USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 65:sc= 1.22 USER MOD Set 2.1: A 33 GLN : amide:sc= -0.352 K(o=-0.29,f=-1.4) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= 0.0622 F(o=-2.3,f=-0.29) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -38:sc= -2.03 USER MOD Single : A 12 LYS NZ :NH3+ -111:sc= -1.14 (180deg=-3.15!) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00121 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -0.0859 (180deg=-0.493) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= -0.0982 USER MOD Single : A 22 SER OG : rot 180:sc= 0.063 USER MOD Single : A 27 TYR OH : rot 65:sc= 0.916 USER MOD Single : A 31 THR OG1 : rot -127:sc= 0.42 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.331 USER MOD Single : A 40 THR OG1 : rot -61:sc= -0.376 USER MOD Single : A 41 HIS : no HD1:sc= -0.696 K(o=-0.7,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -8.98! C(o=-9!,f=-13!) USER MOD Single : A 56 MET CE :methyl 134:sc= -0.0168 (180deg=-0.487) USER MOD Single : A 60 ASN : amide:sc= 0.21 X(o=0.21,f=-0.0059) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 2:sc= 0.819 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.66! C(o=-12!,f=-9.7!) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0.00146 (180deg=0.00115) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc=-0.00976 (180deg=-0.159) USER MOD Single : A 82 SER OG : rot -160:sc= 0.0711 USER MOD Single : A 87 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 60:sc= -2.02! USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.000598 USER MOD Single : A 98 LYS NZ :NH3+ 146:sc= 0.0131 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.0787 X(o=0.079,f=0) USER MOD Single : A 102 THR OG1 : rot 66:sc= 0.744 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.46 USER MOD Single : A 106 MET CE :methyl -145:sc= -4.92! (180deg=-8.47!) USER MOD Single : A 119 THR OG1 : rot 73:sc= 0.926 USER MOD Single : A 121 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.7!) USER MOD Single : A 124 GLN : amide:sc= -1.37 K(o=-1.4,f=-1.9!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -177:sc= -0.368 (180deg=-0.414) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 58:sc= 0.143 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.064 -0.072 5.522 1.00 0.00 N ATOM 67 CA ILE A 8 18.990 -1.011 5.822 1.00 0.00 C ATOM 68 C ILE A 8 18.446 -1.650 4.549 1.00 0.00 C ATOM 69 O ILE A 8 18.248 -0.989 3.529 1.00 0.00 O ATOM 70 CB ILE A 8 17.834 -0.322 6.572 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.030 -0.449 8.084 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.500 -0.922 6.153 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.743 -0.347 8.871 1.00 0.00 C ATOM 0 HA ILE A 8 19.417 -1.785 6.460 1.00 0.00 H new ATOM 0 HB ILE A 8 17.832 0.737 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.504 -1.406 8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.715 0.330 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.693 -0.425 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.360 -0.785 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.491 -1.987 6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.958 -0.446 9.935 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.277 0.621 8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.064 -1.142 8.563 1.00 0.00 H new ATOM 85 N PRO A 9 18.197 -2.966 4.608 1.00 0.00 N ATOM 86 CA PRO A 9 17.670 -3.724 3.468 1.00 0.00 C ATOM 87 C PRO A 9 16.169 -3.527 3.285 1.00 0.00 C ATOM 88 O PRO A 9 15.438 -3.312 4.253 1.00 0.00 O ATOM 89 CB PRO A 9 17.978 -5.177 3.836 1.00 0.00 C ATOM 90 CG PRO A 9 18.017 -5.191 5.325 1.00 0.00 C ATOM 91 CD PRO A 9 18.410 -3.817 5.790 1.00 0.00 C ATOM 0 HA PRO A 9 18.115 -3.405 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.213 -5.853 3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.929 -5.500 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.043 -5.467 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.732 -5.933 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.799 -3.491 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.449 -3.789 6.120 1.00 0.00 H new ATOM 99 N THR A 10 15.715 -3.602 2.038 1.00 0.00 N ATOM 100 CA THR A 10 14.301 -3.431 1.729 1.00 0.00 C ATOM 101 C THR A 10 13.858 -4.394 0.633 1.00 0.00 C ATOM 102 O THR A 10 14.663 -5.162 0.105 1.00 0.00 O ATOM 103 CB THR A 10 13.993 -1.989 1.285 1.00 0.00 C ATOM 104 OG1 THR A 10 14.705 -1.684 0.080 1.00 0.00 O ATOM 105 CG2 THR A 10 14.377 -0.995 2.371 1.00 0.00 C ATOM 0 H THR A 10 16.306 -3.780 1.226 1.00 0.00 H new ATOM 0 HA THR A 10 13.749 -3.647 2.644 1.00 0.00 H new ATOM 0 HB THR A 10 12.921 -1.910 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.502 -0.766 -0.196 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.150 0.017 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.812 -1.211 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.444 -1.078 2.579 1.00 0.00 H new ATOM 113 N CYS A 11 12.574 -4.346 0.294 1.00 0.00 N ATOM 114 CA CYS A 11 12.024 -5.215 -0.741 1.00 0.00 C ATOM 115 C CYS A 11 10.812 -4.570 -1.404 1.00 0.00 C ATOM 116 O CYS A 11 10.438 -3.443 -1.078 1.00 0.00 O ATOM 117 CB CYS A 11 11.635 -6.569 -0.145 1.00 0.00 C ATOM 118 SG CYS A 11 10.376 -6.471 1.149 1.00 0.00 S ATOM 0 H CYS A 11 11.895 -3.715 0.720 1.00 0.00 H new ATOM 0 HA CYS A 11 12.792 -5.367 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.270 -7.214 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.527 -7.043 0.265 1.00 0.00 H new ATOM 0 HG CYS A 11 10.589 -5.420 1.883 1.00 0.00 H new ATOM 124 N LYS A 12 10.202 -5.291 -2.339 1.00 0.00 N ATOM 125 CA LYS A 12 9.032 -4.790 -3.050 1.00 0.00 C ATOM 126 C LYS A 12 7.772 -5.529 -2.612 1.00 0.00 C ATOM 127 O LYS A 12 7.795 -6.742 -2.398 1.00 0.00 O ATOM 128 CB LYS A 12 9.225 -4.940 -4.561 1.00 0.00 C ATOM 129 CG LYS A 12 7.984 -4.603 -5.369 1.00 0.00 C ATOM 130 CD LYS A 12 8.301 -4.474 -6.850 1.00 0.00 C ATOM 131 CE LYS A 12 9.155 -3.248 -7.131 1.00 0.00 C ATOM 132 NZ LYS A 12 10.610 -3.553 -7.041 1.00 0.00 N ATOM 0 H LYS A 12 10.499 -6.225 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 12 8.915 -3.734 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.043 -4.294 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.524 -5.965 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.232 -5.378 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.554 -3.670 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.823 -5.368 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.373 -4.410 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.925 -2.865 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.904 -2.460 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.013 -3.078 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.745 -4.581 -6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.090 -3.213 -7.899 1.00 0.00 H new ATOM 146 N ILE A 13 6.674 -4.792 -2.483 1.00 0.00 N ATOM 147 CA ILE A 13 5.404 -5.379 -2.073 1.00 0.00 C ATOM 148 C ILE A 13 4.325 -5.144 -3.125 1.00 0.00 C ATOM 149 O ILE A 13 3.630 -4.127 -3.102 1.00 0.00 O ATOM 150 CB ILE A 13 4.926 -4.804 -0.727 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.907 -5.175 0.388 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.529 -5.311 -0.400 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.108 -6.666 0.545 1.00 0.00 C ATOM 0 H ILE A 13 6.638 -3.787 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 13 5.573 -6.450 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 13 4.888 -3.718 -0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.870 -4.706 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.545 -4.764 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.205 -4.896 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.837 -5.002 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.542 -6.399 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.815 -6.855 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.154 -7.139 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.499 -7.080 -0.384 1.00 0.00 H new ATOM 165 N THR A 14 4.188 -6.092 -4.047 1.00 0.00 N ATOM 166 CA THR A 14 3.194 -5.990 -5.107 1.00 0.00 C ATOM 167 C THR A 14 1.954 -6.815 -4.780 1.00 0.00 C ATOM 168 O THR A 14 2.024 -8.039 -4.664 1.00 0.00 O ATOM 169 CB THR A 14 3.764 -6.455 -6.460 1.00 0.00 C ATOM 170 OG1 THR A 14 5.177 -6.222 -6.502 1.00 0.00 O ATOM 171 CG2 THR A 14 3.090 -5.725 -7.612 1.00 0.00 C ATOM 0 H THR A 14 4.754 -6.940 -4.080 1.00 0.00 H new ATOM 0 HA THR A 14 2.918 -4.938 -5.180 1.00 0.00 H new ATOM 0 HB THR A 14 3.568 -7.522 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.532 -6.522 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.509 -6.071 -8.557 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.019 -5.928 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.258 -4.653 -7.511 1.00 0.00 H new ATOM 179 N LEU A 15 0.821 -6.138 -4.633 1.00 0.00 N ATOM 180 CA LEU A 15 -0.436 -6.810 -4.320 1.00 0.00 C ATOM 181 C LEU A 15 -1.497 -6.497 -5.371 1.00 0.00 C ATOM 182 O LEU A 15 -1.815 -5.334 -5.620 1.00 0.00 O ATOM 183 CB LEU A 15 -0.932 -6.387 -2.936 1.00 0.00 C ATOM 184 CG LEU A 15 0.109 -6.405 -1.816 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.330 -5.513 -0.666 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.345 -7.828 -1.330 1.00 0.00 C ATOM 0 H LEU A 15 0.746 -5.125 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.256 -7.885 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.339 -5.379 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.755 -7.043 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 15 1.048 -6.017 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.423 -5.538 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.447 -4.490 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.281 -5.870 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.089 -7.822 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.589 -8.243 