ATOM 504 C LEU A 33 20.496 8.851 2.369 1.00 0.02 C ATOM 505 O LEU A 33 19.483 8.963 3.029 1.00 0.02 O ATOM 506 CB LEU A 33 20.313 6.559 1.468 1.00 1.66 C ATOM 507 CG LEU A 33 21.069 5.287 1.050 1.00 2.38 C ATOM 508 CD1 LEU A 33 20.080 4.321 0.380 1.00 3.32 C ATOM 509 CD2 LEU A 33 22.206 5.636 0.064 1.00 2.80 C ATOM 0 H LEU A 33 20.771 7.196 4.311 1.00 0.02 H new ATOM 0 HA LEU A 33 22.182 7.645 1.733 1.00 0.02 H new ATOM 0 HB2 LEU A 33 19.456 6.290 2.085 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.923 7.061 0.583 1.00 1.66 H new ATOM 0 HG LEU A 33 21.508 4.821 1.932 1.00 2.38 H new ATOM 0 HD11 LEU A 33 20.605 3.414 0.079 1.00 3.32 H new ATOM 0 HD12 LEU A 33 19.288 4.065 1.084 1.00 3.32 H new ATOM 0 HD13 LEU A 33 19.645 4.797 -0.499 1.00 3.32 H new ATOM 0 HD21 LEU A 33 22.732 4.725 -0.222 1.00 2.80 H new ATOM 0 HD22 LEU A 33 21.785 6.107 -0.825 1.00 2.80 H new ATOM 0 HD23 LEU A 33 22.904 6.323 0.542 1.00 2.80 H new ATOM 521 N SER A 34 21.022 9.869 1.738 1.00 0.02 N ATOM 522 CA SER A 34 20.388 11.211 1.807 1.00 0.02 C ATOM 523 C SER A 34 19.305 11.340 0.737 1.00 0.00 C ATOM 524 O SER A 34 18.526 12.272 0.744 1.00 0.01 O ATOM 525 CB SER A 34 21.453 12.284 1.580 1.00 0.02 C ATOM 526 OG SER A 34 22.052 12.088 0.307 1.00 0.02 O ATOM 0 H SER A 34 21.871 9.823 1.174 1.00 0.02 H new ATOM 0 HA SER A 34 19.933 11.339 2.789 1.00 0.02 H new ATOM 0 HB2 SER A 34 21.004 13.276 1.635 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.210 12.233 2.363 1.00 0.02 H new ATOM 0 HG SER A 34 22.734 12.775 0.157 1.00 0.02 H new ATOM 532 N ARG A 35 19.240 10.413 -0.183 1.00 0.02 N ATOM 533 CA ARG A 35 18.208 10.470 -1.256 1.00 0.01 C ATOM 534 C ARG A 35 18.263 9.154 -2.042 1.00 0.02 C ATOM 535 O ARG A 35 19.240 8.434 -1.985 1.00 0.02 O ATOM 536 CB ARG A 35 18.501 11.642 -2.196 1.00 0.02 C ATOM 537 CG ARG A 35 19.874 11.445 -2.842 1.00 0.02 C ATOM 538 CD ARG A 35 20.284 12.721 -3.579 1.00 0.02 C ATOM 539 NE ARG A 35 19.164 13.169 -4.455 1.00 0.02 N ATOM 540 CZ ARG A 35 19.168 14.377 -4.953 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.148 15.192 -4.676 1.00 0.00 N ATOM 542 NH2 ARG A 35 18.192 14.768 -5.724 1.00 0.02 N ATOM 0 H ARG A 35 19.867 9.610 -0.235 1.00 0.02 H new ATOM 0 HA ARG A 35 17.219 10.610 -0.819 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.731 11.707 -2.965 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.479 12.581 -1.642 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.614 11.200 -2.080 1.00 0.02 H new ATOM 0 HG3 ARG A 35 19.843 10.606 -3.537 1.00 0.02 H new ATOM 0 HD2 ARG A 35 20.535 13.503 -2.863 1.00 0.02 H new ATOM 0 HD3 ARG A 35 21.177 12.538 -4.177 1.00 0.02 H new ATOM 0 HE ARG A 35 18.395 12.533 -4.665 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.910 14.886 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.152 16.135 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.425 14.131 -5.939 1.00 0.02 H new ATOM 0 HH22 ARG A 35 18.195 15.711 -6.113 1.00 0.02 H new ATOM 556 N CYS A 36 17.234 8.834 -2.779 1.00 0.02 N ATOM 557 CA CYS A 36 17.232 7.565 -3.577 1.00 0.02 C ATOM 558 C CYS A 36 16.518 7.826 -4.906 1.00 0.02 C ATOM 559 O CYS A 36 15.351 8.164 -4.911 1.00 0.02 O ATOM 560 CB CYS A 36 16.489 6.480 -2.797 1.00 0.02 C ATOM 561 SG CYS A 36 16.106 5.096 -3.895 1.00 0.02 S ATOM 0 H CYS A 36 16.388 9.397 -2.866 1.00 0.02 H new ATOM 0 HA CYS A 36 18.254 7.235 -3.764 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.099 6.136 -1.962 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.570 6.887 -2.374 1.00 0.02 H new ATOM 0 HG CYS A 36 17.081 4.928 -4.738 1.00 0.02 H new ATOM 567 N ASN A 37 17.195 7.718 -6.034 1.00 0.02 N ATOM 568 CA ASN A 37 16.518 8.024 -7.346 1.00 0.01 C ATOM 569 C ASN A 37 16.290 6.760 -8.185 1.00 0.02 C ATOM 570 O ASN A 37 15.716 6.809 -9.256 1.00 0.02 O ATOM 571 CB ASN A 37 17.384 9.002 -8.144 1.00 0.02 C ATOM 572 CG ASN A 37 17.838 10.143 -7.231 1.00 0.01 C ATOM 573 OD1 ASN A 37 18.438 9.864 -6.106 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.644 11.301 -7.545 1.00 0.02 N flip ATOM 0 H ASN A 37 18.173 7.435 -6.103 1.00 0.02 H new ATOM 0 HA ASN A 37 15.544 8.460 -7.123 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.251 8.485 -8.556 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.820 9.399 -8.988 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.175 11.519 -8.424 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.950 12.054 -6.929 1.00 0.02 H new ATOM 581 N SER A 38 16.705 5.622 -7.695 1.00 0.02 N ATOM 582 CA SER A 38 16.487 4.349 -8.443 1.00 0.02 C ATOM 583 C SER A 38 16.475 3.198 -7.438 1.00 0.01 C ATOM 584 O SER A 38 17.043 3.292 -6.368 1.00 0.02 O ATOM 585 CB SER A 38 17.592 4.133 -9.478 1.00 0.01 C ATOM 586 OG SER A 38 17.387 2.889 -10.133 1.00 0.02 O ATOM 0 H SER A 38 17.189 5.519 -6.803 1.00 0.02 H new ATOM 0 HA SER A 38 15.537 4.395 -8.975 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.588 4.945 -10.205 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.568 4.145 -8.993 1.00 0.01 H new ATOM 0 HG SER A 38 16.426 2.703 -10.189 1.00 0.02 H new ATOM 592 N ILE A 39 15.805 2.118 -7.756 1.00 0.02 N ATOM 593 CA ILE A 39 15.731 0.975 -6.792 1.00 0.02 C ATOM 594 C ILE A 39 15.695 -0.361 -7.538 1.00 0.02 C ATOM 595 O ILE A 39 15.132 -0.486 -8.606 1.00 0.02 O ATOM 596 CB ILE A 39 14.438 1.100 -5.980 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.274 2.541 -5.492 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.497 0.157 -4.778 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.044 2.640 -4.589 1.00 0.00 C ATOM 0 H ILE A 39 15.309 1.978 -8.636 1.00 0.02 H new ATOM 0 HA ILE A 39 16.609 1.005 -6.147 1.00 0.02 H new ATOM 0 HB ILE A 39 13.589 0.834 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.164 2.854 -4.947 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.168 3.214 -6.343 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.577 0.246 -4.200 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.609 -0.870 -5.126 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.347 0.422 -4.149 1.00 0.01 H new ATOM 0 HD11 ILE A 39 12.929 3.667 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.157 2.344 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.168 1.979 -3.731 1.00 0.00 H new ATOM 611 N ARG A 40 16.264 -1.376 -6.933 1.00 0.02 N ATOM 612 CA ARG A 40 16.245 -2.747 -7.524 1.00 0.02 C ATOM 613 C ARG A 40 15.646 -3.693 -6.483 1.00 0.01 C ATOM 614 O ARG A 40 16.151 -3.797 -5.383 1.00 0.02 O ATOM 615 CB ARG A 40 17.655 -3.224 -7.887 1.00 0.01 C ATOM 616 CG ARG A 40 17.560 -4.457 -8.787 1.00 0.02 C ATOM 617 CD ARG A 40 18.963 -4.888 -9.211 1.00 0.02 C ATOM 618 NE ARG A 40 19.540 -3.867 -10.129 1.00 0.02 N ATOM 619 CZ ARG A 40 20.817 -3.869 -10.389 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.590 -4.765 -9.842 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.320 -2.975 -11.193 1.00 0.02 N ATOM 0 H ARG A 40 16.749 -1.308 -6.038 1.00 0.02 H new ATOM 0 HA ARG A 40 15.655 -2.734 -8.440 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.199 -2.429 -8.397 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.214 -3.463 -6.982 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.063 -5.270 -8.257 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.956 -4.233 -9.666 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.600 -5.005 -8.334 1.00 0.02 H new ATOM 0 HD3 ARG A 40 18.923 -5.858 -9.707 1.00 0.02 H new ATOM 0 HE ARG A 40 18.935 -3.165 -10.555 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.195 -5.463 -9.212 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.590 -4.768 -10.044 1.00 0.02 H new ATOM 0 HH21 ARG A 40 20.714 -2.274 -11.619 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.320 -2.977 -11.396 1.00 0.02 H new ATOM 635 N VAL A 41 14.612 -4.421 -6.824 1.00 0.02 N ATOM 636 CA VAL A 41 14.028 -5.401 -5.858 1.00 0.01 C ATOM 637 C VAL A 41 14.446 -6.791 -6.328 1.00 0.02 C ATOM 638 O VAL A 41 14.058 -7.232 -7.391 1.00 0.02 O ATOM 639 CB VAL A 41 12.507 -5.273 -5.828 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.952 -6.172 -4.721 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.138 -3.821 -5.521 1.00 0.00 C ATOM 0 H VAL A 41 14.147 -4.379 -7.731 1.00 0.02 H new ATOM 0 HA VAL A 41 14.387 -5.215 -4.846 1.00 0.01 H new ATOM 0 HB VAL A 41 12.090 -5.569 -6.790 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.866 -6.086 -4.693 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.229 -7.207 -4.920 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.365 -5.864 -3.761 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.053 -3.719 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.551 -3.538 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.547 -3.170 -6.294 1.00 0.00 H new ATOM 651 N GLU A 42 15.254 -7.474 -5.557 1.00 0.01 N ATOM 652 CA GLU A 42 15.729 -8.824 -5.981 1.00 0.01 C ATOM 653 C GLU A 42 14.716 -9.886 -5.584 1.00 0.02 C ATOM 654 O GLU A 42 14.538 -10.866 -6.280 1.00 0.01 O ATOM 655 CB GLU A 42 17.078 -9.126 -5.319 1.00 0.99 C ATOM 656 CG GLU A 42 17.776 -10.265 -6.070 1.00 1.86 C ATOM 657 CD GLU A 42 19.000 -10.723 -5.276 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.926 -9.938 -5.149 1.00 3.81 O ATOM 659 OE2 GLU A 42 18.990 -11.850 -4.806 1.00 3.67 O ATOM 0 H GLU A 42 15.604 -7.155 -4.654 1.00 0.01 H new ATOM 0 HA GLU A 42 15.845 -8.834 -7.065 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.705 -8.235 -5.325 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.928 -9.403 -4.275 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.087 -11.098 -6.210 1.00 1.86 H new ATOM 0 HG3 GLU A 42 18.077 -9.930 -7.062 1.00 1.86 H new ATOM 666 N GLY A 43 14.050 -9.726 -4.474 1.00 0.01 N ATOM 667 CA GLY A 43 13.068 -10.772 -4.075 1.00 0.02 C ATOM 668 C GLY A 43 12.099 -10.234 -3.029 1.00 0.02 C ATOM 669 O GLY A 43 12.460 -9.407 -2.212 1.00 0.02 O ATOM 0 H GLY A 43 14.140 -8.934 -3.838 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.514 -11.110 -4.951 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.595 -11.639 -3.677 1.00 0.02 H new ATOM 673 N GLY A 44 10.887 -10.723 -3.027 1.00 0.00 N ATOM 674 CA GLY A 44 9.895 -10.259 -2.015 1.00 0.01 C ATOM 675 C GLY A 44 9.195 -8.987 -2.502 1.00 0.01 C ATOM 676 O GLY A 44 9.577 -8.392 -3.488 1.00 0.01 O ATOM 0 H GLY A 44 10.542 -11.424 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.158 -11.041 -1.833 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.396 -10.066 -1.066 1.00 0.01 H new ATOM 680 N THR A 45 8.189 -8.557 -1.782 1.00 0.01 N ATOM 681 CA THR A 45 7.456 -7.300 -2.145 1.00 0.00 C ATOM 682 C THR A 45 7.629 -6.318 -0.990 1.00 0.01 C ATOM 683 O THR A 45 7.551 -6.703 0.158 1.00 0.01 O ATOM 684 CB THR A 45 5.967 -7.621 -2.342 1.00 0.73 C ATOM 685 OG1 THR A 45 5.810 -8.407 -3.514 1.00 0.88 O ATOM 686 CG2 THR A 45 5.161 -6.324 -2.482 1.00 1.48 C ATOM 0 H THR A 45 7.839 -9.028 -0.948 1.00 0.01 H new ATOM 0 HA THR A 45 7.846 -6.872 -3.069 1.00 0.00 H new ATOM 0 HB THR A 45 5.601 -8.172 -1.476 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.861 -8.616 -3.643 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.107 -6.564 -2.621 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.280 -5.722 -1.581 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.522 -5.762 -3.344 1.00 1.48 H new ATOM 694 N TRP A 46 7.939 -5.070 -1.264 1.00 0.02 N ATOM 695 CA TRP A 46 8.191 -4.096 -0.147 1.00 0.01 C ATOM 696 C TRP A 46 7.338 -2.835 -0.273 1.00 0.01 C ATOM 697 O TRP A 46 6.963 -2.405 -1.345 1.00 0.01 O ATOM 698 CB TRP A 46 9.664 -3.688 -0.176 1.00 0.00 C ATOM 699 CG TRP A 46 10.517 -4.884 0.104 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.705 -5.922 -0.743 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.297 -5.182 1.297 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.551 -6.838 -0.146 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.943 -6.427 1.113 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.505 -4.500 2.511 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.766 -6.975 2.096 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.331 -5.050 3.501 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.962 -6.285 3.295 1.00 0.01 C ATOM 0 H TRP A 46 8.028 -4.685 -2.204 1.00 0.02 H new ATOM 0 HA TRP A 46 7.928 -4.589 0.789 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.917 -3.267 -1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.852 -2.912 0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.266 -6.019 -1.725 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.849 -7.711 -0.582 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.025 -3.547 2.681 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.249 -7.927 1.932 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.482 -4.519 4.429 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.598 -6.702 4.062 1.00 0.01 H new ATOM 718 N ALA A 47 7.094 -2.216 0.853 1.00 0.01 N ATOM 719 CA ALA A 47 6.338 -0.934 0.896 1.00 0.01 C ATOM 720 C ALA A 47 7.372 0.131 1.243 1.00 0.01 C ATOM 721 O ALA A 47 8.156 -0.033 2.155 1.00 0.01 O ATOM 722 CB ALA A 47 5.249 -0.997 1.973 1.00 0.24 C ATOM 0 H ALA A 47 7.396 -2.557 1.766 1.00 0.01 H new ATOM 0 HA ALA A 47 5.839 -0.721 -0.049 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.703 -0.054 1.994 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.559 -1.810 1.746 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.709 -1.172 2.946 1.00 0.24 H new ATOM 728 N VAL A 48 7.366 1.234 0.537 1.00 0.01 N ATOM 729 CA VAL A 48 8.337 2.335 0.835 1.00 0.02 C ATOM 730 C VAL A 48 7.566 3.582 1.260 1.00 0.01 C ATOM 731 O VAL A 48 6.505 3.865 0.737 1.00 0.01 O ATOM 732 CB VAL A 48 9.177 2.643 -0.408 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.954 1.390 -0.815 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.255 3.066 -1.554 1.00 0.65 C ATOM 0 H VAL A 48 6.728 1.421 -0.237 1.00 0.01 H new ATOM 0 HA VAL A 48 9.002 2.024 1.640 1.00 0.02 H new ATOM 0 HB VAL A 48 9.875 3.451 -0.187 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.553 1.605 -1.700 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.609 1.086 0.002 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.254 0.584 -1.038 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.852 3.285 -2.439 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.558 2.258 -1.777 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.697 3.956 -1.263 1.00 0.65 H new ATOM 744 N TYR A 49 8.089 4.320 2.209 1.00 0.01 N ATOM 745 CA TYR A 49 7.388 5.555 2.691 1.00 0.01 C ATOM 746 C TYR A 49 8.283 6.780 2.485 1.00 0.01 C ATOM 747 O TYR A 49 9.497 6.720 2.569 1.00 0.02 O ATOM 748 CB TYR A 49 7.055 5.397 4.174 1.00 0.01 C ATOM 749 CG TYR A 49 6.155 4.197 4.359 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.682 2.905 4.248 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.796 4.376 4.651 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.852 1.793 4.424 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.967 3.262 4.829 1.00 0.01 C ATOM 754 CZ TYR A 49 4.496 1.972 4.715 1.00 0.02 C ATOM 755 OH TYR A 49 3.678 0.875 4.893 1.00 0.01 O ATOM 0 H TYR A 49 8.975 4.120 2.673 1.00 0.01 H new ATOM 0 HA TYR A 49 6.468 5.695 2.123 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.970 5.272 4.753 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.563 6.296 4.546 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.730 2.767 4.026 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.389 5.372 4.739 1.00 0.01 H new ATOM 0 HE1 TYR A 49 6.258 0.796 4.335 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.920 3.398 5.054 1.00 0.01 H new ATOM 0 HH TYR A 49 3.045 0.814 4.147 1.00 0.01 H new ATOM 765 N GLU A 50 7.667 7.886 2.169 1.00 0.01 N ATOM 766 CA GLU A 50 8.426 9.137 1.888 1.00 0.01 C ATOM 767 C GLU A 50 9.139 9.654 3.139 1.00 0.01 C ATOM 768 O GLU A 50 10.201 10.239 3.038 1.00 0.02 O ATOM 769 CB GLU A 50 7.442 10.201 1.399 1.00 0.02 C ATOM 770 CG GLU A 50 8.213 11.439 0.941 1.00 0.01 C ATOM 771 CD GLU A 50 7.247 12.435 0.295 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.942 12.262 -0.872 1.00 0.01 O ATOM 773 OE2 GLU A 50 6.827 13.352 0.979 1.00 0.02 O ATOM 0 H GLU A 50 6.654 7.977 2.093 1.00 0.01 H new ATOM 0 HA GLU A 50 9.182 8.924 1.132 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.844 9.808 0.577 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.750 10.466 2.198 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.715 11.902 1.790 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.988 11.155 0.229 1.00 0.01 H new ATOM 780 N ARG A 51 8.571 9.476 4.312 1.00 0.02 N ATOM 781 CA ARG A 51 9.234 10.000 5.557 1.00 0.02 C ATOM 782 C ARG A 51 9.423 8.847 6.566 1.00 0.01 C ATOM 783 O ARG A 51 8.733 7.843 6.497 1.00 0.02 O ATOM 784 CB ARG A 51 8.313 11.084 6.166 1.00 0.02 C ATOM 785 CG ARG A 51 8.749 12.479 5.693 1.00 0.01 C ATOM 786 CD ARG A 51 7.845 13.539 6.324 1.00 0.02 C ATOM 787 NE ARG A 51 8.098 14.857 5.678 1.00 0.02 N ATOM 788 CZ ARG A 51 7.247 15.835 5.836 1.00 0.02 C ATOM 789 NH1 ARG A 51 6.178 15.658 6.561 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.467 16.991 5.270 1.00 0.01 N ATOM 0 H ARG A 51 7.684 8.995 4.462 1.00 0.02 H new ATOM 0 HA ARG A 51 10.211 10.422 5.322 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.279 10.900 5.873 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.350 11.033 7.254 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.787 12.660 5.970 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.694 12.539 4.606 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.799 13.258 6.204 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.036 13.604 7.395 1.00 0.02 H new ATOM 0 HE ARG A 51 8.935 14.996 5.112 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.006 14.756 7.005 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.513 16.422 6.684 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.304 17.131 4.704 1.00 0.01 H new ATOM 0 HH22 ARG A 51 6.802 17.754 5.394 1.00 0.01 H new ATOM 804 N PRO A 52 10.356 8.990 7.499 1.00 0.02 N ATOM 805 CA PRO A 52 10.623 7.926 8.516 1.00 0.02 C ATOM 806 C PRO A 52 9.362 7.503 9.278 1.00 0.01 C ATOM 807 O PRO A 52 8.341 8.159 9.256 1.00 0.02 O ATOM 808 CB PRO A 52 11.655 8.597 9.451 1.00 0.02 C ATOM 809 CG PRO A 52 11.849 10.054 8.993 1.00 0.01 C ATOM 810 CD PRO A 52 11.209 10.213 7.607 1.00 0.01 C ATOM 0 HA PRO A 52 10.979 6.999 8.066 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.307 8.567 10.484 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.603 8.060 9.418 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.389 10.740 9.704 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.910 10.301 8.952 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.619 11.126 7.536 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.959 10.255 6.817 1.00 0.01 H new ATOM 818 N ASN A 53 9.474 6.406 9.980 1.00 