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.705 -8.440 -2.157 1.00 0.00 H new ATOM 198 N LYS A 16 -2.043 -7.543 -5.982 1.00 0.00 N ATOM 199 CA LYS A 16 -3.072 -7.381 -7.003 1.00 0.00 C ATOM 200 C LYS A 16 -4.401 -7.963 -6.533 1.00 0.00 C ATOM 201 O LYS A 16 -4.605 -9.176 -6.571 1.00 0.00 O ATOM 202 CB LYS A 16 -2.638 -8.058 -8.305 1.00 0.00 C ATOM 203 CG LYS A 16 -1.618 -7.258 -9.096 1.00 0.00 C ATOM 204 CD LYS A 16 -0.207 -7.489 -8.582 1.00 0.00 C ATOM 205 CE LYS A 16 0.818 -7.386 -9.701 1.00 0.00 C ATOM 206 NZ LYS A 16 0.653 -8.472 -10.707 1.00 0.00 N ATOM 0 H LYS A 16 -1.790 -8.512 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.206 -6.314 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.219 -9.037 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.517 -8.227 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.673 -7.537 -10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.859 -6.197 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.024 -6.757 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.144 -8.474 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.722 -6.418 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.822 -7.431 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.567 -8.663 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.316 -9.335 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.039 -8.178 -11.425 1.00 0.00 H new ATOM 220 N GLU A 17 -5.302 -7.091 -6.093 1.00 0.00 N ATOM 221 CA GLU A 17 -6.612 -7.520 -5.617 1.00 0.00 C ATOM 222 C GLU A 17 -7.727 -6.865 -6.427 1.00 0.00 C ATOM 223 O GLU A 17 -7.652 -5.683 -6.766 1.00 0.00 O ATOM 224 CB GLU A 17 -6.777 -7.181 -4.135 1.00 0.00 C ATOM 225 CG GLU A 17 -7.770 -8.076 -3.413 1.00 0.00 C ATOM 226 CD GLU A 17 -7.181 -9.423 -3.042 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.670 -10.115 -3.948 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.231 -9.785 -1.848 1.00 0.00 O ATOM 0 H GLU A 17 -5.149 -6.083 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.680 -8.600 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.807 -7.258 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.101 -6.144 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.115 -7.574 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.644 -8.228 -4.047 1.00 0.00 H new ATOM 235 N THR A 18 -8.761 -7.641 -6.735 1.00 0.00 N ATOM 236 CA THR A 18 -9.891 -7.138 -7.506 1.00 0.00 C ATOM 237 C THR A 18 -11.045 -6.738 -6.594 1.00 0.00 C ATOM 238 O THR A 18 -11.334 -7.417 -5.609 1.00 0.00 O ATOM 239 CB THR A 18 -10.391 -8.185 -8.519 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.292 -8.687 -9.288 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.435 -7.584 -9.448 1.00 0.00 C ATOM 0 H THR A 18 -8.839 -8.621 -6.462 1.00 0.00 H new ATOM 0 HA THR A 18 -9.538 -6.260 -8.047 1.00 0.00 H new ATOM 0 HB THR A 18 -10.850 -9.004 -7.965 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.618 -9.353 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.773 -8.342 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.283 -7.230 -8.862 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.998 -6.748 -9.994 1.00 0.00 H new ATOM 249 N PHE A 19 -11.702 -5.632 -6.929 1.00 0.00 N ATOM 250 CA PHE A 19 -12.825 -5.142 -6.138 1.00 0.00 C ATOM 251 C PHE A 19 -14.116 -5.171 -6.952 1.00 0.00 C ATOM 252 O PHE A 19 -14.113 -4.895 -8.152 1.00 0.00 O ATOM 253 CB PHE A 19 -12.549 -3.718 -5.649 1.00 0.00 C ATOM 254 CG PHE A 19 -11.454 -3.639 -4.624 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.134 -3.855 -4.983 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.746 -3.348 -3.301 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.125 -3.783 -4.041 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.741 -3.274 -2.355 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.429 -3.491 -2.726 1.00 0.00 C ATOM 0 H PHE A 19 -11.476 -5.059 -7.742 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.944 -5.798 -5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.283 -3.094 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.464 -3.304 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.890 -4.082 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.771 -3.177 -3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.100 -3.955 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.982 -3.047 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.642 -3.432 -1.989 1.00 0.00 H new ATOM 269 N LEU A 20 -15.218 -5.507 -6.290 1.00 0.00 N ATOM 270 CA LEU A 20 -16.517 -5.573 -6.950 1.00 0.00 C ATOM 271 C LEU A 20 -17.131 -4.183 -7.084 1.00 0.00 C ATOM 272 O LEU A 20 -18.338 -4.007 -6.915 1.00 0.00 O ATOM 273 CB LEU A 20 -17.462 -6.488 -6.169 1.00 0.00 C ATOM 274 CG LEU A 20 -17.201 -7.989 -6.298 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.538 -8.471 -7.701 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.754 -8.311 -5.954 1.00 0.00 C ATOM 0 H LEU A 20 -15.238 -5.738 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.369 -5.982 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.407 -6.219 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.482 -6.287 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.846 -8.512 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.346 -9.541 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.590 -8.276 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.920 -7.941 -8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.587 -9.384 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.091 -7.777 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.546 -8.003 -4.929 1.00 0.00 H new ATOM 288 N THR A 21 -16.292 -3.198 -7.391 1.00 0.00 N ATOM 289 CA THR A 21 -16.752 -1.824 -7.549 1.00 0.00 C ATOM 290 C THR A 21 -16.013 -1.124 -8.683 1.00 0.00 C ATOM 291 O THR A 21 -14.989 -1.610 -9.163 1.00 0.00 O ATOM 292 CB THR A 21 -16.563 -1.016 -6.251 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.345 0.182 -6.302 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.098 -0.663 -6.042 1.00 0.00 C ATOM 0 H THR A 21 -15.290 -3.327 -7.535 1.00 0.00 H new ATOM 0 HA THR A 21 -17.815 -1.871 -7.787 1.00 0.00 H new ATOM 0 HB THR A 21 -16.895 -1.631 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.989 0.184 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.989 -0.093 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.509 -1.578 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.744 -0.065 -6.882 1.00 0.00 H new ATOM 302 N SER A 22 -16.537 0.022 -9.106 1.00 0.00 N ATOM 303 CA SER A 22 -15.928 0.788 -10.187 1.00 0.00 C ATOM 304 C SER A 22 -14.739 1.596 -9.676 1.00 0.00 C ATOM 305 O SER A 22 -14.672 1.980 -8.508 1.00 0.00 O ATOM 306 CB SER A 22 -16.959 1.723 -10.822 1.00 0.00 C ATOM 307 OG SER A 22 -17.824 2.269 -9.842 1.00 0.00 O ATOM 0 H SER A 22 -17.382 0.440 -8.717 1.00 0.00 H new ATOM 0 HA SER A 22 -15.572 0.086 -10.941 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.448 2.528 -11.350 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.543 1.176 -11.563 1.00 0.00 H new ATOM 0 HG SER A 22 -18.472 2.864 -10.273 1.00 0.00 H new ATOM 313 N PRO A 23 -13.777 1.862 -10.572 1.00 0.00 N ATOM 314 CA PRO A 23 -12.572 2.627 -10.237 1.00 0.00 C ATOM 315 C PRO A 23 -12.893 3.911 -9.480 1.00 0.00 C ATOM 316 O PRO A 23 -12.492 4.080 -8.329 1.00 0.00 O ATOM 317 CB PRO A 23 -11.965 2.949 -11.604 1.00 0.00 C ATOM 318 CG PRO A 23 -12.453 1.865 -12.501 1.00 0.00 C ATOM 319 CD PRO A 23 -13.791 1.436 -11.982 1.00 0.00 C ATOM 0 HA PRO A 23 -11.904 2.070 -9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.284 3.929 -11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.876 2.966 -11.559 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.534 2.221 -13.528 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.756 1.027 -12.508 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.604 1.908 -12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.928 0.358 -12.073 1.00 0.00 H new ATOM 327 N GLU A 24 -13.619 4.812 -10.134 1.00 0.00 N ATOM 328 CA GLU A 24 -13.993 6.081 -9.521 1.00 0.00 C ATOM 329 C GLU A 24 -14.400 5.883 -8.064 1.00 0.00 C ATOM 330 O GLU A 24 -14.083 6.704 -7.204 1.00 0.00 O ATOM 331 CB GLU A 24 -15.140 6.730 -10.299 1.00 0.00 C ATOM 332 CG GLU A 24 -16.518 6.335 -9.795 1.00 0.00 C ATOM 333 CD GLU A 24 -17.631 6.799 -10.713 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.878 8.022 -10.774 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.255 5.941 -11.372 1.00 0.00 O ATOM 0 H GLU A 24 -13.960 4.687 -11.087 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.125 6.739 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.039 7.814 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.055 6.456 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.566 5.251 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.672 6.757 -8.802 1.00 0.00 H new ATOM 342 N GLU A 25 -15.105 4.788 -7.796 1.00 0.00 N ATOM 343 CA GLU A 25 -15.556 4.483 -6.444 1.00 0.00 C ATOM 344 C GLU A 25 -14.369 4.283 -5.506 1.00 0.00 C ATOM 345 O GLU A 25 -14.123 5.098 -4.616 1.00 0.00 O ATOM 346 CB GLU A 25 -16.435 3.230 -6.446 1.00 0.00 C ATOM 347 CG GLU A 25 -17.436 3.187 -5.305 1.00 0.00 C ATOM 348 CD GLU A 25 -18.200 4.487 -5.149 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.965 4.841 -6.071 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.033 5.151 -4.105 1.00 0.00 O ATOM 0 H GLU A 25 -15.376 4.098 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.142 5.329 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.973 3.176 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.796 2.348 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.141 2.374 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.912 2.964 -4.375 1.00 0.00 H new ATOM 357 N LEU A 26 -13.637 3.194 -5.711 1.00 0.00 N ATOM 358 CA LEU A 26 -12.476 2.886 -4.884 1.00 0.00 C ATOM 359 C LEU A 26 -11.487 4.047 -4.879 1.00 0.00 C ATOM 360 O LEU A 26 -10.680 4.185 -3.959 1.00 0.00 O ATOM 361 CB LEU A 26 -11.786 