0.02 N ATOM 819 CA ASN A 53 8.341 5.898 10.801 1.00 0.02 C ATOM 820 C ASN A 53 7.151 5.522 9.918 1.00 0.01 C ATOM 821 O ASN A 53 6.005 5.693 10.282 1.00 0.01 O ATOM 822 CB ASN A 53 7.929 6.976 11.809 1.00 0.01 C ATOM 823 CG ASN A 53 9.179 7.652 12.373 1.00 0.02 C ATOM 824 OD1 ASN A 53 10.115 6.988 12.774 1.00 0.02 O ATOM 825 ND2 ASN A 53 9.233 8.956 12.425 1.00 0.01 N ATOM 0 H ASN A 53 10.317 5.833 10.018 1.00 0.02 H new ATOM 0 HA ASN A 53 8.662 5.001 11.330 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.290 7.715 11.326 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.348 6.531 12.616 1.00 0.01 H new ATOM 0 HD21 ASN A 53 10.061 9.418 12.802 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.447 9.513 12.088 1.00 0.01 H new ATOM 832 N PHE A 54 7.430 4.983 8.761 1.00 0.02 N ATOM 833 CA PHE A 54 6.347 4.557 7.836 1.00 0.01 C ATOM 834 C PHE A 54 5.264 5.632 7.737 1.00 0.01 C ATOM 835 O PHE A 54 4.088 5.368 7.901 1.00 0.02 O ATOM 836 CB PHE A 54 5.745 3.241 8.345 1.00 1.78 C ATOM 837 CG PHE A 54 6.842 2.383 8.934 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.975 2.079 8.168 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.732 1.895 10.244 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.995 1.285 8.710 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.754 1.103 10.785 1.00 3.32 C ATOM 842 CZ PHE A 54 8.883 0.799 10.017 1.00 3.39 C ATOM 0 H PHE A 54 8.376 4.819 8.416 1.00 0.02 H new ATOM 0 HA PHE A 54 6.764 4.409 6.840 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.983 3.444 9.097 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.254 2.713 7.528 1.00 1.78 H new ATOM 0 HD1 PHE A 54 8.062 2.456 7.160 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.860 2.129 10.836 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.867 1.048 8.119 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.670 0.728 11.794 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.670 0.188 10.434 1.00 3.39 H new ATOM 852 N SER A 55 5.670 6.851 7.465 1.00 0.02 N ATOM 853 CA SER A 55 4.692 7.983 7.343 1.00 0.02 C ATOM 854 C SER A 55 4.878 8.691 5.996 1.00 0.01 C ATOM 855 O SER A 55 5.878 8.519 5.327 1.00 0.01 O ATOM 856 CB SER A 55 4.939 8.980 8.476 1.00 1.90 C ATOM 857 OG SER A 55 4.624 8.364 9.718 1.00 2.33 O ATOM 0 H SER A 55 6.645 7.113 7.321 1.00 0.02 H new ATOM 0 HA SER A 55 3.676 7.592 7.404 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.980 9.304 8.471 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.327 9.871 8.333 1.00 1.90 H new ATOM 0 HG SER A 55 5.139 7.535 9.812 1.00 2.33 H new ATOM 863 N GLY A 56 3.912 9.474 5.584 1.00 0.02 N ATOM 864 CA GLY A 56 4.017 10.182 4.272 1.00 0.02 C ATOM 865 C GLY A 56 3.452 9.294 3.158 1.00 0.02 C ATOM 866 O GLY A 56 2.710 8.367 3.414 1.00 0.00 O ATOM 0 H GLY A 56 3.052 9.654 6.102 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.470 11.124 4.312 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.058 10.426 4.062 1.00 0.02 H new ATOM 870 N HIS A 57 3.769 9.578 1.924 1.00 0.02 N ATOM 871 CA HIS A 57 3.218 8.755 0.806 1.00 0.02 C ATOM 872 C HIS A 57 3.749 7.323 0.898 1.00 0.01 C ATOM 873 O HIS A 57 4.911 7.110 1.172 1.00 0.01 O ATOM 874 CB HIS A 57 3.634 9.368 -0.534 1.00 0.00 C ATOM 875 CG HIS A 57 3.324 10.842 -0.529 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.909 11.902 0.121 1.00 0.01 N flip ATOM 877 CD2 HIS A 57 2.284 11.382 -1.272 1.00 0.01 C flip ATOM 878 CE1 HIS A 57 3.245 13.079 -0.211 1.00 0.02 C flip ATOM 879 NE2 HIS A 57 2.275 12.710 -1.052 1.00 0.01 N flip ATOM 0 H HIS A 57 4.383 10.341 1.641 1.00 0.02 H new ATOM 0 HA HIS A 57 2.131 8.738 0.879 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.699 9.210 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.105 8.877 -1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.605 10.836 -1.911 1.00 0.01 H new ATOM 0 HE1 HIS A 57 3.467 14.077 0.137 1.00 0.02 H new ATOM 0 HE2 HIS A 57 1.609 13.356 -1.476 1.00 0.01 H new ATOM 887 N MET A 58 2.898 6.348 0.660 1.00 0.02 N ATOM 888 CA MET A 58 3.329 4.911 0.721 1.00 0.02 C ATOM 889 C MET A 58 3.142 4.261 -0.656 1.00 0.01 C ATOM 890 O MET A 58 2.153 4.478 -1.328 1.00 0.01 O ATOM 891 CB MET A 58 2.467 4.173 1.751 1.00 2.61 C ATOM 892 CG MET A 58 2.964 2.731 1.904 1.00 3.46 C ATOM 893 SD MET A 58 1.919 1.852 3.094 1.00 4.50 S ATOM 894 CE MET A 58 0.379 1.898 2.144 1.00 5.01 C ATOM 0 H MET A 58 1.916 6.488 0.424 1.00 0.02 H new ATOM 0 HA MET A 58 4.379 4.855 1.009 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.511 4.687 2.711 1.00 2.61 H new ATOM 0 HB3 MET A 58 1.424 4.177 1.435 1.00 2.61 H new ATOM 0 HG2 MET A 58 2.941 2.223 0.940 1.00 3.46 H new ATOM 0 HG3 MET A 58 4.000 2.727 2.242 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.246 1.050 2.424 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.152 2.826 2.356 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.607 1.846 1.079 1.00 5.01 H new ATOM 904 N TYR A 59 4.096 3.469 -1.079 1.00 0.02 N ATOM 905 CA TYR A 59 4.007 2.793 -2.418 1.00 0.01 C ATOM 906 C TYR A 59 4.411 1.318 -2.286 1.00 0.01 C ATOM 907 O TYR A 59 5.352 0.976 -1.601 1.00 0.02 O ATOM 908 CB TYR A 59 4.962 3.477 -3.395 1.00 0.01 C ATOM 909 CG TYR A 59 4.430 4.845 -3.747 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.502 4.986 -4.786 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.867 5.972 -3.040 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.012 6.254 -5.119 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.375 7.240 -3.372 1.00 0.01 C ATOM 914 CZ TYR A 59 3.449 7.382 -4.412 1.00 0.01 C ATOM 915 OH TYR A 59 2.966 8.633 -4.739 1.00 0.01 O ATOM 0 H TYR A 59 4.943 3.258 -0.551 1.00 0.02 H new ATOM 0 HA TYR A 59 2.982 2.862 -2.783 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.953 3.564 -2.950 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.070 2.874 -4.297 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.164 4.116 -5.330 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.583 5.863 -2.239 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.297 6.363 -5.921 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.710 8.109 -2.825 1.00 0.01 H new ATOM 0 HH TYR A 59 2.159 8.819 -4.215 1.00 0.01 H new ATOM 925 N ILE A 60 3.699 0.446 -2.963 1.00 0.02 N ATOM 926 CA ILE A 60 4.019 -1.017 -2.920 1.00 0.01 C ATOM 927 C ILE A 60 4.926 -1.362 -4.109 1.00 0.01 C ATOM 928 O ILE A 60 4.649 -0.981 -5.229 1.00 0.01 O ATOM 929 CB ILE A 60 2.719 -1.826 -3.029 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.639 -1.227 -2.110 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.984 -3.281 -2.642 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.093 -1.248 -0.645 1.00 1.72 C ATOM 0 H ILE A 60 2.901 0.690 -3.550 1.00 0.02 H new ATOM 0 HA ILE A 60 4.522 -1.258 -1.983 1.00 0.01 H new ATOM 0 HB ILE A 60 2.363 -1.786 -4.058 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.425 -0.202 -2.414 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.712 -1.791 -2.216 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.059 -3.853 -2.720 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.731 -3.706 -3.313 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.351 -3.324 -1.617 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.313 -0.820 -0.016 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.283 -2.276 -0.338 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.007 -0.663 -0.539 1.00 1.72 H new ATOM 944 N LEU A 61 6.021 -2.052 -3.870 1.00 0.01 N ATOM 945 CA LEU A 61 6.973 -2.392 -4.984 1.00 0.01 C ATOM 946 C LEU A 61 7.143 -3.932 -5.117 1.00 0.01 C ATOM 947 O LEU A 61 7.759 -4.548 -4.269 1.00 0.00 O ATOM 948 CB LEU A 61 8.352 -1.750 -4.649 1.00 0.01 C ATOM 949 CG LEU A 61 8.719 -0.663 -5.676 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.872 0.183 -5.134 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.159 -1.320 -6.988 1.00 0.01 C ATOM 0 H LEU A 61 6.297 -2.395 -2.950 1.00 0.01 H new ATOM 0 HA LEU A 61 6.581 -2.010 -5.927 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.322 -1.316 -3.650 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.123 -2.521 -4.639 1.00 0.01 H new ATOM 0 HG LEU A 61 7.848 -0.032 -5.855 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.132 0.952 -5.861 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.569 0.655 -4.199 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.738 -0.454 -4.955 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.418 -0.548 -7.713 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.028 -1.952 -6.805 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.344 -1.928 -7.381 1.00 0.01 H new ATOM 963 N PRO A 62 6.647 -4.561 -6.179 1.00 0.02 N ATOM 964 CA PRO A 62 6.849 -6.028 -6.351 1.00 0.01 C ATOM 965 C PRO A 62 8.276 -6.316 -6.850 1.00 0.00 C ATOM 966 O PRO A 62 8.998 -5.415 -7.227 1.00 0.02 O ATOM 967 CB PRO A 62 5.794 -6.384 -7.409 1.00 1.47 C ATOM 968 CG PRO A 62 5.377 -5.082 -8.116 1.00 1.29 C ATOM 969 CD PRO A 62 5.856 -3.893 -7.258 1.00 0.82 C ATOM 0 HA PRO A 62 6.742 -6.606 -5.433 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.199 -7.096 -8.128 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.931 -6.859 -6.943 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.816 -5.033 -9.112 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.295 -5.048 -8.243 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.466 -3.197 -7.835 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.020 -3.324 -6.853 1.00 0.82 H new ATOM 977 N GLN A 63 8.691 -7.555 -6.853 1.00 0.02 N ATOM 978 CA GLN A 63 10.072 -7.884 -7.321 1.00 0.00 C ATOM 979 C GLN A 63 10.317 -7.310 -8.719 1.00 0.00 C ATOM 980 O GLN A 63 9.447 -7.338 -9.567 1.00 0.02 O ATOM 981 CB GLN A 63 10.236 -9.403 -7.364 1.00 1.27 C ATOM 982 CG GLN A 63 9.049 -10.026 -8.100 1.00 1.67 C ATOM 983 CD GLN A 63 9.248 -11.540 -8.199 1.00 2.43 C ATOM 984 OE1 GLN A 63 8.343 -12.302 -7.923 1.00 4.25 O ATOM 985 NE2 GLN A 63 10.402 -12.010 -8.584 1.00 3.04 N ATOM 0 H GLN A 63 8.134 -8.355 -6.552 1.00 0.02 H new ATOM 0 HA GLN A 63 10.793 -7.446 -6.631 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.167 -9.664 -7.867 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.299 -9.801 -6.351 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.122 -9.804 -7.571 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.958 -9.594 -9.097 1.00 1.67 H new ATOM 0 HE21 GLN A 63 11.162 -11.370 -8.816 1.00 3.04 H new ATOM 0 HE22 GLN A 63 10.545 -13.018 -8.653 1.00 3.04 H new ATOM 994 N GLY A 64 11.497 -6.794 -8.979 1.00 0.02 N ATOM 995 CA GLY A 64 11.772 -6.236 -10.337 1.00 0.01 C ATOM 996 C GLY A 64 12.888 -5.186 -10.274 1.00 0.02 C ATOM 997 O GLY A 64 13.471 -4.937 -9.237 1.00 0.02 O ATOM 0 H GLY A 64 12.271 -6.737 -8.317 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.060 -7.040 -11.015 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.865 -5.787 -10.742 1.00 0.01 H new ATOM 1001 N GLU A 65 13.190 -4.573 -11.393 1.00 0.02 N ATOM 1002 CA GLU A 65 14.270 -3.534 -11.438 1.00 0.02 C ATOM 1003 C GLU A 65 13.679 -2.195 -11.886 1.00 0.02 C ATOM 1004 O GLU A 65 12.984 -2.107 -12.879 1.00 0.02 O ATOM 1005 CB GLU A 65 15.336 -3.971 -12.446 1.00 0.77 C ATOM 1006 CG GLU A 65 16.445 -2.921 -12.503 1.00 0.49 C ATOM 1007 CD GLU A 65 17.604 -3.446 -13.352 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.446 -3.515 -14.561 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.630 -3.771 -12.779 1.00 0.96 O ATOM 0 H GLU A 65 12.730 -4.749 -12.286 1.00 0.02 H new ATOM 0 HA GLU A 65 14.711 -3.423 -10.447 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.750 -4.937 -12.158 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.889 -4.097 -13.432 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.060 -1.994 -12.928 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.793 -2.690 -11.496 1.00 0.49 H new ATOM 1016 N TYR A 66 13.974 -1.148 -11.154 1.00 0.02 N ATOM 1017 CA TYR A 66 13.471 0.214 -11.503 1.00 0.02 C ATOM 1018 C TYR A 66 14.687 1.146 -11.692 1.00 0.02 C ATOM 1019 O TYR A 66 15.205 1.676 -10.724 1.00 0.02 O ATOM 1020 CB TYR A 66 12.618 0.719 -10.340 1.00 0.01 C ATOM 1021 CG TYR A 66 11.450 -0.220 -10.160 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.623 -1.427 -9.473 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.198 0.112 -10.689 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.544 -2.304 -9.318 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.118 -0.765 -10.535 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.290 -1.972 -9.848 1.00 0.02 C ATOM 1027 OH TYR A 66 8.226 -2.838 -9.695 1.00 0.01 O ATOM 0 H TYR A 66 14.553 -1.183 -10.315 1.00 0.02 H new ATOM 0 HA TYR A 66 12.878 0.191 -12.417 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.211 0.765 -9.427 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.264 1.730 -10.541 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.589 -1.681 -9.063 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.065 1.045 -11.216 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.678 -3.237 -8.790 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.152 -0.510 -10.946 1.00 0.02 H new ATOM 0 HH TYR A 66 7.430 -2.456 -10.120 1.00 0.01 H new ATOM 1037 N PRO A 67 15.162 1.337 -12.912 1.00 0.01 N ATOM 1038 CA PRO A 67 16.353 2.209 -13.146 1.00 0.02 C ATOM 1039 C PRO A 67 16.110 3.701 -12.856 1.00 0.02 C ATOM 1040 O PRO A 67 17.026 4.497 -12.931 1.00 0.02 O ATOM 1041 CB PRO A 67 16.663 1.975 -14.643 1.00 0.02 C ATOM 1042 CG PRO A 67 15.615 0.999 -15.217 1.00 0.02 C ATOM 1043 CD PRO A 67 14.573 0.697 -14.125 1.00 0.01 C ATOM 0 HA PRO A 67 17.170 1.955 -12.471 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.638 2.919 -15.187 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.666 1.566 -14.762 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.131 1.435 -16.091 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.096 0.078 -15.545 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.598 1.118 -14.370 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.432 -0.375 -13.987 1.00 0.01 H new ATOM 1051 N GLU A 68 14.913 4.098 -12.511 1.00 0.01 N ATOM 1052 CA GLU A 68 14.677 5.544 -12.212 1.00 0.01 C ATOM 1053 C GLU A 68 13.428 5.656 -11.336 1.00 0.03 C ATOM 1054 O GLU A 68 12.582 4.786 -11.314 1.00 0.02 O ATOM 1055 CB GLU A 68 14.446 6.325 -13.512 1.00 0.69 C ATOM 1056 CG GLU A 68 15.749 6.418 -14.312 1.00 1.09 C ATOM 1057 CD GLU A 68 15.606 7.485 -15.399 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.957 8.485 -15.138 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.148 7.283 -16.473 1.00 2.02 O ATOM 0 H GLU A 68 14.097 3.493 -12.424 1.00 0.01 H new ATOM 0 HA GLU A 68 15.547 5.958 -11.702 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.679 5.833 -14.109 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.079 7.326 -13.283 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.578 6.668 -13.649 1.00 1.09 H new ATOM 0 HG3 GLU A 68 15.981 5.453 -14.763 1.00 1.09 H new ATOM 1066 N TYR A 69 13.341 6.713 -10.577 1.00 0.02 N ATOM 1067 CA TYR A 69 12.189 6.871 -9.649 1.00 0.02 C ATOM 1068 C TYR A 69 10.851 6.894 -10.393 1.00 0.01 C ATOM 1069 O TYR A 69 9.869 6.344 -9.933 1.00 0.01 O ATOM 1070 CB TYR A 69 12.367 8.138 -8.803 1.00 0.02 C ATOM 1071 CG TYR A 69 12.667 9.326 -9.691 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.967 9.539 -10.162 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.647 10.224 -10.028 1.00 0.02 C ATOM 1074 CE1 TYR A 69 14.246 10.644 -10.975 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.926 11.330 -10.839 1.00 0.02 C ATOM 1076 CZ TYR A 69 13.226 11.540 -11.312 1.00 0.02 C ATOM 1077 OH TYR A 69 13.504 12.631 -12.110 1.00 0.01 O ATOM 0 H TYR A 69 14.019 7.475 -10.560 1.00 0.02 H new ATOM 0 HA TYR A 69 12.169 6.003 -8.990 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.463 8.327 -8.225 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.178 7.995 -8.089 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.756 8.850 -9.898 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.644 10.063 -9.662 1.00 0.02 H new ATOM 0 HE1 TYR A 69 15.249 10.805 -11.342 1.00 0.02 H new ATOM 0 HE2 TYR A 69 11.138 12.021 -11.100 1.00 0.02 H new ATOM 0 HH TYR A 69 12.685 13.151 -12.249 1.00 0.01 H new ATOM 1087 N GLN A 70 10.797 7.524 -11.536 1.00 0.01 N ATOM 1088 CA GLN A 70 9.520 7.574 -12.307 1.00 0.02 C ATOM 1089 C GLN A 70 9.058 6.153 -12.654 1.00 0.01 C ATOM 1090 O GLN A 70 7.891 5.903 -12.881 1.00 0.02 O ATOM 1091 CB GLN A 70 9.747 8.362 -13.604 1.00 0.01 C ATOM 1092 CG GLN A 70 9.732 9.864 -13.309 1.00 0.01 C ATOM 1093 CD GLN A 70 8.290 10.333 -13.103 1.00 0.02 C ATOM 1094 OE1 GLN A 70 7.357 9.666 -13.507 1.00 0.01 O ATOM 1095 NE2 GLN A 70 8.065 11.459 -12.486 1.00 0.02 N ATOM 0 H GLN A 70 11.583 8.007 -11.970 1.00 0.01 H new ATOM 0 HA GLN A 70 8.755 8.060 -11.702 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.701 8.079 -14.050 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.971 8.117 -14.329 1.00 0.01 H new ATOM 0 HG2 GLN A 70 10.324 10.076 -12.419 1.00 0.01 H new ATOM 0 HG3 GLN A 70 10.189 10.411 -14.134 1.00 0.01 H new ATOM 0 HE21 GLN A 70 8.847 12.020 -12.147 1.00 0.02 H new ATOM 0 HE22 GLN A 70 7.107 11.779 -12.343 1.00 0.02 H new ATOM 1104 N ARG A 71 9.977 5.221 -12.691 1.00 0.01 N ATOM 1105 CA ARG A 71 9.604 3.816 -13.017 1.00 0.02 C ATOM 1106 C ARG A 71 8.811 3.230 -11.850 1.00 0.01 C ATOM 1107 O ARG A 71 8.105 2.248 -11.984 1.00 0.02 O ATOM 1108 CB ARG A 71 10.871 2.986 -13.251 1.00 0.34 C ATOM 1109 CG ARG A 71 11.702 3.603 -14.390 1.00 0.72 C ATOM 1110 CD ARG A 71 11.180 3.120 -15.750 1.00 1.04 C ATOM 1111 NE ARG A 71 11.228 1.631 -15.805 1.00 1.67 N ATOM 1112 CZ ARG A 71 10.564 0.991 -16.729 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.858 1.654 -17.605 1.00 2.54 N ATOM 1114 NH2 ARG A 71 10.608 -0.311 -16.778 1.00 3.42 N ATOM 0 H ARG A 71 10.969 5.375 -12.509 1.00 0.01 H new ATOM 0 HA ARG A 71 8.996 3.796 -13.921 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.464 2.947 -12.337 1.00 0.34 H new ATOM 0 HB3 ARG A 71 10.602 1.960 -13.501 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.652 4.691 -14.339 1.00 0.72 H new ATOM 0 HG3 ARG A 71 12.750 3.327 -14.276 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.158 3.467 -15.902 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.783 3.543 -16.553 1.00 1.04 H new ATOM 0 HE ARG A 71 11.779 1.113 -15.121 1.00 1.67 H new ATOM 0 HH11 ARG A 71 9.825 2.673 -17.568 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.340 1.153 -18.327 1.00 2.54 H new ATOM 0 HH21 ARG A 71 11.161 -0.829 -16.095 1.00 3.42 H new ATOM 0 HH22 ARG A 71 10.090 -0.812 -17.500 1.00 3.42 H new ATOM 1128 N TRP A 72 8.932 3.841 -10.704 1.00 0.02 N ATOM 1129 CA TRP A 72 8.209 3.370 -9.485 1.00 0.01 C ATOM 1130 C TRP A 72 7.096 4.386 -9.186 1.00 0.01 C ATOM 1131 O TRP A 72 6.470 4.366 -8.147 1.00 0.02 O ATOM 1132 CB TRP A 72 9.251 3.272 -8.340 1.00 0.02 C ATOM 1133 CG TRP A 72 8.672 3.617 -7.001 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.694 2.932 -6.368 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.044 4.712 -6.117 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.431 3.548 -5.157 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.240 4.649 -4.957 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.989 5.749 -6.211 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.369 5.582 -3.926 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.122 6.689 -5.175 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.314 6.606 -4.036 1.00 0.02 C ATOM 0 H TRP A 72 9.514 4.665 -10.557 1.00 0.02 H new ATOM 0 HA TRP A 72 7.747 2.391 -9.610 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.655 2.260 -8.307 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.085 3.941 -8.554 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.199 2.049 -6.745 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.726 3.228 -4.493 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.617 5.824 -7.086 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.742 5.513 -3.049 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.852 7.480 -5.259 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.420 7.332 -3.243 1.00 0.02 H new ATOM 1152 N MET A 73 6.860 5.276 -10.114 1.00 0.02 N ATOM 1153 CA MET A 73 5.804 6.318 -9.942 1.00 0.02 C ATOM 1154 C MET A 73 6.096 7.182 -8.711 1.00 0.01 C ATOM 1155 O MET A 73 5.211 7.782 -8.132 1.00 0.02 O ATOM 1156 CB MET A 73 4.425 5.656 -9.800 1.00 0.02 C ATOM 1157 CG MET A 73 4.128 4.806 -11.039 1.00 0.01 C ATOM 1158 SD MET A 73 5.000 3.225 -10.916 1.00 0.01 S ATOM 1159 CE MET A 73 4.609 2.621 -12.576 1.00 0.01 C ATOM 0 H MET A 73 7.364 5.326 -11.000 1.00 0.02 H new ATOM 0 HA MET A 73 5.804 6.957 -10.825 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.401 5.033 -8.906 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.656 6.419 -9.678 1.00 0.02 H new ATOM 0 HG2 MET A 73 3.055 4.635 -11.126 1.00 0.01 H new ATOM 0 HG3 MET A 73 4.440 5.336 -11.939 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.057 1.638 -12.721 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.528 2.547 -12.691 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.006 3.314 -13.318 1.00 0.01 H new ATOM 1169 N GLY A 74 7.341 7.245 -8.312 1.00 0.02 N ATOM 1170 CA GLY A 74 7.709 8.064 -7.125 1.00 0.02 C ATOM 1171 C GLY A 74 7.335 9.526 -7.369 1.00 0.01 C ATOM 1172 O GLY A 74 7.462 10.032 -8.465 1.00 0.01 O ATOM 0 H GLY A 74 8.119 6.762 -8.761 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.194 7.690 -6.240 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.778 7.980 -6.931 1.00 0.02 H new ATOM 1176 N LEU A 75 6.916 10.225 -6.346 1.00 0.02 N ATOM 1177 CA LEU A 75 6.590 11.668 -6.523 1.00 0.02 C ATOM 1178 C LEU A 75 7.908 12.455 -6.501 1.00 0.01 C ATOM 1179 O LEU A 75 8.052 13.469 -7.154 1.00 0.02 O ATOM 1180 CB LEU A 75 5.670 12.140 -5.393 1.00 0.55 C ATOM 1181 CG LEU A 75 4.560 11.111 -5.169 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.640 11.594 -4.046 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.748 10.943 -6.459 1.00 0.42 C ATOM 0 H LEU A 75 6.787 9.860 -5.402 1.00 0.02 H new ATOM 0 HA LEU A 75 6.072 11.828 -7.469 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.244 12.276 -4.476 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.237 13.108 -5.644 1.00 0.55 H new ATOM 0 HG LEU A 75 5.002 10.154 -4.893 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.848 10.863 -3.884 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.217 11.713 -3.129 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.199 12.551 -4.324 1.00 0.98 H new ATOM 0 HD21 LEU A 75 2.958 10.210 -6.299 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.305 11.899 -6.737 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.404 10.600 -7.260 1.00 0.42 H new ATOM 1195 N ASN A 76 8.882 11.969 -5.772 1.00 0.01 N ATOM 1196 CA ASN A 76 10.213 12.625 -5.700 1.00 0.02 C ATOM 1197 C ASN A 76 11.208 11.540 -5.276 1.00 0.02 C ATOM 1198 O ASN A 76 10.865 10.376 -5.231 1.00 0.02 O ATOM 1199 CB ASN A 76 10.186 13.760 -4.671 1.00 0.02 C ATOM 1200 CG ASN A 76 9.449 14.966 -5.258 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.983 15.674 -6.086 1.00 0.01 O ATOM 1202 ND2 ASN A 76 8.233 15.228 -4.859 1.00 0.02 N ATOM 0 H ASN A 76 8.802 11.121 -5.211 1.00 0.01 H new ATOM 0 HA ASN A 76 10.494 13.061 -6.659 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.690 13.426 -3.759 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.203 14.040 -4.397 1.00 0.02 H new ATOM 0 HD21 ASN A 76 7.731 16.029 -5.244 1.00 0.02 H new ATOM 0 HD22 ASN A 76 7.785 14.632 -4.163 1.00 0.02 H new ATOM 1209 N ASP A 77 12.437 11.886 -4.981 1.00 0.01 N ATOM 1210 CA ASP A 77 13.434 10.838 -4.585 1.00 0.01 C ATOM 1211 C ASP A 77 13.564 10.758 -3.060 1.00 0.01 C ATOM 1212 O ASP A 77 14.610 10.408 -2.547 1.00 0.01 O ATOM 1213 CB ASP A 77 14.797 11.201 -5.178 1.00 0.01 C ATOM 1214 CG ASP A 77 14.722 11.139 -6.705 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.011 10.284 -7.211 1.00 0.01 O ATOM 1216 OD2 ASP A 77 15.377 11.947 -7.343 1.00 0.02 O ATOM 0 H ASP A 77 12.793 12.842 -4.996 1.00 0.01 H new ATOM 0 HA ASP A 77 13.094 9.873 -4.960 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.090 12.201 -4.858 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.559 10.513 -4.812 1.00 0.01 H new ATOM 1221 N ARG A 78 12.533 11.097 -2.321 1.00 0.01 N ATOM 1222 CA ARG A 78 12.637 11.057 -0.827 1.00 0.01 C ATOM 1223 C ARG A 78 12.070 9.746 -0.269 1.00 0.02 C ATOM 1224 O ARG A 78 10.917 9.420 -0.468 1.00 0.02 O ATOM 1225 CB ARG A 78 11.875 12.244 -0.237 1.00 0.43 C ATOM 1226 CG ARG A 78 12.578 13.548 -0.621 1.00 0.80 C ATOM 1227 CD ARG A 78 11.764 14.738 -0.110 1.00 1.00 C ATOM 1228 NE ARG A 78 10.455 14.787 -0.818 1.00 1.30 N ATOM 1229 CZ ARG A 78 9.486 15.524 -0.348 1.00 2.30 C ATOM 1230 NH1 ARG A 78 9.664 16.219 0.741 1.00 2.72 N ATOM 1231 NH2 ARG A 78 8.338 15.565 -0.966 1.00 3.20 N ATOM 0 H ARG A 78 11.629 11.398 -2.686 1.00 0.01 H new ATOM 0 HA ARG A 78 13.689 11.115 -0.549 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.849 12.250 -0.606 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.823 12.153 0.848 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.581 13.571 -0.196 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.689 13.608 -1.704 1.00 0.80 H new ATOM 0 HD2 ARG A 78 11.605 14.648 0.965 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.313 15.665 -0.275 1.00 1.00 H new ATOM 0 HE ARG A 78 10.316 14.244 -1.670 1.00 1.30 H new ATOM 0 HH11 ARG A 78 10.561 16.187 1.226 1.00 2.72 H new ATOM 0 HH12 ARG A 78 8.906 16.795 1.108 1.00 2.72 H new ATOM 0 HH21 ARG A 78 8.197 15.021 -1.817 1.00 3.20 H new ATOM 0 HH22 ARG A 78 7.581 16.141 -0.598 1.00 3.20 H new ATOM 1245 N LEU A 79 12.874 9.009 0.458 1.00 0.01 N ATOM 1246 CA LEU A 79 12.412 7.728 1.078 1.00 0.01 C ATOM 1247 C LEU A 79 13.048 7.635 2.468 1.00 0.01 C ATOM 1248 O LEU A 79 14.256 7.641 2.598 1.00 0.02 O ATOM 1249 CB LEU A 79 12.883 6.546 0.227 1.00 1.04 C ATOM 1250 CG LEU A 79 12.123 6.524 -1.108 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.696 5.411 -1.991 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.618 6.275 -0.865 1.00 2.61 C ATOM 0 H LEU A 79 13.847 9.245 0.651 1.00 0.01 H new ATOM 0 HA LEU A 79 11.324 7.704 1.144 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.955 6.623 0.044 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.718 5.612 0.764 1.00 1.04 H new ATOM 0 HG LEU A 79 12.239 7.487 -1.604 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.162 5.389 -2.941 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.754 5.600 -2.174 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.581 4.451 -1.487 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.093 6.262 -1.820 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.484 5.316 -0.364 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.214 7.071 -0.239 1.00 2.61 H new ATOM 1264 N GLY A 80 12.255 7.596 3.515 1.00 0.02 N ATOM 1265 CA GLY A 80 12.825 7.558 4.903 1.00 0.02 C ATOM 1266 C GLY A 80 12.643 6.191 5.574 1.00 0.02 C ATOM 1267 O GLY A 80 13.315 5.892 6.540 1.00 0.01 O ATOM 0 H GLY A 80 11.236 7.589 3.468 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.887 7.801 4.863 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.345 8.325 5.511 1.00 0.02 H new ATOM 1271 N SER A 81 11.754 5.353 5.101 1.00 0.01 N ATOM 1272 CA SER A 81 11.575 4.024 5.765 1.00 0.01 C ATOM 1273 C SER A 81 10.980 3.017 4.785 1.00 0.02 C ATOM 1274 O SER A 81 10.325 3.372 3.825 1.00 0.01 O ATOM 1275 CB SER A 81 10.637 4.176 6.961 1.00 0.01 C ATOM 1276 OG SER A 81 9.440 4.817 6.542 1.00 0.01 O ATOM 0 H SER A 81 11.152 5.527 4.296 1.00 0.01 H new ATOM 0 HA SER A 81 12.548 3.663 6.098 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.410 3.198 7.386 1.00 0.01 H new ATOM 0 HB3 SER A 81 11.120 4.760 7.745 1.00 0.01 H new ATOM 0 HG SER A 81 9.526 5.785 6.669 1.00 0.01 H new ATOM 1282 N CYS A 82 11.208 1.751 5.034 1.00 0.02 N ATOM 1283 CA CYS A 82 10.662 0.690 4.133 1.00 0.01 C ATOM 1284 C CYS A 82 10.279 -0.546 4.954 1.00 0.01 C ATOM 1285 O CYS A 82 10.891 -0.850 5.958 1.00 0.01 O ATOM 1286 CB CYS A 82 11.720 0.304 3.097 1.00 0.01 C ATOM 1287 SG CYS A 82 12.474 1.803 2.421 1.00 0.02 S ATOM 0 H CYS A 82 11.751 1.406 5.826 1.00 0.02 H new ATOM 0 HA CYS A 82 9.776 1.073 3.626 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.483 -0.324 3.557 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.265 -0.280 2.297 1.00 0.01 H new ATOM 0 HG CYS A 82 13.375 1.477 1.542 1.00 0.02 H new ATOM 1293 N ARG A 83 9.270 -1.263 4.525 1.00 0.01 N ATOM 1294 CA ARG A 83 8.836 -2.492 5.267 1.00 0.01 C ATOM 1295 C ARG A 83 8.539 -3.608 4.266 1.00 0.01 C ATOM 1296 O ARG A 83 8.002 -3.380 3.200 1.00 0.01 O ATOM 1297 CB ARG A 83 7.547 -2.199 6.041 1.00 0.01 C ATOM 1298 CG ARG A 83 7.839 -1.215 7.175 1.00 0.01 C ATOM 1299 CD ARG A 83 6.521 -0.665 7.726 1.00 0.01 C ATOM 1300 NE ARG A 83 5.539 -1.777 7.866 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.465 -1.611 8.588 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.254 -0.475 9.194 1.00 0.01 N ATOM 1303 NH2 ARG A 83 3.603 -2.584 8.707 1.00 0.01 N ATOM 0 H ARG A 83 8.725 -1.051 3.690 1.00 0.01 H new ATOM 0 HA ARG A 83 9.630 -2.790 5.952 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.795 -1.783 5.370 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.136 -3.124 6.446 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.397 -1.713 7.968 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.462 -0.398 6.811 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.689 -0.190 8.692 1.00 0.01 H new ATOM 0 HD3 ARG A 83 6.127 0.101 7.058 1.00 0.01 H new ATOM 0 HE ARG A 83 5.706 -2.668 7.398 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.929 0.284 9.104 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.414 -0.346 9.758 1.00 0.01 H new ATOM 0 HH21 ARG A 83 3.769 -3.473 8.236 1.00 0.01 H new ATOM 0 HH22 ARG A 83 2.763 -2.455 9.271 1.00 0.01 H new ATOM 1317 N ALA A 84 8.889 -4.823 4.600 1.00 0.01 N ATOM 1318 CA ALA A 84 8.634 -5.957 3.673 1.00 0.01 C ATOM 1319 C ALA A 84 7.166 -6.376 3.773 1.00 0.01 C ATOM 1320 O ALA A 84 6.629 -6.571 4.846 1.00 0.00 O ATOM 1321 CB ALA A 84 9.517 -7.146 4.060 1.00 0.43 C ATOM 0 H ALA A 84 9.342 -5.076 5.478 1.00 0.01 H new ATOM 0 HA ALA A 84 8.863 -5.645 2.654 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.328 -7.976 3.379 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.566 -6.856 3.997 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.286 -7.454 5.080 1.00 0.43 H new ATOM 1327 N VAL A 85 6.524 -6.537 2.649 1.00 0.01 N ATOM 1328 CA VAL A 85 5.101 -6.970 2.638 1.00 0.01 C ATOM 1329 C VAL A 85 5.054 -8.495 2.570 1.00 0.01 C ATOM 1330 O VAL A 85 5.614 -9.097 1.676 1.00 0.01 O ATOM 1331 CB VAL A 85 4.387 -6.383 1.417 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.881 -6.620 1.546 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.659 -4.878 1.338 1.00 1.12 C ATOM 0 H VAL A 85 6.932 -6.385 1.726 1.00 0.01 H new ATOM 0 HA VAL A 85 4.603 -6.619 3.542 1.00 0.01 H new ATOM 0 HB VAL A 85 4.758 -6.867 0.513 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.371 -6.203 0.678 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.685 -7.691 1.602 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.513 -6.136 2.450 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.150 -4.461 0.469 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.289 -4.393 2.242 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.732 -4.706 1.248 1.00 1.12 H new ATOM 1343 N HIS A 86 4.390 -9.134 3.494 1.00 0.01 N ATOM 1344 CA HIS A 86 4.311 -10.622 3.458 1.00 0.01 C ATOM 1345 C HIS A 86 3.076 -11.016 2.657 1.00 0.01 C ATOM 1346 O HIS A 86 1.999 -10.485 2.846 1.00 0.00 O ATOM 1347 CB HIS A 86 4.178 -11.161 4.883 1.00 0.21 C ATOM 1348 CG HIS A 86 5.373 -10.739 5.691 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.662 -10.788 5.186 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.492 -10.260 6.974 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.493 -10.352 6.150 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.832 -10.016 7.260 1.00 1.71 N ATOM 0 H HIS A 86 3.900 -8.691 4.271 1.00 0.01 H new ATOM 0 HA HIS A 86 5.210 -11.034 3.000 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.264 -10.785 5.342 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.102 -12.248 4.867 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.671 -10.098 7.656 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.565 -10.282 6.039 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.225 -9.658 8.131 1.00 1.71 H new ATOM 1360 N LEU A 87 3.231 -11.947 1.753 1.00 0.01 N ATOM 1361 CA LEU A 87 2.082 -12.397 0.915 1.00 0.01 C ATOM 1362 C LEU A 87 1.537 -13.705 1.486 1.00 0.01 C ATOM 1363 O LEU A 87 2.286 -14.588 1.857 1.00 0.01 O ATOM 1364 CB LEU A 87 2.570 -12.639 -0.526 1.00 0.67 C ATOM 1365 CG LEU A 87 3.628 -11.602 -0.907 1.00 1.25 C ATOM 1366 CD1 LEU A 87 4.049 -11.821 -2.362 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.046 -10.193 -0.752 1.00 1.34 C ATOM 0 H LEU A 87 4.114 -12.419 1.558 1.00 0.01 H new ATOM 0 HA LEU A 87 1.301 -11.636 0.915 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.986 -13.643 -0.613 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.729 -12.582 -1.217 1.00 0.67 H new ATOM 0 HG LEU A 87 4.494 -11.709 -0.254 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.803 -11.084 -2.637 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.463 -12.823 -2.474 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.181 -11.712 -3.012 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.801 -9.455 -1.024 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.180 -10.083 -1.405 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.742 -10.037 0.283 1.00 1.34 H new ATOM 1379 N SER A 88 0.237 -13.857 1.522 1.00 0.01 N ATOM 1380 CA SER A 88 -0.380 -15.124 2.023 1.00 0.01 C ATOM 1381 C SER A 88 -1.015 -15.843 0.836 1.00 0.01 C ATOM 1382 O SER A 88 -1.876 -15.288 0.181 1.00 0.01 O ATOM 1383 CB SER A 88 -1.452 -14.797 3.064 1.00 0.81 C ATOM 1384 OG SER A 88 -2.598 -14.269 2.409 1.00 1.08 O ATOM 0 H SER A 88 -0.432 -13.148 1.222 1.00 0.01 H new ATOM 0 HA SER A 88 0.376 -15.757 2.487 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.719 -15.695 3.622 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.067 -14.076 3.785 1.00 0.81 H new ATOM 0 HG SER A 88 -2.437 -14.237 1.443 1.00 1.08 H new ATOM 1390 N SER A 89 -0.655 -17.075 0.564 1.00 0.01 N ATOM 1391 CA SER A 89 -1.311 -17.814 -0.562 1.00 0.01 C ATOM 1392 C SER A 89 -2.082 -18.984 0.035 1.00 0.01 C ATOM 1393 O SER A 89 -1.566 -19.683 0.884 1.00 0.01 O ATOM 1394 CB SER A 89 -0.273 -18.371 -1.541 1.00 0.43 C ATOM 1395 OG SER A 89 0.562 -19.297 -0.861 1.00 1.26 O ATOM 0 H SER A 89 0.060 -17.598 1.069 1.00 0.01 H new ATOM 0 HA SER A 89 -1.964 -17.129 -1.103 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.771 -18.859 -2.379 1.00 0.43 H new ATOM 0 HB3 SER A 89 0.326 -17.560 -1.955 1.00 0.43 H new ATOM 0 HG SER A 89 0.058 -19.720 -0.135 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.314 -19.206 -0.334 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.047 -20.340 0.325 1.00 0.00 C ATOM 1403 C GLY A 90 -5.248 -20.854 -0.496 1.00 0.00 C ATOM 1404 O GLY A 90 -5.391 -22.046 -0.680 1.00 0.01 O ATOM 0 H GLY A 90 -3.834 -18.678 -1.035 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.352 -21.163 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.398 -20.015 1.304 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.118 -20.002 -0.995 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.263 -20.533 -1.783 1.00 0.00 C ATOM 1410 C GLY A 91 -7.961 -19.411 -2.558 1.00 0.00 C ATOM 1411 O GLY A 91 -7.467 -18.965 -3.575 1.00 0.01 O ATOM 0 H GLY A 91 -6.082 -18.988 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.909 -21.295 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.976 -21.017 -1.115 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.103 -18.953 -2.100 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.836 -17.859 -2.825 1.00 2.31 C ATOM 1417 C GLN A 92 -9.983 -16.630 -1.919 1.00 1.91 C ATOM 1418 O GLN A 92 -10.572 -16.683 -0.859 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.209 -18.386 -3.251 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.867 -17.387 -4.204 1.00 2.86 C ATOM 1421 CD GLN A 92 -11.152 -17.425 -5.557 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -10.468 -16.385 -5.948 1.00 3.99 O flip ATOM 1423 NE2 GLN A 92 -11.215 -18.411 -6.265 1.00 4.43 N flip ATOM 0 H GLN A 92 -9.562 -19.289 -1.253 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.274 -17.558 -3.709 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.103 -19.355 -3.739 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.839 -18.538 -2.375 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.922 -17.630 -4.331 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.820 -16.382 -3.784 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -11.749 -19.224 -5.960 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -10.733 -18.425 -7.164 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.408 -15.529 -2.334 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.461 -14.289 -1.503 1.00 0.01 C ATOM 1434 C ALA A 93 -10.913 -13.793 -1.414 1.00 0.01 C ATOM 1435 O ALA A 93 -11.634 -13.808 -2.391 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.587 -13.213 -2.154 1.00 2.99 C ATOM 0 H ALA A 93 -8.903 -15.436 -3.215 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.093 -14.501 -0.499 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.621 -12.304 -1.553 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.559 -13.569 -2.217 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.959 -12.999 -3.156 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.368 -13.399 -0.232 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.812 -12.953 -0.084 1.00 0.01 C ATOM 1444 C LYS A 94 -12.961 -11.656 0.738 1.00 0.01 C ATOM 1445 O LYS A 94 -12.435 -11.518 1.860 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.616 -14.065 0.599 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.114 -13.828 0.386 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.915 -14.731 1.328 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.688 -16.199 0.957 1.00 5.23 C ATOM 1450 NZ LYS A 94 -16.756 -17.037 1.572 1.00 6.36 N ATOM 0 H LYS A 94 -10.814 -13.366 0.624 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.187 -12.750 -1.087 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.331 -15.035 0.192 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.390 -14.087 1.665 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.357 -12.782 0.574 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.382 -14.037 -0.650 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.611 -14.556 2.360 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -16.976 -14.490 1.263 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -15.697 -16.317 -0.127 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -14.708 -16.526 1.305 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -16.603 -18.034 1.321 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -16.727 -16.932 2.606 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.685 -16.730 1.219 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.708 -10.705 0.183 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.955 -9.399 0.875 1.00 0.01 C ATOM 1466 C ILE A 95 -15.463 -9.054 0.849 1.00 0.01 C ATOM 1467 O ILE A 95 -16.145 -9.246 -0.143 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.154 -8.302 0.147 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.702 -6.908 0.504 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.263 -8.516 -1.366 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.648 -5.840 0.195 1.00 1.09 C ATOM 0 H ILE A 95 -14.156 -10.791 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.638 -9.468 1.915 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.111 -8.361 0.459 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.611 -6.709 -0.063 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.970 -6.872 1.560 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.698 -7.742 -1.885 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.860 -9.495 -1.625 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.309 -8.464 -1.666 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.042 -4.856 0.450 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.750 -6.035 0.781 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.401 -5.869 -0.866 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.956 -8.479 1.928 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.394 -8.029 1.993 1.00 0.01 C ATOM 1485 C GLN A 96 -17.400 -6.536 2.364 1.00 0.01 C ATOM 1486 O GLN A 96 -16.624 -6.119 3.196 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.176 -8.856 3.031 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.264 -9.271 4.176 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.091 -9.992 5.244 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -17.701 -11.035 5.729 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -19.227 -9.480 5.632 1.00 2.05 N ATOM 0 H GLN A 96 -15.418 -8.300 2.776 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.882 -8.178 1.030 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.011 -8.271 3.417 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.599 -9.741 2.556 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.474 -9.925 3.808 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.778 -8.395 4.605 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -19.557 -8.604 5.226 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -19.785 -9.956 6.341 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.248 -5.721 1.767 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.262 -4.248 2.102 1.00 0.01 C ATOM 1502 C VAL A 97 -19.663 -3.801 2.565 1.00 0.01 C ATOM 1503 O VAL A 97 -20.672 -4.324 2.127 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.862 -3.466 0.849 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.460 -3.899 0.406 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.860 -3.759 -0.273 1.00 1.03 C ATOM 0 H VAL A 97 -18.929 -6.009 1.065 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.561 -4.057 2.915 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.863 -2.399 1.070 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.173 -3.343 -0.487 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.747 -3.696 1.205 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.462 -4.966 0.184 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.577 -3.203 -1.166 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.856 -4.826 -0.494 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.859 -3.457 0.041 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.717 -2.847 3.481 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.033 -2.361 4.029 1.00 0.01 C ATOM 1518 C PHE A 98 -21.221 -0.849 3.789 1.00 0.01 C ATOM 1519 O PHE A 98 -20.294 -0.052 3.895 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.070 -2.628 5.534 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.133 -4.115 5.798 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.009 -4.912 5.557 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.307 -4.693 6.293 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.059 -6.288 5.810 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.358 -6.069 6.547 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.233 -6.867 6.307 1.00 0.69 C ATOM 0 H PHE A 98 -18.897 -2.383 3.873 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.835 -2.893 3.517 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.185 -2.204 6.008 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.936 -2.135 5.977 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.102 -4.466 5.176 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.175 -4.077 6.479 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.192 -6.903 5.622 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.265 -6.515 6.928 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.271 -7.928 6.505 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.436 -0.469 3.461 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.753 0.968 3.180 1.00 0.01 C ATOM 1538 C GLU A 99 -22.681 1.842 4.444 1.00 0.01 C ATOM 1539 O GLU A 99 -22.317 2.999 4.363 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.166 1.053 2.588 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.465 2.479 2.098 1.00 0.01 C ATOM 1542 CD GLU A 99 -23.762 2.732 0.765 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -22.555 2.902 0.776 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -24.445 2.754 -0.247 1.00 0.02 O ATOM 0 H GLU A 99 -23.230 -1.103 3.375 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.008 1.345 2.479 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.261 0.351 1.760 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.899 0.760 3.340 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -25.540 2.615 1.983 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -24.130 3.205 2.839 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.026 1.322 5.606 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.978 2.161 6.857 1.00 0.01 C ATOM 1553 C LYS A 100 -21.896 1.619 7.798 1.00 0.01 C ATOM 1554 O LYS A 100 -21.402 0.524 7.634 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.354 2.133 7.562 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.232 3.293 7.070 1.00 1.63 C ATOM 1557 CD LYS A 100 -25.364 3.235 5.544 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.563 4.075 5.098 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.824 3.392 5.502 1.00 3.18 N ATOM 0 H LYS A 100 -23.337 0.360 5.742 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.739 3.191 6.591 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.851 1.183 7.365 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.218 2.204 8.641 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -26.218 3.236 7.532 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -24.794 4.245 7.370 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -24.453 3.607 5.076 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -25.490 2.202 5.219 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -26.514 5.067 5.548 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -26.542 4.214 4.017 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.594 3.679 4.864 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -27.694 2.362 5.446 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -28.066 3.658 6.478 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.530 2.401 8.779 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.468 1.982 9.739 1.00 0.01 C ATOM 1575 C GLY A 101 -20.928 0.803 10.594 1.00 0.00 C ATOM 1576 O GLY A 101 -22.100 0.500 10.698 1.00 0.01 O ATOM 0 H GLY A 101 -21.927 3.323 8.958 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.567 1.707 9.191 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.205 2.821 10.383 1.00 0.01 H new ATOM 1580 N ASP A 102 -19.984 0.147 11.219 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.300 -1.010 12.101 1.00 0.00 C ATOM 1582 C ASP A 102 -21.055 -2.096 11.334 1.00 0.00 C ATOM 1583 O ASP A 102 -21.955 -2.731 11.849 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.146 -0.530 13.284 1.00 0.01 C ATOM 1585 CG ASP A 102 -21.229 -1.636 14.335 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.204 -2.233 14.621 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -22.316 -1.868 14.837 1.00 0.01 O ATOM 0 H ASP A 102 -18.991 0.371 11.152 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.364 -1.437 12.462 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -20.706 0.367 13.719 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -22.146 -0.261 12.944 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.661 -2.334 10.111 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.304 -3.402 9.297 1.00 0.01 C ATOM 1594 C PHE A 103 -22.822 -3.233 9.273 1.00 0.00 C ATOM 1595 O PHE A 103 -23.557 -4.145 9.595 1.00 0.01 O ATOM 1596 CB PHE A 103 -20.952 -4.766 9.897 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.491 -4.781 10.282 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.509 -4.893 9.291 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.118 -4.683 11.628 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.155 -4.906 9.644 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.765 -4.697 11.982 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.781 -4.808 10.990 1.00 0.01 C ATOM 0 H PHE A 103 -19.913 -1.827 9.638 1.00 0.01 H new ATOM 0 HA PHE A 103 -20.936 -3.332 8.273 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.572 -4.962 10.772 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.158 -5.557 9.176 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.797 -4.969 8.253 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.875 -4.597 12.393 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.398 -4.992 8.878 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.478 -4.622 13.021 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.736 -4.818 11.263 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.299 -2.078 8.874 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.774 -1.844 8.798 1.00 0.01 C ATOM 1614 C ASN A 104 -25.105 -1.334 7.397 1.00 0.01 C ATOM 1615 O ASN A 104 -24.228 -0.948 6.648 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.188 -0.792 9.830 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.683 -0.499 9.689 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -27.068 0.453 9.039 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -27.548 -1.284 10.272 1.00 2.38 N ATOM 0 H ASN A 104 -22.724 -1.282 8.596 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.309 -2.771 9.004 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.970 -1.149 10.836 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.612 0.122 9.684 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -28.547 -1.098 10.182 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -27.225 -2.083 10.818 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.356 -1.335 7.022 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.724 -0.850 5.658 1.00 0.01 C ATOM 1628 C GLY A 105 -26.707 -2.027 4.687 1.00 0.01 C ATOM 1629 O GLY A 105 -26.720 -3.172 5.094 1.00 0.01 O ATOM 0 H GLY A 105 -27.137 -1.649 7.598 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.713 -0.392 5.676 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.023 -0.082 5.330 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.667 -1.770 3.409 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.634 -2.892 2.433 1.00 0.01 C ATOM 1635 C GLN A 106 -25.232 -3.505 2.432 1.00 0.01 C ATOM 1636 O GLN A 106 -24.233 -2.815 2.553 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.964 -2.360 1.036 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.133 -3.531 0.066 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.709 -3.021 -1.256 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.438 -3.819 -1.988 1.00 0.01 O flip ATOM 1641 NE2 GLN A 106 -27.495 -1.886 -1.628 1.00 0.01 N flip ATOM 0 H GLN A 106 -26.656 -0.835 3.001 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.367 -3.649 2.711 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.878 -1.767 1.068 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.168 -1.700 0.690 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.172 -4.015 -0.107 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.795 -4.282 0.498 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -26.926 -1.261 -1.057 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -27.885 -1.557 -2.511 1.00 0.01 H new ATOM 1650 N MET A 107 -25.166 -4.807 2.308 1.00 0.01 N ATOM 1651 CA MET A 107 -23.850 -5.522 2.302 1.00 0.01 C ATOM 1652 C MET A 107 -23.646 -6.200 0.948 1.00 0.01 C ATOM 1653 O MET A 107 -24.567 -6.721 0.353 1.00 0.01 O ATOM 1654 CB MET A 107 -23.848 -6.588 3.408 1.00 0.00 C ATOM 1655 CG MET A 107 -22.621 -7.503 3.269 1.00 0.01 C ATOM 1656 SD MET A 107 -22.986 -8.833 2.094 1.00 0.01 S ATOM 1657 CE MET A 107 -23.667 -10.006 3.292 1.00 0.01 C ATOM 0 H MET A 107 -25.979 -5.414 2.209 1.00 0.01 H new ATOM 0 HA MET A 107 -23.045 -4.808 2.477 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.841 -6.106 4.386 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.760 -7.182 3.351 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.762 -6.927 2.926 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.356 -7.923 4.239 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.965 -10.920 2.778 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.911 -10.241 4.041 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.536 -9.565 3.780 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.427 -6.211 0.476 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.104 -6.868 -0.827 1.00 0.00 C ATOM 1669 C TYR A 108 -20.871 -7.756 -0.627 1.00 0.01 C ATOM 1670 O TYR A 108 -19.917 -7.380 0.025 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.802 -5.800 -1.882 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.093 -5.172 -2.350 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.889 -5.830 -3.295 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.496 -3.933 -1.836 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.086 -5.247 -3.731 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.693 -3.351 -2.270 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.489 -4.009 -3.217 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.670 -3.437 -3.645 1.00 2.48 O ATOM 0 H TYR A 108 -21.628 -5.786 0.946 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.949 -7.468 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.145 -5.037 -1.464 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.276 -6.246 -2.726 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.580 -6.787 -3.688 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.883 -3.427 -1.105 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.698 -5.753 -4.464 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.003 -2.395 -1.875 1.00 1.51 H new ATOM 0 HH TYR A 108 -27.420 -4.025 -3.417 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.910 -8.952 -1.165 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.774 -9.919 -1.001 1.00 0.01 C ATOM 1690 C GLU A 109 -19.160 -10.233 -2.363 1.00 0.01 C ATOM 1691 O GLU A 109 -19.862 -10.485 -3.322 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.328 -11.201 -0.374 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.171 -12.108 0.050 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.727 -13.436 0.569 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.013 -13.514 1.755 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.858 -14.352 -0.227 1.00 0.00 O ATOM 0 H GLU A 109 -21.691 -9.305 -1.718 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.002 -9.489 -0.363 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.947 -10.957 0.489 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.967 -11.720 -1.088 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.506 -12.286 -0.795 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.579 -11.622 0.825 1.00 0.01 H new ATOM 1703 N THR A 110 -17.847 -10.215 -2.467 1.00 0.01 N ATOM 1704 CA THR A 110 -17.211 -10.512 -3.787 1.00 0.00 C ATOM 1705 C THR A 110 -15.831 -11.164 -3.608 1.00 0.01 C ATOM 1706 O THR A 110 -15.107 -10.917 -2.651 1.00 0.01 O ATOM 1707 CB THR A 110 -17.061 -9.213 -4.598 1.00 1.21 C ATOM 1708 OG1 THR A 110 -15.910 -9.299 -5.426 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.915 -8.025 -3.647 1.00 1.69 C ATOM 0 H THR A 110 -17.201 -10.010 -1.705 1.00 0.01 H new ATOM 0 HA THR A 110 -17.855 -11.211 -4.321 1.00 0.00 H new ATOM 0 HB THR A 110 -17.946 -9.073 -5.218 1.00 1.21 H new ATOM 0 HG1 THR A 110 -15.816 -8.472 -5.943 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.809 -7.107 -4.225 1.00 1.69 H new ATOM 0 HG22 THR A 110 -17.799 -7.955 -3.014 1.00 1.69 H new ATOM 0 HG23 THR A 110 -16.032 -8.165 -3.023 1.00 1.69 H new ATOM 1717 N THR A 111 -15.483 -12.000 -4.556 1.00 0.00 N ATOM 1718 CA THR A 111 -14.171 -12.719 -4.538 1.00 0.01 C ATOM 1719 C THR A 111 -13.303 -12.273 -5.721 1.00 0.01 C ATOM 1720 O THR A 111 -12.274 -12.860 -5.992 1.00 0.01 O ATOM 1721 CB THR A 111 -14.425 -14.226 -4.642 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.350 -14.477 -5.690 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.994 -14.742 -3.319 1.00 0.01 C ATOM 0 H THR A 111 -16.069 -12.219 -5.362 1.00 0.00 H new ATOM 0 HA THR A 111 -13.651 -12.487 -3.609 1.00 0.01 H new ATOM 0 HB THR A 111 -13.487 -14.740 -4.855 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.512 -15.441 -5.759 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.174 -15.814 -3.394 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.282 -14.549 -2.517 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.932 -14.231 -3.102 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.730 -11.265 -6.451 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.953 -10.802 -7.655 1.00 0.01 C ATOM 1733 C GLU A 112 -12.555 -9.329 -7.526 1.00 0.01 C ATOM 1734 O GLU A 112 -13.106 -8.593 -6.732 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.822 -10.971 -8.903 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.267 -12.429 -9.021 1.00 1.61 C ATOM 1737 CD GLU A 112 -13.052 -13.311 -9.312 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -12.316 -12.987 -10.230 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -12.877 -14.296 -8.611 1.00 3.07 O ATOM 0 H GLU A 112 -14.585 -10.741 -6.266 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.046 -11.401 -7.730 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.692 -10.318 -8.844 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.263 -10.677 -9.791 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -14.749 -12.749 -8.097 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -15.004 -12.532 -9.818 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.609 -8.890 -8.318 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.176 -7.463 -8.271 1.00 0.01 C ATOM 1748 C ASP A 113 -12.297 -6.568 -8.818 1.00 0.00 C ATOM 1749 O ASP A 113 -13.104 -6.991 -9.623 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.926 -7.295 -9.144 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.063 -8.153 -10.403 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.183 -8.343 -10.848 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.046 -8.607 -10.900 1.00 0.00 O ATOM 0 H ASP A 113 -11.115 -9.465 -9.000 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.955 -7.179 -7.242 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.798 -6.248 -9.417 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.037 -7.589 -8.586 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.323 -5.321 -8.404 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.357 -4.361 -8.911 1.00 0.01 C ATOM 1760 C CYS A 114 -12.649 -3.101 -9.462 1.00 0.01 C ATOM 1761 O CYS A 114 -12.053 -2.369 -8.696 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.259 -3.943 -7.750 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.393 -2.645 -8.307 1.00 0.01 S ATOM 0 H CYS A 114 -11.667 -4.925 -7.731 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.947 -4.835 -9.696 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.823 -4.802 -7.385 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.655 -3.581 -6.918 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.322 -3.170 -9.050 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.713 -2.809 -10.756 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.050 -1.580 -11.282 1.00 0.01 C ATOM 1771 C PRO A 115 -12.850 -0.322 -10.925 1.00 0.01 C ATOM 1772 O PRO A 115 -12.288 0.735 -10.703 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.041 -1.833 -12.798 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.079 -2.930 -13.096 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.414 -3.649 -11.772 1.00 0.01 C ATOM 0 HA PRO A 115 -11.057 -1.407 -10.867 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.284 -0.919 -13.340 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.050 -2.145 -13.128 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.979 -2.494 -13.530 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.685 -3.639 -13.824 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.489 -3.688 -11.593 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.052 -4.677 -11.767 1.00 0.01 H new ATOM 1783 N SER A 116 -14.156 -0.424 -10.877 1.00 0.01 N ATOM 1784 CA SER A 116 -14.999 0.763 -10.538 1.00 0.02 C ATOM 1785 C SER A 116 -16.158 0.303 -9.647 1.00 0.01 C ATOM 1786 O SER A 116 -17.076 -0.366 -10.084 1.00 0.00 O ATOM 1787 CB SER A 116 -15.545 1.381 -11.826 1.00 0.01 C ATOM 1788 OG SER A 116 -15.960 0.343 -12.706 1.00 0.01 O ATOM 0 H SER A 116 -14.676 -1.283 -11.059 1.00 0.01 H new ATOM 0 HA SER A 116 -14.405 1.509 -10.011 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.384 2.039 -11.600 1.00 0.01 H new ATOM 0 HB3 SER A 116 -14.779 1.993 -12.302 1.00 0.01 H new ATOM 0 HG SER A 116 -15.573 0.492 -13.594 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.091 0.636 -8.388 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.145 0.204 -7.427 1.00 0.01 C ATOM 1796 C ILE A 117 -18.495 0.833 -7.767 1.00 0.01 C ATOM 1797 O ILE A 117 -19.520 0.194 -7.645 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.728 0.625 -6.018 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.415 -0.072 -5.656 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.813 0.220 -5.020 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.795 0.606 -4.437 1.00 1.83 C ATOM 0 H ILE A 117 -15.342 1.195 -7.979 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.252 -0.879 -7.487 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.593 1.706 -5.983 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.597 -1.126 -5.445 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.725 -0.030 -6.499 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.514 0.521 -4.016 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.750 0.711 -5.282 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -17.949 -0.861 -5.049 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.860 0.108 -4.180 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.598 1.654 -4.664 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.484 0.541 -3.595 1.00 1.83 H new ATOM 1813 N MET A 118 -18.517 2.075 -8.165 1.00 0.02 N ATOM 1814 CA MET A 118 -19.825 2.711 -8.469 1.00 0.01 C ATOM 1815 C MET A 118 -20.447 2.049 -9.695 1.00 0.01 C ATOM 1816 O MET A 118 -21.640 1.853 -9.758 1.00 0.02 O ATOM 1817 CB MET A 118 -19.643 4.210 -8.723 1.00 0.24 C ATOM 1818 CG MET A 118 -21.008 4.899 -8.726 1.00 0.63 C ATOM 1819 SD MET A 118 -20.820 6.600 -9.321 1.00 1.20 S ATOM 1820 CE MET A 118 -22.504 6.812 -9.947 1.00 1.34 C ATOM 0 H MET A 118 -17.697 2.668 -8.291 1.00 0.02 H new ATOM 0 HA MET A 118 -20.487 2.580 -7.613 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.006 4.645 -7.953 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.142 4.369 -9.678 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.702 4.353 -9.365 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.431 4.898 -7.721 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.613 7.812 -10.368 1.00 1.34 H new ATOM 0 HE2 MET A 118 -22.701 6.070 -10.720 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.215 6.683 -9.131 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.667 1.691 -10.668 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.258 1.046 -11.866 1.00 0.02 C ATOM 1832 C GLU A 119 -20.758 -0.354 -11.504 1.00 0.02 C ATOM 1833 O GLU A 119 -21.765 -0.813 -12.005 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.194 0.940 -12.959 1.00 0.30 C ATOM 1835 CG GLU A 119 -18.835 2.338 -13.466 1.00 0.99 C ATOM 1836 CD GLU A 119 -17.845 2.221 -14.626 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -18.255 1.775 -15.684 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -16.695 2.577 -14.436 1.00 2.07 O ATOM 0 H GLU A 119 -18.655 1.815 -10.688 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.095 1.645 -12.225 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.305 0.445 -12.568 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -19.564 0.328 -13.782 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -19.734 2.860 -13.793 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -18.399 2.928 -12.660 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.030 -1.058 -10.677 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.427 -2.455 -10.332 1.00 0.01 C ATOM 1847 C GLN A 120 -21.530 -2.502 -9.269 1.00 0.01 C ATOM 1848 O GLN A 120 -22.469 -3.264 -9.381 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.202 -3.206 -9.806 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.570 -4.666 -9.550 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.295 -5.488 -9.349 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.265 -5.177 -9.912 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -18.323 -6.533 -8.567 1.00 2.08 N ATOM 0 H GLN A 120 -19.178 -0.726 -10.226 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.817 -2.920 -11.237 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.388 -3.146 -10.528 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.846 -2.743 -8.886 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.207 -4.742 -8.669 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.141 -5.061 -10.391 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.189 -6.793 -8.095 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.479 -7.089 -8.428 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.381 -1.753 -8.203 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.376 -1.817 -7.081 1.00 0.01 C ATOM 1864 C PHE A 121 -23.210 -0.542 -6.954 1.00 0.01 C ATOM 1865 O PHE A 121 -24.066 -0.444 -6.098 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.615 -2.041 -5.778 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.942 -3.393 -5.814 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.664 -4.543 -5.472 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.598 -3.496 -6.192 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -21.039 -5.797 -5.506 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.975 -4.749 -6.226 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.696 -5.899 -5.884 1.00 0.01 C ATOM 0 H PHE A 121 -20.612 -1.098 -8.059 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.066 -2.634 -7.293 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -20.871 -1.256 -5.639 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.299 -1.986 -4.931 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.701 -4.464 -5.182 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.042 -2.609 -6.457 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.594 -6.684 -5.240 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.938 -4.828 -6.516 1.00 0.01 H new ATOM 0 HZ PHE A 121 -19.215 -6.866 -5.912 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.977 0.442 -7.775 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.770 1.697 -7.663 1.00 0.01 C ATOM 1884 C HIS A 122 -23.564 2.310 -6.274 1.00 0.01 C ATOM 1885 O HIS A 122 -24.456 2.924 -5.720 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.253 1.382 -7.892 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.383 0.353 -8.980 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.612 -0.988 -8.707 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.320 0.450 -10.349 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.680 -1.636 -9.884 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.509 -0.807 -10.918 1.00 0.01 N ATOM 0 H HIS A 122 -22.275 0.433 -8.515 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.439 2.413 -8.416 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.704 1.012 -6.971 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.790 2.289 -8.168 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.150 1.363 -10.900 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.852 -2.698 -9.981 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.515 -1.044 -11.910 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.386 2.152 -5.711 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.101 2.727 -4.351 1.00 0.01 C ATOM 1901 C LEU A 123 -21.086 3.860 -4.498 1.00 0.02 C ATOM 1902 O LEU A 123 -20.105 3.739 -5.204 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.493 1.647 -3.442 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.510 0.526 -3.159 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -21.774 -0.737 -2.689 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.467 0.957 -2.044 1.00 0.01 C ATOM 0 H LEU A 123 -21.607 1.648 -6.135 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.030 3.094 -3.914 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -20.605 1.227 -3.915 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -21.171 2.096 -2.503 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.065 0.325 -4.075 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -22.498 -1.527 -2.490 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.083 -1.065 -3.465 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.218 -0.516 -1.778 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -24.183 0.158 -1.850 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.899 1.163 -1.137 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -24.001 1.857 -2.350 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.320 4.972 -3.841 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.375 6.124 -3.950 1.00 0.00 C ATOM 1920 C ARG A 124 -19.343 6.087 -2.817 1.00 0.01 C ATOM 1921 O ARG A 124 -18.270 6.647 -2.924 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.160 7.435 -3.869 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.095 7.544 -5.075 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.740 8.930 -5.096 1.00 2.92 C ATOM 1925 NE ARG A 124 -23.109 9.324 -3.708 1.00 3.54 N ATOM 1926 CZ ARG A 124 -23.396 10.569 -3.438 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.361 11.469 -4.383 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -23.719 10.912 -2.221 1.00 5.32 N ATOM 0 H ARG A 124 -22.125 5.129 -3.235 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.854 6.056 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.736 7.470 -2.944 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.474 8.282 -3.849 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.538 7.376 -5.997 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.864 6.774 -5.023 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -22.050 9.658 -5.521 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.626 8.922 -5.731 1.00 2.92 H new ATOM 0 HE ARG A 124 -23.138 8.622 -2.969 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.109 11.200 -5.334 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -23.586 12.441 -4.170 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -23.747 10.208 -1.483 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -23.944 11.884 -2.008 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.671 5.448 -1.719 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.726 5.392 -0.560 1.00 0.01 C ATOM 1944 C GLU A 125 -18.910 4.070 0.197 1.00 0.01 C ATOM 1945 O GLU A 125 -19.921 3.407 0.067 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.029 6.544 0.399 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.872 7.876 -0.337 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.851 9.019 0.679 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.902 9.325 1.217 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.785 9.569 0.902 1.00 0.01 O ATOM 0 H GLU A 125 -20.556 4.961 -1.576 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.704 5.468 -0.932 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.042 6.449 0.789 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.354 6.507 1.254 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.951 7.876 -0.920 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.693 8.015 -1.040 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.949 3.700 1.008 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.063 2.438 1.812 1.00 0.01 C ATOM 1959 C ILE A 126 -17.657 2.767 3.253 1.00 0.01 C ATOM 1960 O ILE A 126 -16.654 3.419 3.473 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.131 1.377 1.217 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.758 0.861 -0.082 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.958 0.214 2.203 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.777 -0.051 -0.815 1.00 1.70 C ATOM 0 H ILE A 126 -17.083 4.221 1.150 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.081 2.048 1.795 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.152 1.813 1.019 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.676 0.316 0.140 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -18.032 1.701 -0.721 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.294 -0.534 1.770 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.528 0.586 3.133 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.929 -0.237 2.407 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.234 -0.411 -1.737 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.871 0.506 -1.053 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.525 -0.900 -0.179 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.456 2.388 4.234 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.124 2.770 5.654 1.00 0.01 C ATOM 1978 C HIS A 127 -17.607 1.600 6.497 1.00 0.01 C ATOM 1979 O HIS A 127 -17.034 1.809 7.549 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.363 3.368 6.326 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.664 4.717 5.731 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.094 5.144 4.542 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.475 5.742 6.147 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.567 6.379 4.286 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.412 6.791 5.233 1.00 0.02 N ATOM 0 H HIS A 127 -19.309 1.841 4.116 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.317 3.501 5.599 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.217 2.703 6.193 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.196 3.463 7.399 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -21.072 5.736 7.047 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.295 6.964 3.420 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.906 7.682 5.278 1.00 0.02 H new ATOM 1993 N SER A 128 -17.746 0.380 6.055 1.00 0.01 N ATOM 1994 CA SER A 128 -17.192 -0.754 6.862 1.00 0.01 C ATOM 1995 C SER A 128 -16.969 -1.943 5.932 1.00 0.01 C ATOM 1996 O SER A 128 -17.569 -2.040 4.883 1.00 0.01 O ATOM 1997 CB SER A 128 -18.166 -1.125 7.991 1.00 0.01 C ATOM 1998 OG SER A 128 -19.474 -0.739 7.615 1.00 0.01 O ATOM 0 H SER A 128 -18.210 0.118 5.186 1.00 0.01 H new ATOM 0 HA SER A 128 -16.246 -0.463 7.318 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.130 -2.198 8.182 1.00 0.01 H new ATOM 0 HB3 SER A 128 -17.877 -0.626 8.916 1.00 0.01 H new ATOM 0 HG SER A 128 -19.840 -0.125 8.286 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.094 -2.843 6.278 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.837 -3.987 5.372 1.00 0.01 C ATOM 2006 C CYS A 129 -15.147 -5.108 6.135 1.00 0.00 C ATOM 2007 O CYS A 129 -14.365 -4.874 7.037 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.938 -3.518 4.227 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.216 -4.939 3.369 1.00 1.22 S ATOM 0 H CYS A 129 -15.551 -2.835 7.142 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.782 -4.359 4.975 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.516 -2.917 3.525 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.145 -2.879 4.617 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.128 -5.848 3.191 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.430 -6.333 5.768 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.796 -7.495 6.455 1.00 0.01 C ATOM 2017 C LYS A 130 -14.009 -8.297 5.421 1.00 0.01 C ATOM 2018 O LYS A 130 -14.556 -8.977 4.580 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.901 -8.371 7.100 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.588 -8.621 8.585 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.749 -9.375 9.254 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.645 -10.876 8.962 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.689 -11.604 9.738 1.00 1.41 N ATOM 0 H LYS A 130 -16.077 -6.577 5.018 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.119 -7.157 7.240 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.868 -7.877 7.004 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.975 -9.322 6.572 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.668 -9.199 8.678 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.421 -7.672 9.094 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -16.730 -9.205 10.330 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -17.701 -8.991 8.887 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -16.774 -11.060 7.895 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -15.654 -11.242 9.231 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.620 -12.623 9.541 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.546 -11.437 10.754 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -18.631 -11.261 9.460 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.717 -8.222 5.509 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.829 -8.977 4.586 1.00 0.01 C ATOM 2039 C VAL A 131 -11.239 -10.097 5.408 1.00 0.01 C ATOM 2040 O VAL A 131 -10.513 -9.839 6.356 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.706 -8.055 4.085 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.984 -8.701 2.903 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.307 -6.718 3.650 1.00 0.01 C ATOM 0 H VAL A 131 -12.224 -7.655 6.199 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.371 -9.355 3.719 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.990 -7.892 4.890 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.190 -8.039 2.556 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.553 -9.652 3.216 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.693 -8.873 2.093 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.513 -6.061 3.294 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -12.026 -6.886 2.848 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.810 -6.253 4.497 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.458 -11.346 5.032 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.794 -12.440 5.806 1.00 0.01 C ATOM 2055 C VAL A 132 -10.467 -13.571 4.848 1.00 0.00 C ATOM 2056 O VAL A 132 -11.035 -14.640 4.932 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.746 -12.953 6.889 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.990 -13.891 7.832 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.297 -11.771 7.689 1.00 1.98 C ATOM 0 H VAL A 132 -12.046 -11.640 4.252 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.885 -12.067 6.277 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.569 -13.491 6.419 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.668 -14.256 8.603 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.596 -14.735 7.266 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.167 -13.351 8.299 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.975 -12.138 8.460 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.473 -11.232 8.157 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.837 -11.099 7.021 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.553 -13.362 3.959 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.169 -14.435 3.007 1.00 0.01 C ATOM 2071 C GLU A 133 -8.217 -13.798 1.996 1.00 0.01 C ATOM 2072 O GLU A 133 -8.645 -13.009 1.172 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.432 -15.028 2.320 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.644 -16.493 2.740 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.643 -17.385 2.003 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.497 -16.984 1.888 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -10.039 -18.455 1.567 1.00 0.00 O ATOM 0 H GLU A 133 -9.046 -12.484 3.846 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.678 -15.266 3.514 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.308 -14.438 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.325 -14.967 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.515 -16.596 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.663 -16.805 2.510 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.951 -14.115 2.049 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.991 -13.506 1.082 1.00 0.01 C ATOM 2086 C GLY A 134 -5.764 -12.029 1.437 1.00 0.01 C ATOM 2087 O GLY A 134 -6.245 -11.544 2.441 1.00 0.01 O ATOM 0 H GLY A 134 -6.541 -14.767 2.717 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -5.044 -14.045 1.107 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.380 -13.590 0.067 1.00 0.01 H new ATOM 2091 N THR A 135 -5.031 -11.312 0.614 1.00 0.01 N ATOM 2092 CA THR A 135 -4.761 -9.860 0.886 1.00 0.01 C ATOM 2093 C THR A 135 -5.481 -9.010 -0.168 1.00 0.01 C ATOM 2094 O THR A 135 -5.617 -9.411 -1.308 1.00 0.01 O ATOM 2095 CB THR A 135 -3.252 -9.609 0.804 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.564 -10.640 1.498 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.920 -8.257 1.437 1.00 2.30 C ATOM 0 H THR A 135 -4.606 -11.673 -0.240 1.00 0.01 H new ATOM 0 HA THR A 135 -5.123 -9.592 1.879 1.00 0.01 H new ATOM 0 HB THR A 135 -2.942 -9.603 -0.241 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.598 -10.482 1.445 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.846 -8.081 1.377 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.447 -7.466 0.904 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.230 -8.259 2.482 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.958 -7.847 0.213 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.697 -6.962 -0.753 1.00 0.01 C ATOM 2107 C TRP A 136 -6.159 -5.528 -0.696 1.00 0.01 C ATOM 2108 O TRP A 136 -5.804 -5.027 0.349 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.184 -6.950 -0.388 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.810 -8.256 -0.762 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.792 -9.374 0.000 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.549 -8.596 -1.970 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.477 -10.377 -0.660 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.961 -9.947 -1.880 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.901 -7.874 -3.125 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.696 -10.558 -2.896 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.639 -8.486 -4.151 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.035 -9.825 -4.035 1.00 0.01 C ATOM 0 H TRP A 136 -5.868 -7.469 1.156 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.556 -7.352 -1.761 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.304 -6.772 0.681 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.688 -6.134 -0.905 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.319 -9.467 0.967 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.609 -11.319 -0.291 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.601 -6.841 -3.223 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -11.000 -11.590 -2.802 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.903 -7.922 -5.034 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.603 -10.290 -4.827 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.134 -4.844 -1.814 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.668 -3.417 -1.838 1.00 0.00 C ATOM 2131 C ILE A 137 -6.847 -2.558 -2.297 1.00 0.01 C ATOM 2132 O ILE A 137 -7.579 -2.938 -3.183 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.522 -3.246 -2.845 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.406 -4.254 -2.542 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.956 -1.819 -2.744 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.186 -3.949 -3.420 1.00 1.69 C ATOM 0 H ILE A 137 -6.419 -5.215 -2.721 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.316 -3.125 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.904 -3.420 -3.851 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.131 -4.202 -1.489 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.757 -5.269 -2.730 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.142 -1.699 -3.459 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.743 -1.099 -2.966 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.580 -1.647 -1.735 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.394 -4.666 -3.204 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.466 -4.024 -4.471 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.830 -2.940 -3.210 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.001 -1.384 -1.725 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.106 -0.454 -2.152 1.00 0.01 C ATOM 2150 C PHE A 138 -7.453 0.787 -2.760 1.00 0.01 C ATOM 2151 O PHE A 138 -6.420 1.233 -2.301 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.029 -0.113 -0.940 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.742 1.240 -0.282 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.902 2.449 -0.989 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.348 1.281 1.063 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.658 3.673 -0.356 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.108 2.508 1.693 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.260 3.704 0.983 1.00 2.49 C ATOM 0 H PHE A 138 -6.407 -1.026 -0.977 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.749 -0.920 -2.899 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.066 -0.127 -1.275 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.926 -0.897 -0.189 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.214 2.431 -2.023 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.229 0.361 1.616 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.778 4.596 -0.904 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.805 2.531 2.729 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.070 4.650 1.469 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.055 1.352 -3.782 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.488 2.580 -4.428 1.00 0.01 C ATOM 2170 C TYR A 139 -8.534 3.695 -4.379 1.00 0.01 C ATOM 2171 O TYR A 139 -9.729 3.447 -4.443 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.132 2.283 -5.886 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.158 1.128 -5.955 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.595 -0.170 -5.675 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.821 1.354 -6.305 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -5.698 -1.243 -5.744 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -3.925 0.282 -6.374 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.363 -1.016 -6.092 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.478 -2.073 -6.159 1.00 0.00 O ATOM 0 H TYR A 139 -8.922 1.012 -4.199 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.588 2.889 -3.896 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.035 2.042 -6.448 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.694 3.167 -6.350 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.626 -0.345 -5.405 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.482 2.356 -6.522 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.037 -2.245 -5.529 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.894 0.457 -6.645 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.592 -1.742 -6.416 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.095 4.915 -4.208 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.049 6.055 -4.078 1.00 0.02 C ATOM 2191 C GLU A 140 -9.689 6.427 -5.422 1.00 0.01 C ATOM 2192 O GLU A 140 -10.804 6.908 -5.447 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.264 7.256 -3.553 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.224 8.421 -3.308 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.486 9.546 -2.579 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -8.324 9.440 -1.375 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -8.096 10.496 -3.236 1.00 0.01 O ATOM 0 H GLU A 140 -7.109 5.171 -4.153 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.853 5.766 -3.401 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.750 6.993 -2.628 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.498 7.546 -4.272 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.619 8.786 -4.256 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.075 8.086 -2.715 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.017 6.233 -6.539 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.628 6.606 -7.864 1.00 0.02 C ATOM 2206 C LEU A 141 -9.841 5.329 -8.705 1.00 0.01 C ATOM 2207 O LEU A 141 -9.136 4.349 -8.528 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.658 7.556 -8.597 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.864 9.008 -8.115 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.596 9.825 -8.380 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.039 9.659 -8.860 1.00 1.24 C ATOM 0 H LEU A 141 -8.079 5.836 -6.591 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.589 7.098 -7.714 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.629 7.248 -8.414 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.823 7.496 -9.673 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.080 8.990 -7.047 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.745 10.849 -8.039 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.758 9.381 -7.842 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.381 9.827 -9.449 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.171 10.682 -8.508 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.832 9.667 -9.930 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.950 9.090 -8.671 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.797 5.336 -9.624 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.066 4.136 -10.468 1.00 0.01 C ATOM 2225 C PRO A 142 -9.817 3.641 -11.203 1.00 0.01 C ATOM 2226 O PRO A 142 -8.815 4.319 -11.313 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.138 4.645 -11.459 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.348 6.151 -11.213 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.666 6.521 -9.889 1.00 0.01 C ATOM 0 HA PRO A 142 -11.387 3.277 -9.879 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.819 4.469 -12.486 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.073 4.103 -11.318 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.926 6.732 -12.033 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.412 6.384 -11.171 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.084 7.438 -9.976 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.391 6.678 -9.090 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.917 2.450 -11.726 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.796 1.845 -12.493 1.00 0.01 C ATOM 2239 C ASN A 143 -7.541 1.715 -11.628 1.00 0.01 C ATOM 2240 O ASN A 143 -6.427 1.760 -12.112 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.485 2.726 -13.706 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.794 3.158 -14.373 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.832 2.568 -14.142 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -9.788 4.168 -15.198 1.00 0.56 N ATOM 0 H ASN A 143 -10.746 1.861 -11.651 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.096 0.847 -12.814 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.916 3.602 -13.396 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.866 2.179 -14.417 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -10.654 4.463 -15.649 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -8.917 4.663 -15.392 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.724 1.515 -10.351 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.564 1.333 -9.430 1.00 0.02 C ATOM 2253 C TYR A 144 -5.623 2.542 -9.489 1.00 0.01 C ATOM 2254 O TYR A 144 -4.429 2.400 -9.681 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.805 0.061 -9.832 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.798 -0.964 -10.344 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.828 -1.415 -9.510 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.695 -1.453 -11.655 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.754 -2.353 -9.981 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.623 -2.391 -12.127 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.652 -2.841 -11.290 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.566 -3.765 -11.755 1.00 0.01 O ATOM 0 H TYR A 144 -8.638 1.469 -9.901 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.933 1.242 -8.408 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.068 0.289 -10.602 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.259 -0.338 -8.977 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.908 -1.038 -8.501 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.901 -1.107 -12.300 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.547 -2.700 -9.335 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.545 -2.767 -13.136 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.353 -3.998 -12.683 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.154 3.731 -9.322 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.293 4.962 -9.364 1.00 0.01 C ATOM 2274 C ARG A 145 -5.487 5.773 -8.080 1.00 0.01 C ATOM 2275 O ARG A 145 -6.427 5.558 -7.339 