1.617 -5.391 1.00 0.00 C ATOM 362 CG LEU A 26 -10.812 0.949 -4.420 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.561 0.356 -3.237 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.001 -0.124 -5.132 1.00 0.00 C ATOM 0 H LEU A 26 -13.827 2.509 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.822 2.722 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.555 0.892 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.246 1.862 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.124 1.707 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.852 -0.115 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.097 1.147 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.272 -0.389 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.313 -0.589 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.674 -0.881 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.434 0.328 -5.946 1.00 0.00 H new ATOM 376 N TYR A 27 -11.558 4.882 -5.910 1.00 0.00 N ATOM 377 CA TYR A 27 -10.670 6.033 -6.024 1.00 0.00 C ATOM 378 C TYR A 27 -10.866 6.991 -4.852 1.00 0.00 C ATOM 379 O TYR A 27 -10.020 7.845 -4.587 1.00 0.00 O ATOM 380 CB TYR A 27 -10.917 6.766 -7.343 1.00 0.00 C ATOM 381 CG TYR A 27 -9.905 7.852 -7.631 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.551 7.647 -7.397 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.303 9.083 -8.137 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.623 8.636 -7.658 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.382 10.078 -8.402 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.044 9.850 -8.161 1.00 0.00 C ATOM 387 OH TYR A 27 -7.123 10.839 -8.423 1.00 0.00 O ATOM 0 H TYR A 27 -12.221 4.783 -6.679 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.642 5.670 -6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.904 6.043 -8.159 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.914 7.206 -7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.218 6.698 -7.004 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.351 9.265 -8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.574 8.460 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.708 11.029 -8.796 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.526 10.548 -9.144 1.00 0.00 H new ATOM 397 N ARG A 28 -11.987 6.841 -4.155 1.00 0.00 N ATOM 398 CA ARG A 28 -12.296 7.692 -3.013 1.00 0.00 C ATOM 399 C ARG A 28 -11.888 7.017 -1.706 1.00 0.00 C ATOM 400 O ARG A 28 -11.177 7.602 -0.889 1.00 0.00 O ATOM 401 CB ARG A 28 -13.789 8.022 -2.984 1.00 0.00 C ATOM 402 CG ARG A 28 -14.393 8.235 -4.363 1.00 0.00 C ATOM 403 CD ARG A 28 -15.839 7.769 -4.416 1.00 0.00 C ATOM 404 NE ARG A 28 -16.631 8.549 -5.363 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.214 9.704 -5.057 1.00 0.00 C ATOM 406 NH1 ARG A 28 -17.093 10.208 -3.837 1.00 0.00 N ATOM 407 NH2 ARG A 28 -17.919 10.356 -5.973 1.00 0.00 N ATOM 0 H ARG A 28 -12.697 6.138 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.729 8.617 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.322 7.213 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.942 8.921 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.340 9.292 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.807 7.693 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.871 6.716 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.282 7.847 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.743 8.188 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.552 9.710 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.541 11.094 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.014 9.971 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.366 11.242 -5.737 1.00 0.00 H new ATOM 421 N VAL A 29 -12.344 5.783 -1.516 1.00 0.00 N ATOM 422 CA VAL A 29 -12.027 5.029 -0.310 1.00 0.00 C ATOM 423 C VAL A 29 -10.546 5.143 0.036 1.00 0.00 C ATOM 424 O VAL A 29 -10.149 4.943 1.184 1.00 0.00 O ATOM 425 CB VAL A 29 -12.393 3.541 -0.466 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.969 2.754 0.765 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.885 3.384 -0.721 1.00 0.00 C ATOM 0 H VAL A 29 -12.934 5.285 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.620 5.459 0.497 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.856 3.141 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.236 1.705 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.891 2.840 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.476 3.152 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.126 2.327 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.443 3.800 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.156 3.913 -1.635 1.00 0.00 H new ATOM 437 N PHE A 30 -9.734 5.465 -0.965 1.00 0.00 N ATOM 438 CA PHE A 30 -8.296 5.605 -0.767 1.00 0.00 C ATOM 439 C PHE A 30 -7.897 7.077 -0.703 1.00 0.00 C ATOM 440 O PHE A 30 -6.848 7.425 -0.159 1.00 0.00 O ATOM 441 CB PHE A 30 -7.534 4.906 -1.895 1.00 0.00 C ATOM 442 CG PHE A 30 -7.450 3.416 -1.728 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.554 2.615 -1.969 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.266 2.816 -1.330 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.480 1.243 -1.816 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.186 1.445 -1.176 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.294 0.658 -1.419 1.00 0.00 C ATOM 0 H PHE A 30 -10.047 5.634 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.037 5.135 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.020 5.130 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.525 5.315 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.484 3.068 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.396 3.427 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.348 0.630 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.257 0.989 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.233 -0.414 -1.299 1.00 0.00 H new ATOM 457 N THR A 31 -8.740 7.937 -1.265 1.00 0.00 N ATOM 458 CA THR A 31 -8.476 9.370 -1.274 1.00 0.00 C ATOM 459 C THR A 31 -9.512 10.126 -0.450 1.00 0.00 C ATOM 460 O THR A 31 -9.696 11.332 -0.619 1.00 0.00 O ATOM 461 CB THR A 31 -8.470 9.931 -2.709 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.791 9.881 -3.260 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.516 9.143 -3.594 1.00 0.00 C ATOM 0 H THR A 31 -9.612 7.666 -1.720 1.00 0.00 H new ATOM 0 HA THR A 31 -7.490 9.512 -0.831 1.00 0.00 H new ATOM 0 HB THR A 31 -8.132 10.967 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.768 9.416 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.529 9.557 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.506 9.207 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.828 8.099 -3.627 1.00 0.00 H new ATOM 471 N THR A 32 -10.186 9.410 0.444 1.00 0.00 N ATOM 472 CA THR A 32 -11.205 10.013 1.295 1.00 0.00 C ATOM 473 C THR A 32 -11.050 9.560 2.743 1.00 0.00 C ATOM 474 O THR A 32 -11.378 8.424 3.084 1.00 0.00 O ATOM 475 CB THR A 32 -12.623 9.663 0.808 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.736 9.919 -0.596 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.669 10.471 1.562 1.00 0.00 C ATOM 0 H THR A 32 -10.045 8.412 0.598 1.00 0.00 H new ATOM 0 HA THR A 32 -11.066 11.093 1.238 1.00 0.00 H new ATOM 0 HB THR A 32 -12.798 8.604 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.538 10.455 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.663 10.207 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.600 10.251 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.495 11.534 1.399 1.00 0.00 H new ATOM 485 N GLN A 33 -10.551 10.456 3.588 1.00 0.00 N ATOM 486 CA GLN A 33 -10.354 10.146 4.999 1.00 0.00 C ATOM 487 C GLN A 33 -11.545 9.376 5.559 1.00 0.00 C ATOM 488 O GLN A 33 -11.418 8.216 5.948 1.00 0.00 O ATOM 489 CB GLN A 33 -10.141 11.432 5.800 1.00 0.00 C ATOM 490 CG GLN A 33 -10.098 11.212 7.304 1.00 0.00 C ATOM 491 CD GLN A 33 -9.923 12.504 8.077 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.737 13.571 7.492 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.982 12.415 9.401 1.00 0.00 N ATOM 0 H GLN A 33 -10.276 11.401 3.321 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.466 9.520 5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.208 11.898 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.943 12.133 5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.019 10.724 7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.279 10.535 7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.138 11.510 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.871 13.252 9.974 1.00 0.00 H new ATOM 502 N GLU A 34 -12.702 10.030 5.597 1.00 0.00 N ATOM 503 CA GLU A 34 -13.915 9.406 6.111 1.00 0.00 C ATOM 504 C GLU A 34 -14.002 7.946 5.677 1.00 0.00 C ATOM 505 O GLU A 34 -14.004 7.038 6.509 1.00 0.00 O ATOM 506 CB GLU A 34 -15.151 10.167 5.627 1.00 0.00 C ATOM 507 CG GLU A 34 -16.464 9.523 6.040 1.00 0.00 C ATOM 508 CD GLU A 34 -17.648 10.456 5.880 1.00 0.00 C ATOM 509 OE1 GLU A 34 -18.096 10.653 4.730 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.127 10.989 6.902 1.00 0.00 O ATOM 0 H GLU A 34 -12.824 10.991 5.278 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.878 9.442 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.117 11.184 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.119 10.241 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.629 8.627 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.396 9.203 7.080 1.00 0.00 H new ATOM 517 N LEU A 35 -14.073 7.727 4.369 1.00 0.00 N ATOM 518 CA LEU A 35 -14.160 6.377 3.822 1.00 0.00 C ATOM 519 C LEU A 35 -13.096 5.472 4.434 1.00 0.00 C ATOM 520 O LEU A 35 -13.314 4.275 4.618 1.00 0.00 O ATOM 521 CB LEU A 35 -14.005 6.410 2.301 1.00 0.00 C ATOM 522 CG LEU A 35 -14.983 7.311 1.546 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.842 7.112 0.045 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.412 7.036 1.990 1.00 0.00 C ATOM 0 H LEU A 35 -14.072 8.467 3.667 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.141 5.973 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.990 6.732 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.113 5.393 1.923 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.745 8.349 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.546 7.761 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.825 7.359 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.054 6.073 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.095 7.686 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.662 5.995 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.505 7.230 3.059 1.00 0.00 H new ATOM 536 N VAL A 36 -11.943 6.053 4.750 1.00 0.00 N ATOM 537 CA VAL A 36 -10.845 5.301 5.345 1.00 0.00 C ATOM 538 C VAL A 36 -11.165 4.903 6.781 1.00 0.00 C ATOM 539 O VAL A 36 -10.958 3.757 7.179 1.00 0.00 O ATOM 540 CB VAL A 36 -9.535 6.111 5.328 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.370 5.252 5.796 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.271 6.668 3.937 1.00 0.00 C ATOM 0 H VAL A 36 -11.745 7.043 4.604 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.715 4.402 4.743 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.638 6.949 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.453 5.841 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.558 4.906 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.263 4.393 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.342 7.237 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.188 5.846 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.094 7.320 3.644 1.00 0.00 H new ATOM 552 N GLN A 37 -11.672 5.859 7.554 1.00 0.00 N ATOM 553 CA GLN A 37 -12.021 5.608 8.948 1.00 0.00 C ATOM 554 C GLN A 37 -13.184 4.626 9.049 1.00 0.00 C ATOM 555 O GLN A 37 -13.592 4.244 10.146 1.00 0.00 O ATOM 556 CB GLN A 37 -12.381 6.919 9.649 1.00 0.00 C ATOM 557 CG GLN A 37 -11.202 7.583 10.341 1.00 0.00 C ATOM 558 CD GLN A 37 -11.556 8.934 10.929 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.715 9.932 10.068 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.685 9.080 12.145 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.850 6.813 7.239 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.154 5.168 9.441 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.798 7.610 8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.161 6.725 10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.836 6.930 11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.387 7.704 9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.554 8.285 12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.923 9.996 12.526 1.00 0.00 H new ATOM 569 N ALA A 38 -13.713 4.223 7.899 1.00 0.00 N ATOM 570 CA ALA A 38 -14.828 3.285 7.859 1.00 0.00 C ATOM 571 C ALA A 38 -14.332 1.843 7.837 1.00 0.00 C ATOM 572 O ALA A 38 -14.784 1.008 8.621 1.00 0.00 O ATOM 573 CB ALA A 38 -15.707 3.561 6.648 1.00 0.00 C ATOM 0 H ALA A 38 -13.388 4.531 6.983 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.420 3.424 8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.536 2.853 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.099 4.577 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.117 3.451 5.738 1.00 0.00 H new ATOM 579 N PHE A 39 -13.401 1.556 6.933 1.00 0.00 N ATOM 580 CA PHE A 39 -12.844 0.214 6.808 1.00 0.00 C ATOM 581 C PHE A 39 -11.688 0.012 7.783 1.00 0.00 C ATOM 582 O PHE A 39 -11.138 -1.085 7.893 1.00 0.00 O ATOM 583 CB PHE A 39 -12.368 -0.031 5.375 1.00 0.00 C ATOM 584 CG PHE A 39 -11.080 0.667 5.044 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.876 0.208 5.554 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.073 1.783 4.222 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.690 0.850 5.251 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.890 2.429 3.915 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.697 1.961 4.430 1.00 0.00 C ATOM 0 H PHE A 39 -13.016 2.235 6.276 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.629 -0.503 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.241 -1.103 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.141 0.302 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.864 -0.661 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.003 2.152 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.758 0.483 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.899 3.298 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.771 2.463 4.191 1.00 0.00 H new ATOM 599 N THR A 40 -11.323 1.078 8.489 1.00 0.00 N ATOM 600 CA THR A 40 -10.231 1.019 9.453 1.00 0.00 C ATOM 601 C THR A 40 -10.751 1.150 10.880 1.00 0.00 C ATOM 602 O THR A 40 -10.081 0.753 11.834 1.00 0.00 O ATOM 603 CB THR A 40 -9.192 2.126 9.193 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.815 3.413 9.278 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.552 1.957 7.823 1.00 0.00 C ATOM 0 H THR A 40 -11.768 1.993 8.411 1.00 0.00 H new ATOM 0 HA THR A 40 -9.753 0.047 9.331 1.00 0.00 H new ATOM 0 HB THR A 40 -8.414 2.048 9.952 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.513 3.485 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.822 2.750 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.054 0.989 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.321 2.010 7.053 1.00 0.00 H new ATOM 613 N HIS A 41 -11.948 1.709 11.020 1.00 0.00 N ATOM 614 CA HIS A 41 -12.558 1.891 12.332 1.00 0.00 C ATOM 615 C HIS A 41 -11.537 2.415 13.338 1.00 0.00 C ATOM 616 O HIS A 41 -11.558 2.040 14.510 1.00 0.00 O ATOM 617 CB HIS A 41 -13.152 0.573 12.829 1.00 0.00 C ATOM 618 CG HIS A 41 -14.176 -0.010 11.905 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.529 0.215 12.042 1.00 0.00 N ATOM 620 CD2 HIS A 41 -14.037 -0.811 10.823 1.00 0.00 C ATOM 621 CE1 HIS A 41 -16.179 -0.424 11.087 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.297 -1.055 10.333 1.00 0.00 N ATOM 0 H HIS A 41 -12.515 2.044 10.241 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.357 2.627 12.235 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.347 -0.149 12.968 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.607 0.735 13.806 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.109 -1.188 10.420 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.250 -0.430 10.946 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.516 -1.630 9.519 1.00 0.00 H new ATOM 631 N ALA A 42 -10.645 3.282 12.871 1.00 0.00 N ATOM 632 CA ALA A 42 -9.618 3.858 13.730 1.00 0.00 C ATOM 633 C ALA A 42 -9.283 5.284 13.306 1.00 0.00 C ATOM 634 O ALA A 42 -9.404 5.654 12.138 1.00 0.00 O ATOM 635 CB ALA A 42 -8.367 2.992 13.709 1.00 0.00 C ATOM 0 H ALA A 42 -10.613 3.601 11.903 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.007 3.892 14.748 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.608 3.434 14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.611 1.992 14.067 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.985 2.929 12.690 1.00 0.00 H new ATOM 641 N PRO A 43 -8.853 6.105 14.275 1.00 0.00 N ATOM 642 CA PRO A 43 -8.493 7.504 14.026 1.00 0.00 C ATOM 643 C PRO A 43 -7.572 7.659 12.820 1.00 0.00 C ATOM 644 O PRO A 43 -6.351 7.567 12.943 1.00 0.00 O ATOM 645 CB PRO A 43 -7.768 7.917 15.309 1.00 0.00 C ATOM 646 CG PRO A 43 -8.318 7.018 16.361 1.00 0.00 C ATOM 647 CD PRO A 43 -8.686 5.731 15.690 1.00 0.00 C ATOM 0 HA PRO A 43 -9.366 8.116 13.798 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.689 7.797 15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.952 8.965 15.548 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.581 6.847 17.145 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.190 7.468 16.836 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.908 4.978 15.815 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.604 5.313 16.104 1.00 0.00 H new ATOM 655 N ALA A 44 -8.166 7.895 11.655 1.00 0.00 N ATOM 656 CA ALA A 44 -7.399 8.066 10.427 1.00 0.00 C ATOM 657 C ALA A 44 -7.546 9.482 9.880 1.00 0.00 C ATOM 658 O ALA A 44 -8.627 10.069 9.931 1.00 0.00 O ATOM 659 CB ALA A 44 -7.837 7.047 9.385 1.00 0.00 C ATOM 0 H ALA A 44 -9.176 7.972 11.536 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.347 7.902 10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.256 7.186 8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.673 6.040 9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.896 7.184 9.165 1.00 0.00 H new ATOM 665 N THR A 45 -6.451 10.026 9.357 1.00 0.00 N ATOM 666 CA THR A 45 -6.458 11.374 8.803 1.00 0.00 C ATOM 667 C THR A 45 -5.900 11.387 7.384 1.00 0.00 C ATOM 668 O THR A 45 -4.684 11.378 7.184 1.00 0.00 O ATOM 669 CB THR A 45 -5.639 12.344 9.674 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.243 12.472 10.966 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.541 13.712 9.016 1.00 0.00 C ATOM 0 H THR A 45 -5.549 9.553 9.306 1.00 0.00 H new ATOM 0 HA THR A 45 -7.497 11.704 8.785 1.00 0.00 H new ATOM 0 HB THR A 45 -4.633 11.938 9.783 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.715 13.089 11.514 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.958 14.380 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.053 13.615 8.046 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.541 14.123 8.880 1.00 0.00 H new ATOM 679 N LEU A 46 -6.793 11.410 6.402 1.00 0.00 N ATOM 680 CA LEU A 46 -6.389 11.426 5.000 1.00 0.00 C ATOM 681 C LEU A 46 -6.657 12.790 4.372 1.00 0.00 C ATOM 682 O LEU A 46 -7.693 13.405 4.621 1.00 0.00 O ATOM 683 CB LEU A 46 -7.133 10.338 4.222 1.00 0.00 C ATOM 684 CG LEU A 46 -6.468 9.865 2.929 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.722 8.381 2.711 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.972 10.674 1.743 1.00 0.00 C ATOM 0 H LEU A 46 -7.802 11.418 6.550 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.318 11.229 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.264 9.476 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.129 10.709 3.980 