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.699 5.824 -10.561 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.393 5.071 -11.858 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.582 6.011 -13.051 1.00 0.01 C ATOM 2279 NE ARG A 145 -4.511 7.045 -13.045 1.00 0.01 N ATOM 2280 CZ ARG A 145 -4.289 7.760 -14.113 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -5.004 7.565 -15.188 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -3.351 8.668 -14.108 1.00 0.01 N ATOM 0 H ARG A 145 -7.146 3.904 -9.158 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.248 4.665 -9.455 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.761 6.062 -10.508 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.159 6.771 -10.541 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.371 4.692 -11.838 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.051 4.208 -11.954 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -5.550 5.445 -13.982 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -6.561 6.487 -13.001 1.00 0.01 H new ATOM 0 HE ARG A 145 -3.951 7.194 -12.206 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -5.735 6.854 -15.192 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -4.831 8.124 -16.024 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -2.791 8.818 -13.269 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -3.178 9.227 -14.943 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.593 6.689 -7.794 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.710 7.506 -6.550 1.00 0.02 C ATOM 2298 C GLY A 146 -3.985 6.802 -5.398 1.00 0.01 C ATOM 2299 O GLY A 146 -3.207 5.892 -5.600 1.00 0.02 O ATOM 0 H GLY A 146 -3.783 6.905 -8.375 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.281 8.495 -6.712 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.760 7.651 -6.297 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.239 7.230 -4.192 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.571 6.601 -3.014 1.00 0.01 C ATOM 2305 C ARG A 147 -4.090 5.175 -2.853 1.00 0.01 C ATOM 2306 O ARG A 147 -5.249 4.883 -3.083 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.900 7.416 -1.762 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.178 6.811 -0.556 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.326 7.742 0.647 1.00 0.01 C ATOM 2310 NE ARG A 147 -4.762 8.084 0.839 1.00 0.02 N ATOM 2311 CZ ARG A 147 -5.163 8.610 1.965 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.303 8.837 2.921 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -6.422 8.908 2.134 1.00 0.02 N ATOM 0 H ARG A 147 -4.882 7.990 -3.970 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.491 6.580 -3.159 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.595 8.453 -1.900 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.976 7.421 -1.590 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.594 5.831 -0.324 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.123 6.663 -0.787 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.933 7.261 1.543 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.743 8.650 0.491 1.00 0.01 H new ATOM 0 HE ARG A 147 -5.433 7.908 0.091 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.319 8.604 2.788 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.615 9.248 3.801 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -7.093 8.730 1.387 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -6.735 9.319 3.013 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.206 4.275 -2.487 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.573 2.836 -2.332 1.00 0.01 C ATOM 2329 C GLN A 148 -3.343 2.403 -0.876 1.00 0.01 C ATOM 2330 O GLN A 148 -2.455 2.893 -0.207 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.650 2.019 -3.255 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.331 2.828 -4.522 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.222 3.842 -4.228 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.673 3.862 -3.144 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.869 4.692 -5.154 1.00 0.01 N ATOM 0 H GLN A 148 -2.228 4.485 -2.286 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.620 2.677 -2.589 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.728 1.767 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.130 1.078 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -2.020 2.158 -5.323 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -3.226 3.345 -4.869 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -1.330 4.675 -6.064 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.133 5.373 -4.968 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.136 1.480 -0.393 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.980 0.984 1.015 1.00 0.01 C ATOM 2346 C TYR A 149 -3.929 -0.553 1.002 1.00 0.01 C ATOM 2347 O TYR A 149 -4.618 -1.190 0.232 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.176 1.461 1.854 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.749 1.709 3.290 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.394 0.630 4.108 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.707 3.015 3.797 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.998 0.855 5.432 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.310 3.239 5.121 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.957 2.160 5.939 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.567 2.381 7.245 1.00 0.01 O ATOM 0 H TYR A 149 -4.894 1.042 -0.917 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.059 1.373 1.450 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.587 2.376 1.427 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.969 0.713 1.827 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.426 -0.377 3.718 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.981 3.848 3.167 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.724 0.022 6.063 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.276 4.245 5.511 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.362 3.331 7.369 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.124 -1.148 1.846 1.00 0.01 N ATOM 2366 CA LEU A 150 -3.030 -2.645 1.876 1.00 0.01 C ATOM 2367 C LEU A 150 -3.939 -3.189 2.985 1.00 0.01 C ATOM 2368 O LEU A 150 -3.800 -2.849 4.144 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.570 -3.028 2.138 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.346 -4.513 1.805 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.155 -4.801 1.783 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.033 -5.417 2.851 1.00 0.01 C ATOM 0 H LEU A 150 -2.527 -0.664 2.517 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.353 -3.072 0.927 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.909 -2.408 1.533 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.318 -2.839 3.181 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.781 -4.726 0.828 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.320 -5.852 1.547 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.634 -4.180 1.026 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.583 -4.576 2.760 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.862 -6.463 2.596 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.619 -5.211 3.838 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.104 -5.216 2.858 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.876 -4.036 2.626 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.816 -4.624 3.630 1.00 0.01 C ATOM 2386 C LEU A 151 -5.435 -6.078 3.924 1.00 0.01 C ATOM 2387 O LEU A 151 -5.219 -6.868 3.026 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.240 -4.591 3.068 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.533 -3.208 2.478 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -9.007 -3.130 2.082 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.218 -2.126 3.522 1.00 0.01 C ATOM 0 H LEU A 151 -5.030 -4.348 1.667 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.759 -4.043 4.550 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.356 -5.356 2.300 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.957 -4.820 3.856 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.912 -3.047 1.597 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.219 -2.147 1.662 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.225 -3.897 1.339 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.629 -3.290 2.962 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.427 -1.142 3.101 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.837 -2.282 4.405 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.166 -2.185 3.801 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.390 -6.446 5.179 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.064 -7.856 5.555 1.00 0.01 C ATOM 2405 C ASP A 152 -6.337 -8.520 6.083 1.00 0.00 C ATOM 2406 O ASP A 152 -7.360 -7.882 6.222 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.000 -7.857 6.652 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.658 -9.299 7.031 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.530 -10.112 6.132 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -3.536 -9.564 8.216 1.00 2.27 O ATOM 0 H ASP A 152 -5.567 -5.824 5.968 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.686 -8.399 4.689 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.106 -7.339 6.306 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.363 -7.317 7.526 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.294 -9.792 6.384 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.517 -10.468 6.905 1.00 0.01 C ATOM 2417 C LYS A 153 -7.981 -9.735 8.167 1.00 0.01 C ATOM 2418 O LYS A 153 -7.634 -10.109 9.269 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.187 -11.925 7.246 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.786 -12.672 5.970 1.00 0.71 C ATOM 2421 CD LYS A 153 -6.153 -14.015 6.339 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.630 -14.698 5.074 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.755 -15.842 5.455 1.00 1.84 N ATOM 0 H LYS A 153 -5.471 -10.387 6.292 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.306 -10.448 6.154 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.376 -11.964 7.973 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.050 -12.406 7.705 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.661 -12.832 5.340 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -6.082 -12.073 5.392 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -5.338 -13.863 7.046 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.888 -14.652 6.832 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -6.464 -15.050 4.466 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -5.072 -13.985 4.467 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -4.399 -16.308 4.596 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -3.953 -15.493 6.018 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -5.302 -16.525 6.017 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.735 -8.669 8.015 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.192 -7.887 9.213 1.00 0.01 C ATOM 2439 C LYS A 154 -10.662 -7.470 9.089 1.00 0.01 C ATOM 2440 O LYS A 154 -11.271 -7.542 8.035 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.329 -6.629 9.344 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.926 -7.019 9.801 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.016 -5.786 9.769 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.741 -6.074 10.564 1.00 1.44 C ATOM 2445 NZ LYS A 154 -4.296 -7.472 10.298 1.00 2.28 N ATOM 0 H LYS A 154 -9.053 -8.307 7.116 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.091 -8.523 10.093 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.280 -6.108 8.388 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.778 -5.940 10.060 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.962 -7.431 10.809 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.524 -7.798 9.153 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -5.766 -5.532 8.739 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.535 -4.926 10.192 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -3.957 -5.371 10.282 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.925 -5.936 11.629 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.262 -7.532 10.397 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -4.747 -8.115 10.979 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -4.568 -7.745 9.332 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.219 -6.992 10.177 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.635 -6.507 10.189 1.00 0.01 C ATOM 2461 C GLU A 155 -12.622 -4.990 10.427 1.00 0.01 C ATOM 2462 O GLU A 155 -12.292 -4.530 11.503 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.405 -7.207 11.319 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.479 -7.417 12.519 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.313 -7.791 13.746 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.100 -6.963 14.174 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -13.153 -8.898 14.233 1.00 0.01 O ATOM 0 H GLU A 155 -10.741 -6.917 11.075 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.122 -6.731 9.240 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.266 -6.606 11.612 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.789 -8.166 10.971 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -11.758 -8.205 12.302 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -11.909 -6.509 12.716 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.960 -4.206 9.432 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.949 -2.718 9.603 1.00 0.01 C ATOM 2476 C TYR A 156 -14.367 -2.213 9.859 1.00 0.01 C ATOM 2477 O TYR A 156 -15.240 -2.360 9.027 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.389 -2.071 8.333 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.020 -2.637 8.038 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.897 -3.825 7.309 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -9.874 -1.973 8.493 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -9.629 -4.349 7.035 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -8.606 -2.498 8.220 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.483 -3.685 7.492 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.233 -4.202 7.220 1.00 0.01 O ATOM 0 H TYR A 156 -13.243 -4.532 8.508 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.323 -2.454 10.455 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.059 -2.255 7.493 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.327 -0.990 8.460 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -11.781 -4.337 6.958 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -9.969 -1.055 9.055 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -9.534 -5.265 6.471 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -7.722 -1.986 8.572 1.00 0.01 H new ATOM 0 HH TYR A 156 -6.547 -3.619 7.607 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.623 -1.655 11.017 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.007 -1.185 11.333 1.00 0.01 C ATOM 2497 C ARG A 157 -16.189 0.294 10.983 1.00 0.00 C ATOM 2498 O ARG A 157 -17.292 0.732 10.724 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.268 -1.379 12.827 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.109 -0.784 13.629 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.479 -0.757 15.113 1.00 0.00 C ATOM 2502 NE ARG A 157 -15.619 -2.152 15.615 1.00 0.01 N ATOM 2503 CZ ARG A 157 -15.641 -2.386 16.900 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.546 -1.396 17.745 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -15.759 -3.609 17.336 1.00 0.01 N ATOM 0 H ARG A 157 -13.935 -1.505 11.755 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.711 -1.767 10.738 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.204 -0.897 13.109 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.374 -2.440 13.054 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.206 -1.376 13.479 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.890 0.225 13.279 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -14.712 -0.230 15.681 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.412 -0.212 15.256 1.00 0.00 H new ATOM 0 HE ARG A 157 -15.698 -2.926 14.955 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.455 -0.440 17.402 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.563 -1.578 18.748 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -15.834 -4.381 16.674 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -15.776 -3.793 18.339 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.133 1.076 10.963 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.262 2.531 10.614 1.00 0.01 C ATOM 2521 C LYS A 158 -14.291 2.848 9.462 1.00 0.01 C ATOM 2522 O LYS A 158 -13.273 2.200 9.331 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.886 3.369 11.848 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.080 3.445 12.806 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.709 4.311 14.011 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.976 4.681 14.783 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.791 3.454 15.015 1.00 2.54 N ATOM 0 H LYS A 158 -14.184 0.768 11.174 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.283 2.763 10.310 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.029 2.924 12.354 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.589 4.372 11.541 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.945 3.866 12.294 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.360 2.445 13.136 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.019 3.772 14.661 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.196 5.214 13.679 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -16.713 5.142 15.735 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.555 5.415 14.223 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.428 3.608 15.823 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -18.353 3.245 14.166 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -17.161 2.652 15.219 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.563 3.844 8.647 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.624 4.192 7.540 1.00 0.02 C ATOM 2543 C PRO A 159 -12.253 4.597 8.102 1.00 0.01 C ATOM 2544 O PRO A 159 -11.225 4.221 7.573 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.344 5.367 6.852 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.502 5.818 7.763 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.790 4.685 8.759 1.00 0.28 C ATOM 0 HA PRO A 159 -13.413 3.370 6.856 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.651 6.191 6.681 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.723 5.062 5.877 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.236 6.733 8.293 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.390 