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.393 10.020 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.241 8.062 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.312 7.815 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.795 8.202 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.488 10.324 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.051 10.551 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.738 11.728 1.896 1.00 0.00 H new ATOM 698 N GLU A 47 -5.717 13.254 3.554 1.00 0.00 N ATOM 699 CA GLU A 47 -5.853 14.544 2.889 1.00 0.00 C ATOM 700 C GLU A 47 -5.564 14.420 1.396 1.00 0.00 C ATOM 701 O GLU A 47 -4.409 14.462 0.971 1.00 0.00 O ATOM 702 CB GLU A 47 -4.909 15.570 3.519 1.00 0.00 C ATOM 703 CG GLU A 47 -5.251 15.907 4.961 1.00 0.00 C ATOM 704 CD GLU A 47 -6.468 16.804 5.077 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.520 16.454 4.502 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.369 17.855 5.743 1.00 0.00 O ATOM 0 H GLU A 47 -4.854 12.756 3.336 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.882 14.882 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.889 15.187 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.932 16.484 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.430 14.984 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.397 16.397 5.428 1.00 0.00 H new ATOM 713 N ALA A 48 -6.621 14.266 0.605 1.00 0.00 N ATOM 714 CA ALA A 48 -6.481 14.137 -0.840 1.00 0.00 C ATOM 715 C ALA A 48 -5.844 15.384 -1.444 1.00 0.00 C ATOM 716 O ALA A 48 -6.529 16.369 -1.723 1.00 0.00 O ATOM 717 CB ALA A 48 -7.836 13.871 -1.480 1.00 0.00 C ATOM 0 H ALA A 48 -7.583 14.228 0.941 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.824 13.291 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.716 13.777 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.253 12.947 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.511 14.698 -1.261 1.00 0.00 H new ATOM 723 N ASP A 49 -4.532 15.336 -1.642 1.00 0.00 N ATOM 724 CA ASP A 49 -3.802 16.462 -2.213 1.00 0.00 C ATOM 725 C ASP A 49 -2.339 16.100 -2.448 1.00 0.00 C ATOM 726 O ASP A 49 -1.751 15.329 -1.689 1.00 0.00 O ATOM 727 CB ASP A 49 -3.898 17.679 -1.291 1.00 0.00 C ATOM 728 CG ASP A 49 -3.850 18.988 -2.053 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.783 19.251 -2.841 1.00 0.00 O ATOM 730 OD2 ASP A 49 -2.879 19.751 -1.862 1.00 0.00 O ATOM 0 H ASP A 49 -3.951 14.529 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.255 16.707 -3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.826 17.627 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.080 17.651 -0.571 1.00 0.00 H new ATOM 735 N ARG A 50 -1.758 16.660 -3.503 1.00 0.00 N ATOM 736 CA ARG A 50 -0.365 16.394 -3.839 1.00 0.00 C ATOM 737 C ARG A 50 0.559 16.813 -2.699 1.00 0.00 C ATOM 738 O ARG A 50 0.893 17.988 -2.556 1.00 0.00 O ATOM 739 CB ARG A 50 0.023 17.133 -5.121 1.00 0.00 C ATOM 740 CG ARG A 50 -0.262 16.344 -6.389 1.00 0.00 C ATOM 741 CD ARG A 50 0.566 16.853 -7.559 1.00 0.00 C ATOM 742 NE ARG A 50 -0.113 16.653 -8.837 1.00 0.00 N ATOM 743 CZ ARG A 50 0.519 16.604 -10.005 1.00 0.00 C ATOM 744 NH1 ARG A 50 1.837 16.740 -10.055 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.168 16.419 -11.125 1.00 0.00 N ATOM 0 H ARG A 50 -2.230 17.301 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.255 15.321 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.517 18.079 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.085 17.374 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.045 15.289 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.322 16.416 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.775 17.914 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.527 16.339 -7.574 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.127 16.545 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.368 16.883 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.320 16.702 -10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.182 16.314 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.318 16.382 -12.021 1.00 0.00 H new ATOM 759 N GLY A 51 0.968 15.841 -1.888 1.00 0.00 N ATOM 760 CA GLY A 51 1.848 16.129 -0.771 1.00 0.00 C ATOM 761 C GLY A 51 1.141 16.026 0.566 1.00 0.00 C ATOM 762 O GLY A 51 1.753 16.213 1.616 1.00 0.00 O ATOM 0 H GLY A 51 0.705 14.860 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.690 15.437 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.258 17.132 -0.885 1.00 0.00 H new ATOM 766 N GLY A 52 -0.155 15.730 0.527 1.00 0.00 N ATOM 767 CA GLY A 52 -0.926 15.610 1.751 1.00 0.00 C ATOM 768 C GLY A 52 -0.430 14.487 2.640 1.00 0.00 C ATOM 769 O GLY A 52 0.518 13.783 2.294 1.00 0.00 O ATOM 0 H GLY A 52 -0.684 15.571 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.880 16.551 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.973 15.437 1.502 1.00 0.00 H new ATOM 773 N LYS A 53 -1.073 14.319 3.791 1.00 0.00 N ATOM 774 CA LYS A 53 -0.693 13.273 4.734 1.00 0.00 C ATOM 775 C LYS A 53 -1.870 12.347 5.022 1.00 0.00 C ATOM 776 O LYS A 53 -2.982 12.804 5.289 1.00 0.00 O ATOM 777 CB LYS A 53 -0.187 13.894 6.038 1.00 0.00 C ATOM 778 CG LYS A 53 1.312 14.138 6.055 1.00 0.00 C ATOM 779 CD LYS A 53 1.734 15.093 4.951 1.00 0.00 C ATOM 780 CE LYS A 53 3.098 15.703 5.234 1.00 0.00 C ATOM 781 NZ LYS A 53 2.994 16.924 6.081 1.00 0.00 N ATOM 0 H LYS A 53 -1.860 14.894 4.093 1.00 0.00 H new ATOM 0 HA LYS A 53 0.107 12.685 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.702 14.840 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.449 13.238 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.604 14.547 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.837 13.190 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.762 14.562 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.993 15.886 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.729 14.967 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.586 15.955 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.944 17.310 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.413 17.636 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.552 16.679 6.990 1.00 0.00 H new ATOM 795 N PHE A 54 -1.618 11.043 4.969 1.00 0.00 N ATOM 796 CA PHE A 54 -2.657 10.052 5.225 1.00 0.00 C ATOM 797 C PHE A 54 -2.267 9.144 6.387 1.00 0.00 C ATOM 798 O PHE A 54 -1.280 8.411 6.313 1.00 0.00 O ATOM 799 CB PHE A 54 -2.912 9.214 3.970 1.00 0.00 C ATOM 800 CG PHE A 54 -1.863 8.167 3.725 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.938 6.933 4.351 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.802 8.418 2.870 1.00 0.00 C ATOM 803 CE1 PHE A 54 -0.974 5.967 4.127 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.164 7.456 2.643 1.00 0.00 C ATOM 805 CZ PHE A 54 0.079 6.230 3.273 1.00 0.00 C ATOM 0 H PHE A 54 -0.703 10.648 4.751 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.572 10.581 5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.884 8.729 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.963 9.876 3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.758 6.723 5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.729 9.375 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.045 5.008 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.985 7.663 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.835 5.478 3.098 1.00 0.00 H new ATOM 815 N HIS A 55 -3.050 9.197 7.460 1.00 0.00 N ATOM 816 CA HIS A 55 -2.787 8.379 8.639 1.00 0.00 C ATOM 817 C HIS A 55 -3.950 7.429 8.911 1.00 0.00 C ATOM 818 O HIS A 55 -5.114 7.818 8.824 1.00 0.00 O ATOM 819 CB HIS A 55 -2.544 9.268 9.859 1.00 0.00 C ATOM 820 CG HIS A 55 -1.517 8.723 10.802 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.007 7.445 10.703 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.903 9.290 11.867 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.125 7.250 11.667 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.043 8.354 12.387 1.00 0.00 N ATOM 0 H HIS A 55 -3.871 9.797 7.537 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.893 7.786 8.447 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.228 10.255 9.522 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.484 9.400 10.395 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.270 6.758 9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.060 10.292 12.239 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.434 6.342 11.837 1.00 0.00 H new ATOM 833 N MET A 56 -3.625 6.183 9.239 1.00 0.00 N ATOM 834 CA MET A 56 -4.643 5.178 9.523 1.00 0.00 C ATOM 835 C MET A 56 -4.169 4.216 10.608 1.00 0.00 C ATOM 836 O MET A 56 -3.041 4.316 11.091 1.00 0.00 O ATOM 837 CB MET A 56 -4.992 4.401 8.253 1.00 0.00 C ATOM 838 CG MET A 56 -3.862 4.357 7.237 1.00 0.00 C ATOM 839 SD MET A 56 -3.792 2.793 6.343 1.00 0.00 S ATOM 840 CE MET A 56 -5.408 2.772 5.571 1.00 0.00 C ATOM 0 H MET A 56 -2.666 5.845 9.315 1.00 0.00 H new ATOM 0 HA MET A 56 -5.535 5.692 9.882 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.265 3.381 8.524 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.869 4.853 7.790 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.987 5.173 6.525 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.913 4.522 7.747 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.307 2.488 4.523 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.046 2.051 6.082 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.856 3.764 5.637 1.00 0.00 H new ATOM 850 N VAL A 57 -5.037 3.284 10.987 1.00 0.00 N ATOM 851 CA VAL A 57 -4.707 2.303 12.014 1.00 0.00 C ATOM 852 C VAL A 57 -4.374 2.984 13.337 1.00 0.00 C ATOM 853 O VAL A 57 -3.314 2.750 13.918 1.00 0.00 O ATOM 854 CB VAL A 57 -3.516 1.424 11.588 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.380 0.224 12.513 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.674 0.978 10.142 1.00 0.00 C ATOM 0 H VAL A 57 -5.975 3.187 10.598 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.586 1.672 12.144 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.604 2.016 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.533 -0.385 12.196 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.217 0.568 13.534 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.292 -0.372 12.472 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.824 0.358 9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.594 0.403 10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.718 1.853 9.494 1.00 0.00 H new ATOM 866 N ASP A 58 -5.286 3.827 13.808 1.00 0.00 N ATOM 867 CA ASP A 58 -5.091 4.541 15.064 1.00 0.00 C ATOM 868 C ASP A 58 -3.797 5.349 15.035 1.00 0.00 C ATOM 869 O ASP A 58 -3.209 5.638 16.076 1.00 0.00 O ATOM 870 CB ASP A 58 -5.066 3.558 16.236 1.00 0.00 C ATOM 871 CG ASP A 58 -6.199 2.553 16.172 1.00 0.00 C ATOM 872 OD1 ASP A 58 -6.035 1.518 15.494 1.00 0.00 O ATOM 873 OD2 ASP A 58 -7.250 2.802 16.800 1.00 0.00 O ATOM 0 H ASP A 58 -6.168 4.033 13.339 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.926 5.230 15.195 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.114 3.028 16.242 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.128 4.112 17.173 1.00 0.00 H new ATOM 878 N GLY A 59 -3.358 5.710 13.832 1.00 0.00 N ATOM 879 CA GLY A 59 -2.136 6.479 13.689 1.00 0.00 C ATOM 880 C GLY A 59 -0.897 5.607 13.698 1.00 0.00 C ATOM 881 O GLY A 59 0.153 6.013 14.193 1.00 0.00 O ATOM 0 H GLY A 59 -3.827 5.483 12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.173 7.043 12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.071 7.206 14.499 1.00 0.00 H new ATOM 885 N ASN A 60 -1.019 4.402 13.148 1.00 0.00 N ATOM 886 CA ASN A 60 0.100 3.469 13.096 1.00 0.00 C ATOM 887 C ASN A 60 0.717 3.436 11.702 1.00 0.00 C ATOM 888 O ASN A 60 1.835 2.954 11.516 1.00 0.00 O ATOM 889 CB ASN A 60 -0.361 2.065 13.495 1.00 0.00 C ATOM 890 CG ASN A 60 -0.214 1.809 14.982 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.658 1.052 15.410 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.069 2.439 15.779 1.00 0.00 N ATOM 0 H ASN A 60 -1.881 4.050 12.733 1.00 0.00 H new ATOM 0 HA ASN A 60 0.858 3.810 13.801 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.404 1.933 13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.218 1.325 12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.019 2.305 16.789 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.776 3.057 15.381 1.00 0.00 H new ATOM 899 N VAL A 61 -0.018 3.955 10.723 1.00 0.00 N ATOM 900 CA VAL A 61 0.457 3.987 9.345 1.00 0.00 C ATOM 901 C VAL A 61 0.257 5.367 8.727 1.00 0.00 C ATOM 902 O VAL A 61 -0.873 5.828 8.566 1.00 0.00 O ATOM 903 CB VAL A 61 -0.264 2.939 8.478 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.174 3.054 7.025 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.006 1.538 9.011 1.00 0.00 C ATOM 0 H VAL A 61 -0.945 4.359 10.859 1.00 0.00 H new ATOM 0 HA VAL A 61 1.522 3.755 9.372 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.336 3.130 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.346 2.305 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.067 4.049 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.249 2.891 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.523 0.810 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.065 1.334 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.374 1.464 10.034 1.00 0.00 H new ATOM 915 N SER A 62 1.362 6.020 8.382 1.00 0.00 N ATOM 916 CA SER A 62 1.308 7.349 7.784 1.00 0.00 C ATOM 917 C SER A 62 2.018 7.367 6.434 1.00 0.00 C ATOM 918 O SER A 62 2.621 6.376 6.024 1.00 0.00 O ATOM 919 CB SER A 62 1.943 8.379 8.720 1.00 0.00 C ATOM 920 OG SER A 62 3.331 8.139 8.876 1.00 0.00 O ATOM 0 H SER A 62 2.305 5.651 8.506 1.00 0.00 H new ATOM 0 HA SER A 62 0.261 7.607 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.787 9.382 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.453 8.342 9.693 1.00 0.00 H new ATOM 0 HG SER A 62 3.714 8.812 9.477 1.00 0.00 H new ATOM 926 N GLY A 63 1.941 8.502 5.746 1.00 0.00 N ATOM 927 CA GLY A 63 2.579 8.629 4.449 1.00 0.00 C ATOM 928 C GLY A 63 2.384 10.002 3.838 1.00 0.00 C ATOM 929 O GLY A 63 2.015 10.949 4.532 1.00 0.00 O ATOM 0 H GLY A 63 1.448 9.336 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.646 8.429 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.176 7.874 3.774 1.00 0.00 H new ATOM 933 N GLU A 64 2.635 10.111 2.537 1.00 0.00 N ATOM 934 CA GLU A 64 2.487 11.380 1.835 1.00 0.00 C ATOM 935 C GLU A 64 2.174 11.152 0.359 1.00 0.00 C ATOM 936 O GLU A 64 2.752 10.273 -0.281 1.00 0.00 O ATOM 937 CB GLU A 64 3.760 12.217 1.974 1.00 0.00 C ATOM 938 CG GLU A 64 4.766 11.986 0.858 1.00 0.00 C ATOM 939 CD GLU A 64 5.951 12.928 0.936 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.321 13.323 2.062 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.508 13.271 -0.128 1.00 0.00 O ATOM 0 H GLU A 64 2.942 9.336 1.949 1.00 0.00 H new ATOM 0 HA GLU A 64 1.655 11.920 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.490 13.273 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.232 11.989 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.122 10.957 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.270 12.111 -0.105 1.00 0.00 H new ATOM 948 N PHE A 65 1.255 11.949 -0.175 1.00 0.00 N ATOM 949 CA PHE A 65 0.863 11.834 -1.575 1.00 0.00 C ATOM 950 C PHE A 65 1.879 12.520 -2.483 1.00 0.00 C ATOM 951 O PHE A 65 2.191 13.698 -2.307 1.00 0.00 O ATOM 952 CB PHE A 65 -0.524 12.444 -1.790 1.00 0.00 C ATOM 953 CG PHE A 65 -1.647 11.558 -1.333 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.507 10.767 -0.204 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.842 11.515 -2.033 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.539 9.951 0.220 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.877 10.701 -1.614 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.725 9.917 -0.487 1.00 0.00 C ATOM 0 H PHE A 65 0.767 12.682 0.340 1.00 0.00 H new ATOM 0 HA PHE A 65 0.830 10.775 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.581 13.393 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.654 12.665 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.581 10.788 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.966 12.124 -2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.418 9.341 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.804 10.678 -2.167 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.532 9.279 -0.159 1.00 0.00 H new ATOM 968 N THR A 66 2.395 11.773 -3.454 1.00 0.00 N ATOM 969 CA THR A 66 3.377 12.306 -4.389 1.00 0.00 C ATOM 970 C THR A 66 2.752 12.568 -5.754 1.00 0.00 C ATOM 971 O THR A 66 3.103 13.533 -6.434 1.00 0.00 O ATOM 972 CB THR A 66 4.570 11.347 -4.559 1.00 0.00 C ATOM 973 OG1 THR A 66 4.099 10.028 -4.856 1.00 0.00 O ATOM 974 CG2 THR A 66 5.423 11.314 -3.300 1.00 0.00 C ATOM 0 H THR A 66 2.149 10.796 -3.613 1.00 0.00 H new ATOM 0 HA THR A 66 3.734 13.247 -3.969 1.00 0.00 H new ATOM 0 HB THR A 66 5.183 11.709 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.121 10.035 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.259 10.630 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.804 12.314 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.818 10.975 -2.459 1.00 0.00 H new ATOM 982 N ASP A 67 1.824 11.704 -6.150 1.00 0.00 N ATOM 983 CA ASP A 67 1.148 11.844 -7.435 1.00 0.00 C ATOM 984 C ASP A 67 -0.321 11.448 -7.321 1.00 0.00 C ATOM 985 O ASP A 67 -0.675 10.542 -6.565 1.00 0.00 O ATOM 986 CB ASP A 67 1.839 10.985 -8.495 1.00 0.00 C ATOM 987 CG ASP A 67 1.715 11.573 -9.887 1.00 0.00 C ATOM 988 OD1 ASP A 67 2.421 12.560 -10.180 1.00 0.00 O ATOM 989 OD2 ASP A 67 0.911 11.044 -10.684 1.00 0.00 O ATOM 0 H ASP A 67 1.523 10.900 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 67 1.202 12.891 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.894 10.878 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.406 9.985 -8.486 1.00 0.00 H new ATOM 994 N LEU A 68 -1.173 12.134 -8.075 1.00 0.00 N ATOM 995 CA LEU A 68 -2.605 11.855 -8.059 1.00 0.00 C ATOM 996 C LEU A 68 -3.210 12.030 -9.449 1.00 0.00 C ATOM 997 O LEU A 68 -3.360 13.151 -9.935 1.00 0.00 O ATOM 998 CB LEU A 68 -3.312 12.776 -7.063 1.00 0.00 C ATOM 999 CG LEU A 68 -2.953 12.575 -5.591 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.501 13.715 -4.747 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.480 11.237 -5.091 1.00 0.00 C ATOM 0 H LEU A 68 -0.897 12.887 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.745 10.819 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.090 13.808 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.388 12.642 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.867 12.572 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.235 13.554 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.075 14.658 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.586 13.751 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.215 11.111 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.564 11.210 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.038 10.430 -5.676 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.557 10.914 -10.082 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.149 10.944 -11.414 1.00 0.00 C ATOM 1015 C VAL A 69 -5.631 10.592 -11.365 1.00 0.00 C ATOM 1016 O VAL A 69 -6.057 9.689 -10.645 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.433 9.969 -12.368 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -3.888 10.194 -13.802 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -1.924 10.119 -12.249 1.00 0.00 C ATOM 0 H VAL A 69 -3.438 9.978 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.032 11.961 -11.789 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.697 8.950 -12.084 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.372 9.496 -14.461 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.963 10.031 -13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.655 11.216 -14.101 