6.039 7.170 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.934 5.061 9.772 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.690 4.129 8.494 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.219 5.358 9.158 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.905 5.764 9.725 1.00 0.02 C ATOM 2557 C VAL A 160 -10.143 4.505 10.139 1.00 0.02 C ATOM 2558 O VAL A 160 -8.936 4.518 10.268 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.134 6.655 10.948 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.784 7.085 11.528 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -11.926 7.895 10.531 1.00 0.74 C ATOM 0 H VAL A 160 -13.038 5.715 9.650 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.329 6.318 8.983 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.693 6.101 11.702 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.948 7.720 12.399 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.217 6.202 11.824 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.225 7.640 10.775 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.090 8.531 11.401 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.366 8.448 9.777 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.887 7.591 10.117 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.829 3.413 10.338 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.118 2.167 10.732 1.00 0.01 C ATOM 2573 C ASP A 161 -9.208 1.709 9.586 1.00 0.01 C ATOM 2574 O ASP A 161 -8.310 0.911 9.772 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.136 1.067 11.043 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.445 -0.069 11.798 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.834 0.208 12.817 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -10.534 -1.198 11.342 1.00 0.00 O ATOM 0 H ASP A 161 -11.841 3.331 10.246 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.516 2.364 11.619 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.953 1.471 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.574 0.690 10.119 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.418 2.233 8.402 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.551 1.855 7.240 1.00 0.01 C ATOM 2585 C TRP A 162 -7.442 2.910 7.115 1.00 0.01 C ATOM 2586 O TRP A 162 -6.707 2.925 6.146 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.380 1.885 5.925 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.764 0.519 5.419 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.038 -0.630 5.504 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.969 0.176 4.678 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.741 -1.648 4.881 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.935 -1.199 4.355 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.084 0.926 4.266 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.971 -1.808 3.645 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.126 0.319 3.551 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.070 -1.044 3.240 1.00 0.01 C ATOM 0 H TRP A 162 -10.153 2.907 8.190 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.145 0.856 7.398 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.285 2.469 6.090 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.805 2.399 5.155 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.073 -0.731 5.979 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.415 -2.613 4.819 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.138 1.978 4.502 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.924 -2.861 3.410 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.977 0.907 3.239 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.875 -1.506 2.688 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.297 3.782 8.069 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.219 4.801 7.963 1.00 0.01 C ATOM 2609 C GLY A 163 -6.636 5.887 6.971 1.00 0.01 C ATOM 2610 O GLY A 163 -5.839 6.702 6.551 1.00 0.01 O ATOM 0 H GLY A 163 -7.872 3.835 8.910 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.024 5.242 8.940 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.292 4.331 7.635 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.884 5.880 6.569 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.373 6.881 5.572 1.00 0.02 C ATOM 2616 C ALA A 164 -9.111 8.015 6.279 1.00 0.01 C ATOM 2617 O ALA A 164 -9.826 7.811 7.239 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.357 6.190 4.629 1.00 0.01 C ATOM 0 H ALA A 164 -8.589 5.218 6.892 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.521 7.285 5.026 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.723 6.908 3.895 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.854 5.370 4.115 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.197 5.798 5.203 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.939 9.214 5.794 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.620 10.385 6.409 1.00 0.01 C ATOM 2626 C ALA A 165 -11.038 10.524 5.843 1.00 0.02 C ATOM 2627 O ALA A 165 -11.825 11.311 6.331 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.831 11.660 6.098 1.00 0.59 C ATOM 0 H ALA A 165 -8.350 9.433 4.990 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.673 10.236 7.487 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.331 12.517 6.549 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.823 11.573 6.505 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.776 11.799 5.018 1.00 0.59 H new ATOM 2634 N SER A 166 -11.389 9.764 4.829 1.00 0.01 N ATOM 2635 CA SER A 166 -12.769 9.852 4.254 1.00 0.01 C ATOM 2636 C SER A 166 -13.211 8.442 3.803 1.00 0.02 C ATOM 2637 O SER A 166 -12.379 7.635 3.436 1.00 0.01 O ATOM 2638 CB SER A 166 -12.756 10.790 3.046 1.00 0.72 C ATOM 2639 OG SER A 166 -11.624 10.498 2.239 1.00 0.87 O ATOM 0 H SER A 166 -10.777 9.086 4.376 1.00 0.01 H new ATOM 0 HA SER A 166 -13.461 10.237 5.004 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.671 10.669 2.467 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.723 11.828 3.377 1.00 0.72 H new ATOM 0 HG SER A 166 -11.613 11.096 1.463 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.495 8.128 3.810 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.958 6.775 3.367 1.00 0.01 C ATOM 2647 C PRO A 167 -14.933 6.621 1.839 1.00 0.01 C ATOM 2648 O PRO A 167 -15.646 5.805 1.279 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.403 6.757 3.888 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.844 8.219 4.052 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.574 9.064 4.255 1.00 0.22 C ATOM 0 HA PRO A 167 -14.329 5.965 3.735 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.057 6.234 3.191 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.463 6.228 4.839 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.392 8.555 3.172 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.515 8.324 4.905 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.593 9.976 3.659 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.448 9.365 5.295 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.155 7.420 1.158 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.138 7.332 -0.329 1.00 0.01 C ATOM 2661 C ALA A 168 -13.204 6.218 -0.817 1.00 0.01 C ATOM 2662 O ALA A 168 -12.027 6.172 -0.518 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.658 8.666 -0.902 1.00 0.18 C ATOM 0 H ALA A 168 -13.537 8.123 1.563 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.149 7.105 -0.667 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.643 8.610 -1.990 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.335 9.461 -0.589 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.654 8.879 -0.535 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.769 5.329 -1.588 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.014 4.177 -2.165 1.00 0.01 C ATOM 2671 C ILE A 169 -13.625 3.892 -3.536 1.00 0.01 C ATOM 2672 O ILE A 169 -14.827 3.756 -3.658 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.188 2.962 -1.242 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.731 3.346 0.174 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.366 1.767 -1.759 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.670 2.099 1.061 1.00 3.99 C ATOM 0 H ILE A 169 -14.754 5.354 -1.850 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.950 4.392 -2.259 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.237 2.668 -1.225 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.751 3.821 0.132 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.420 4.074 0.603 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.502 0.916 -1.092 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.702 1.500 -2.761 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.311 2.038 -1.791 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.345 2.381 2.063 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.658 1.642 1.115 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.963 1.386 0.638 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.824 3.845 -4.583 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.376 3.620 -5.959 1.00 0.01 C ATOM 2690 C GLN A 170 -12.950 2.272 -6.559 1.00 0.02 C ATOM 2691 O GLN A 170 -13.595 1.802 -7.476 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.899 4.748 -6.879 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.414 6.088 -6.348 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.907 6.222 -6.658 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.387 5.680 -7.633 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.665 6.923 -5.861 1.00 5.17 N ATOM 0 H GLN A 170 -11.811 3.953 -4.540 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.463 3.610 -5.875 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.810 4.757 -6.927 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.261 4.583 -7.894 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.248 6.153 -5.273 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.862 6.909 -6.806 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.261 7.378 -5.042 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.662 7.016 -6.056 1.00 5.17 H new ATOM 2705 N SER A 171 -11.902 1.617 -6.111 1.00 0.01 N ATOM 2706 CA SER A 171 -11.554 0.308 -6.760 1.00 0.01 C ATOM 2707 C SER A 171 -10.708 -0.548 -5.808 1.00 0.01 C ATOM 2708 O SER A 171 -10.086 -0.047 -4.892 1.00 0.01 O ATOM 2709 CB SER A 171 -10.766 0.572 -8.045 1.00 0.01 C ATOM 2710 OG SER A 171 -9.379 0.631 -7.741 1.00 0.02 O ATOM 0 H SER A 171 -11.291 1.917 -5.351 1.00 0.01 H new ATOM 0 HA SER A 171 -12.474 -0.228 -6.995 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.958 -0.218 -8.772 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.091 1.508 -8.499 1.00 0.01 H new ATOM 0 HG SER A 171 -9.022 1.504 -8.008 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.656 -1.840 -6.039 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.821 -2.720 -5.161 1.00 0.01 C ATOM 2718 C PHE A 172 -9.359 -3.967 -5.926 1.00 0.01 C ATOM 2719 O PHE A 172 -9.973 -4.380 -6.889 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.601 -3.120 -3.900 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.935 -3.743 -4.249 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -11.991 -5.048 -4.751 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.120 -3.022 -4.045 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.227 -5.630 -5.055 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.356 -3.606 -4.345 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.409 -4.909 -4.850 1.00 1.92 C ATOM 0 H PHE A 172 -11.151 -2.319 -6.791 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.938 -2.159 -4.856 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.011 -3.825 -3.314 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.761 -2.241 -3.275 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.079 -5.607 -4.904 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.079 -2.015 -3.656 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.269 -6.635 -5.448 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.269 -3.051 -4.187 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.363 -5.359 -5.082 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.260 -4.558 -5.513 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.735 -5.767 -6.225 1.00 0.01 C ATOM 2738 C ARG A 173 -7.094 -6.741 -5.230 1.00 0.01 C ATOM 2739 O ARG A 173 -6.583 -6.356 -4.197 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.654 -5.348 -7.227 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.242 -4.435 -8.311 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.336 -4.463 -9.551 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.918 -4.626 -9.125 1.00 0.01 N ATOM 2744 CZ ARG A 173 -4.013 -4.979 -9.997 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -4.352 -5.188 -11.240 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.770 -5.122 -9.626 1.00 0.01 N ATOM 0 H ARG A 173 -7.705 -4.254 -4.713 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.571 -6.248 -6.733 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.849 -4.830 -6.705 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.216 -6.233 -7.688 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.247 -4.766 -8.574 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.330 -3.416 -7.935 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.626 -5.283 -10.208 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -6.452 -3.541 -10.121 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.655 -4.462 -8.153 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -5.324 -5.075 -11.529 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.645 -5.464 -11.922 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.506 -4.958 -8.655 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.063 -5.398 -10.307 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.114 -8.008 -5.552 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.499 -9.032 -4.653 1.00 0.01 C ATOM 2762 C ARG A 174 -5.012 -9.185 -4.997 1.00 0.01 C ATOM 2763 O ARG A 174 -4.630 -9.156 -6.150 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.196 -10.377 -4.856 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.047 -10.811 -6.316 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.920 -12.039 -6.571 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.690 -12.530 -7.958 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.086 -13.725 -8.300 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.683 -14.491 -7.427 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.887 -14.158 -9.515 1.00 0.01 N ATOM 0 H ARG A 174 -7.532 -8.381 -6.404 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.609 -8.713 -3.617 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.762 -11.128 -4.196 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.251 -10.295 -4.595 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.340 -9.998 -6.980 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.004 -11.041 -6.534 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.683 -12.823 -5.852 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.971 -11.787 -6.432 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.223 -11.932 -8.640 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.840 -14.155 -6.477 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -8.992 -15.425 -7.695 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.421 -13.562 -10.199 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.197 -15.093 -9.781 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.171 -9.368 -4.009 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.711 -9.545 -4.301 1.00 0.01 C ATOM 2786 C ILE A 175 -2.403 -11.036 -4.445 1.00 0.00 C ATOM 2787 O ILE A 175 -2.743 -11.830 -3.592 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.845 -8.981 -3.167 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.323 -7.579 -2.780 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.390 -8.903 -3.643 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.346 -6.965 -1.765 1.00 3.04 C ATOM 0 H ILE A 175 -4.427 -9.403 -3.022 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.483 -9.008 -5.222 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.924 -9.634 -2.298 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.387 -6.948 -3.666 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.324 -7.630 -2.352 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.233 -8.503 -2.843 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.041 -9.900 -3.911 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.326 -8.250 -4.514 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.687 -5.967 -1.490 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.304 -7.592 -0.875 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.353 -6.900 -2.210 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.764 -11.428 -5.520 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.434 -12.874 -5.723 1.00 0.00 C ATOM 2805 C VAL A 176 0.004 -13.003 -6.235 1.00 0.01 C ATOM 2806 O VAL A 176 0.493 -12.159 -6.960 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.381 -13.476 -6.760 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.029 -14.948 -6.977 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.824 -13.365 -6.259 1.00 1.89 C ATOM 0 H VAL A 176 -1.456 -10.807 -6.268 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.540 -13.401 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.281 -12.935 -7.701 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.704 -15.378 -7.717 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.002 -15.028 -7.333 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.130 -15.489 -6.036 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.500 -13.794 -6.999 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -3.925 -13.906 -5.318 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -4.075 -12.316 -6.103 1.00 1.89 H new ATOM 2819 N GLU A 177 0.683 -14.054 -5.864 1.00 0.01 N ATOM 2820 CA GLU A 177 2.087 -14.245 -6.325 1.00 0.01 C ATOM 2821 C GLU A 177 2.118 -14.300 -7.853 1.00 0.01 C ATOM 2822 CB GLU A 177 2.638 -15.556 -5.756 1.00 2.15 C ATOM 2823 CG GLU A 177 2.572 -15.517 -4.228 1.00 3.19 C ATOM 2824 CD GLU A 177 3.110 -16.832 -3.660 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.604 -17.872 -4.046 1.00 4.77 O ATOM 2826 OE2 GLU A 177 4.018 -16.775 -2.846 1.00 4.89 O ATOM 0 H GLU A 177 0.324 -14.792 -5.258 1.00 0.01 H new ATOM 0 HA GLU A 177 2.700 -13.413 -5.978 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.061 -16.400 -6.134 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.668 -15.702 -6.082 1.00 2.15 H new ATOM 0 HG2 GLU A 177 3.157 -14.679 -3.849 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.544 -15.361 -3.902 1.00 3.19 H new TER 2833 GLU A 177