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.434 9.423 -12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.638 11.139 -12.506 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.616 9.903 -11.226 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.439 11.322 -12.149 1.00 0.00 N ATOM 1030 CA PRO A 70 -7.887 11.105 -12.213 1.00 0.00 C ATOM 1031 C PRO A 70 -8.246 9.634 -12.390 1.00 0.00 C ATOM 1032 O PRO A 70 -7.999 9.048 -13.444 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.312 11.911 -13.444 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.279 12.976 -13.574 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.000 12.415 -13.033 1.00 0.00 C ATOM 0 HA PRO A 70 -8.386 11.410 -11.293 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.348 11.284 -14.335 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.307 12.338 -13.314 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.160 13.272 -14.616 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.573 13.868 -13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.355 12.048 -13.832 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.433 13.168 -12.486 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.829 9.043 -11.352 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.221 7.639 -11.394 1.00 0.00 C ATOM 1045 C GLU A 71 -8.290 6.841 -12.303 1.00 0.00 C ATOM 1046 O GLU A 71 -8.740 6.084 -13.162 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.665 7.504 -11.881 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.647 8.384 -11.127 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.035 8.367 -11.737 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.306 7.477 -12.569 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.850 9.244 -11.382 1.00 0.00 O ATOM 0 H GLU A 71 -9.040 9.514 -10.472 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.147 7.237 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.707 7.754 -12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.976 6.464 -11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.706 8.051 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.274 9.408 -11.112 1.00 0.00 H new ATOM 1058 N LYS A 72 -6.987 7.017 -12.106 1.00 0.00 N ATOM 1059 CA LYS A 72 -5.991 6.315 -12.906 1.00 0.00 C ATOM 1060 C LYS A 72 -5.001 5.573 -12.013 1.00 0.00 C ATOM 1061 O LYS A 72 -4.827 4.360 -12.136 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.242 7.301 -13.806 1.00 0.00 C ATOM 1063 CG LYS A 72 -5.973 7.620 -15.098 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.006 7.789 -16.258 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.527 6.444 -16.785 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.223 6.559 -17.495 1.00 0.00 N ATOM 0 H LYS A 72 -6.597 7.640 -11.399 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.510 5.586 -13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.073 8.227 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.262 6.889 -14.045 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.679 6.821 -15.325 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.555 8.533 -14.972 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.492 8.343 -17.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.149 8.381 -15.936 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.429 5.743 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.275 6.032 -17.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.931 5.622 -17.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.323 7.208 -18.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.503 6.928 -16.841 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.356 6.309 -11.113 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.386 5.720 -10.197 1.00 0.00 C ATOM 1082 C HIS A 73 -3.049 6.687 -9.066 1.00 0.00 C ATOM 1083 O HIS A 73 -3.319 7.884 -9.160 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.112 5.334 -10.950 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.009 6.337 -10.814 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.046 7.688 -10.731 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.323 5.988 -10.753 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.251 8.125 -10.620 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.058 7.079 -10.635 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.488 7.314 -10.999 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.830 4.823 -9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.762 4.369 -10.584 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.348 5.207 -12.006 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.706 4.979 -10.795 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.561 9.156 -10.534 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.075 7.109 -10.567 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.460 6.159 -7.999 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.086 6.975 -6.850 1.00 0.00 C ATOM 1100 C ILE A 74 -0.720 6.571 -6.309 1.00 0.00 C ATOM 1101 O ILE A 74 -0.473 5.397 -6.030 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.127 6.867 -5.720 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.508 7.289 -6.226 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.708 7.719 -4.531 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.630 6.959 -5.266 1.00 0.00 C ATOM 0 H ILE A 74 -2.231 5.169 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.045 8.007 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.183 5.828 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.505 8.363 -6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.702 6.800 -7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.454 7.632 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.743 7.375 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.627 8.761 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.579 7.286 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.660 5.883 -5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.460 7.470 -4.318 1.00 0.00 H new ATOM 1117 N VAL A 75 0.166 7.551 -6.161 1.00 0.00 N ATOM 1118 CA VAL A 75 1.508 7.298 -5.650 1.00 0.00 C ATOM 1119 C VAL A 75 1.752 8.054 -4.349 1.00 0.00 C ATOM 1120 O VAL A 75 1.701 9.283 -4.315 1.00 0.00 O ATOM 1121 CB VAL A 75 2.584 7.701 -6.675 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.946 7.168 -6.257 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.211 7.203 -8.063 1.00 0.00 C ATOM 0 H VAL A 75 -0.022 8.528 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 75 1.579 6.227 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 75 2.640 8.789 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.694 7.463 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.214 7.578 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.908 6.080 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.983 7.497 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.125 6.116 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.257 7.638 -8.362 1.00 0.00 H new ATOM 1133 N MET A 76 2.019 7.311 -3.280 1.00 0.00 N ATOM 1134 CA MET A 76 2.273 7.913 -1.976 1.00 0.00 C ATOM 1135 C MET A 76 3.246 7.062 -1.165 1.00 0.00 C ATOM 1136 O MET A 76 3.595 5.951 -1.563 1.00 0.00 O ATOM 1137 CB MET A 76 0.962 8.083 -1.205 1.00 0.00 C ATOM 1138 CG MET A 76 0.427 6.786 -0.621 1.00 0.00 C ATOM 1139 SD MET A 76 -1.341 6.856 -0.278 1.00 0.00 S ATOM 1140 CE MET A 76 -1.854 5.223 -0.807 1.00 0.00 C ATOM 0 H MET A 76 2.065 6.292 -3.291 1.00 0.00 H new ATOM 0 HA MET A 76 2.722 8.893 -2.137 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.115 8.799 -0.398 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.211 8.509 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.626 5.970 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.963 6.559 0.300 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.928 5.113 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.620 5.093 -1.864 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.327 4.469 -0.223 1.00 0.00 H new ATOM 1150 N LYS A 77 3.681 7.592 -0.027 1.00 0.00 N ATOM 1151 CA LYS A 77 4.613 6.882 0.840 1.00 0.00 C ATOM 1152 C LYS A 77 3.866 6.056 1.882 1.00 0.00 C ATOM 1153 O LYS A 77 2.745 6.391 2.266 1.00 0.00 O ATOM 1154 CB LYS A 77 5.550 7.872 1.536 1.00 0.00 C ATOM 1155 CG LYS A 77 6.677 8.370 0.647 1.00 0.00 C ATOM 1156 CD LYS A 77 7.766 9.053 1.458 1.00 0.00 C ATOM 1157 CE LYS A 77 7.488 10.539 1.624 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.690 11.278 2.099 1.00 0.00 N ATOM 0 H LYS A 77 3.403 8.511 0.316 1.00 0.00 H new ATOM 0 HA LYS A 77 5.203 6.206 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.969 8.726 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.978 7.396 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.104 7.532 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.279 9.068 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.839 8.584 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.729 8.915 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.158 10.955 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.672 10.679 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.434 12.266 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.050 10.833 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.426 11.251 1.365 1.00 0.00 H new ATOM 1172 N TRP A 78 4.493 4.977 2.336 1.00 0.00 N ATOM 1173 CA TRP A 78 3.887 4.105 3.335 1.00 0.00 C ATOM 1174 C TRP A 78 4.919 3.655 4.364 1.00 0.00 C ATOM 1175 O TRP A 78 6.068 3.377 4.022 1.00 0.00 O ATOM 1176 CB TRP A 78 3.255 2.885 2.662 1.00 0.00 C ATOM 1177 CG TRP A 78 2.186 2.237 3.488 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.837 2.413 3.367 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.377 1.312 4.564 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.178 1.652 4.302 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.100 0.967 5.049 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.502 0.741 5.164 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.920 0.078 6.105 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.322 -0.142 6.212 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.039 -0.467 6.674 1.00 0.00 C ATOM 0 H TRP A 78 5.421 4.685 2.028 1.00 0.00 H new ATOM 0 HA TRP A 78 3.110 4.670 3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.831 3.187 1.704 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.034 2.152 2.449 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.359 3.056 2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.834 1.605 4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.495 0.985 4.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.068 -0.173 6.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.185 -0.589 6.683 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.932 -1.161 7.495 1.00 0.00 H new ATOM 1196 N ARG A 79 4.501 3.584 5.623 1.00 0.00 N ATOM 1197 CA ARG A 79 5.391 3.169 6.701 1.00 0.00 C ATOM 1198 C ARG A 79 4.608 2.919 7.987 1.00 0.00 C ATOM 1199 O ARG A 79 3.443 3.302 8.101 1.00 0.00 O ATOM 1200 CB ARG A 79 6.464 4.231 6.943 1.00 0.00 C ATOM 1201 CG ARG A 79 5.906 5.567 7.405 1.00 0.00 C ATOM 1202 CD ARG A 79 6.894 6.308 8.292 1.00 0.00 C ATOM 1203 NE ARG A 79 7.068 5.651 9.585 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.503 6.274 10.674 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.806 7.564 10.626 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.635 5.608 11.814 1.00 0.00 N ATOM 0 H ARG A 79 3.552 3.808 5.922 1.00 0.00 H new ATOM 0 HA ARG A 79 5.872 2.238 6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.166 3.862 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.028 4.381 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.664 6.181 6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.976 5.405 7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.857 6.373 7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.546 7.329 8.448 1.00 0.00 H new ATOM 0 HE ARG A 79 6.843 4.659 9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.705 8.079 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.140 8.041 11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.402 4.616 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.969 6.088 12.649 1.00 0.00 H new ATOM 1220 N PHE A 80 5.255 2.274 8.952 1.00 0.00 N ATOM 1221 CA PHE A 80 4.619 1.972 10.229 1.00 0.00 C ATOM 1222 C PHE A 80 5.050 2.969 11.301 1.00 0.00 C ATOM 1223 O PHE A 80 6.038 3.686 11.137 1.00 0.00 O ATOM 1224 CB PHE A 80 4.965 0.549 10.671 1.00 0.00 C ATOM 1225 CG PHE A 80 3.941 -0.471 10.265 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.589 -0.221 10.436 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.329 -1.681 9.712 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.643 -1.157 10.063 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.388 -2.621 9.337 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.044 -2.360 9.514 1.00 0.00 C ATOM 0 H PHE A 80 6.219 1.950 8.874 1.00 0.00 H new ATOM 0 HA PHE A 80 3.540 2.052 10.097 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.930 0.271 10.249 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.074 0.531 11.755 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.270 0.717 10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.379 -1.892 9.572 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.592 -0.949 10.200 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.704 -3.559 8.906 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.307 -3.095 9.224 1.00 0.00 H new ATOM 1240 N LYS A 81 4.302 3.009 12.398 1.00 0.00 N ATOM 1241 CA LYS A 81 4.606 3.916 13.498 1.00 0.00 C ATOM 1242 C LYS A 81 5.820 3.432 14.284 1.00 0.00 C ATOM 1243 O LYS A 81 6.279 4.100 15.210 1.00 0.00 O ATOM 1244 CB LYS A 81 3.398 4.042 14.430 1.00 0.00 C ATOM 1245 CG LYS A 81 3.732 4.655 15.779 1.00 0.00 C ATOM 1246 CD LYS A 81 4.163 3.597 16.781 1.00 0.00 C ATOM 1247 CE LYS A 81 2.973 3.033 17.543 1.00 0.00 C ATOM 1248 NZ LYS A 81 2.422 4.017 18.516 1.00 0.00 N ATOM 0 H LYS A 81 3.481 2.424 12.549 1.00 0.00 H new ATOM 0 HA LYS A 81 4.836 4.894 13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.636 4.650 13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.966 3.054 14.586 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.528 5.389 15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.862 5.188 16.163 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.679 2.790 16.260 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.875 4.029 17.484 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.194 2.744 16.838 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.275 2.129 18.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.847 3.519 19.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.204 4.512 18.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.829 4.708 18.013 1.00 0.00 H new ATOM 1262 N SER A 82 6.336 2.266 13.908 1.00 0.00 N ATOM 1263 CA SER A 82 7.495 1.691 14.580 1.00 0.00 C ATOM 1264 C SER A 82 8.727 1.749 13.682 1.00 0.00 C ATOM 1265 O SER A 82 9.860 1.691 14.160 1.00 0.00 O ATOM 1266 CB SER A 82 7.212 0.243 14.983 1.00 0.00 C ATOM 1267 OG SER A 82 6.097 0.165 15.855 1.00 0.00 O ATOM 0 H SER A 82 5.970 1.701 13.142 1.00 0.00 H new ATOM 0 HA SER A 82 7.692 2.278 15.477 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.023 -0.356 14.092 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.090 -0.180 15.471 1.00 0.00 H new ATOM 0 HG SER A 82 6.122 -0.685 16.343 1.00 0.00 H new ATOM 1273 N TRP A 83 8.497 1.865 12.379 1.00 0.00 N ATOM 1274 CA TRP A 83 9.587 1.931 11.413 1.00 0.00 C ATOM 1275 C TRP A 83 10.575 3.033 11.782 1.00 0.00 C ATOM 1276 O TRP A 83 10.255 3.964 12.521 1.00 0.00 O ATOM 1277 CB TRP A 83 9.036 2.172 10.007 1.00 0.00 C ATOM 1278 CG TRP A 83 8.581 0.917 9.324 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.390 -0.306 9.900 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.263 0.764 7.937 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.972 -1.211 8.955 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.885 -0.579 7.742 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.257 1.631 6.841 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.508 -1.073 6.496 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.884 1.139 5.605 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.512 -0.202 5.440 1.00 0.00 C ATOM 0 H TRP A 83 7.565 1.915 11.967 1.00 0.00 H new ATOM 0 HA TRP A 83 10.113 0.977 11.430 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.200 2.868 10.067 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.805 2.649 9.400 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.545 -0.529 10.945 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.761 -2.194 9.128 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.539 2.667 6.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.223 -2.107 6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.879 1.800 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.223 -0.555 4.461 1.00 0.00 H new ATOM 1333 N HIS A 87 12.209 6.719 6.902 1.00 0.00 N ATOM 1334 CA HIS A 87 12.138 5.433 6.217 1.00 0.00 C ATOM 1335 C HIS A 87 10.710 5.133 5.771 1.00 0.00 C ATOM 1336 O HIS A 87 9.895 4.641 6.552 1.00 0.00 O ATOM 1337 CB HIS A 87 12.645 4.316 7.129 1.00 0.00 C ATOM 1338 CG HIS A 87 13.060 3.081 6.390 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.376 2.697 6.245 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.323 2.141 5.753 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.431 1.574 5.550 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.198 1.216 5.240 1.00 0.00 N ATOM 0 HA HIS A 87 12.773 5.485 5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.492 4.686 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.862 4.057 7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.247 2.122 5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.331 1.040 5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.938 0.387 4.706 1.00 0.00 H new ATOM 1351 N PHE A 88 10.412 5.434 4.511 1.00 0.00 N ATOM 1352 CA PHE A 88 9.082 5.199 3.963 1.00 0.00 C ATOM 1353 C PHE A 88 9.155 4.317 2.719 1.00 0.00 C ATOM 1354 O PHE A 88 10.236 4.055 2.194 1.00 0.00 O ATOM 1355 CB PHE A 88 8.406 6.528 3.620 1.00 0.00 C ATOM 1356 CG PHE A 88 8.097 7.371 4.824 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.116 7.832 5.643 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.789 7.703 5.137 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.835 8.608 6.752 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.503 8.480 6.244 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.527 8.932 7.053 1.00 0.00 C ATOM 0 H PHE A 88 11.074 5.841 3.851 1.00 0.00 H new ATOM 0 HA PHE A 88 8.491 4.683 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.052 7.092 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.481 6.327 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.141 7.582 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.984 7.351 4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.638 8.961 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.479 8.733 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.305 9.538 7.919 1.00 0.00 H new ATOM 1371 N ALA A 89 7.996 3.862 2.255 1.00 0.00 N ATOM 1372 CA ALA A 89 7.927 3.011 1.074 1.00 0.00 C ATOM 1373 C ALA A 89 7.098 3.666 -0.026 1.00 0.00 C ATOM 1374 O ALA A 89 5.990 4.144 0.217 1.00 0.00 O ATOM 1375 CB ALA A 89 7.348 1.651 1.435 1.00 0.00 C ATOM 0 H ALA A 89 7.092 4.069 2.679 1.00 0.00 H new ATOM 0 HA ALA A 89 8.940 2.873 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.303 1.026 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.982 1.172 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.344 1.779 1.840 1.00 0.00 H new ATOM 1381 N THR A 90 7.642 3.684 -1.239 1.00 0.00 N ATOM 1382 CA THR A 90 6.953 4.282 -2.377 1.00 0.00 C ATOM 1383 C THR A 90 5.885 3.344 -2.927 1.00 0.00 C ATOM 1384 O THR A 90 6.195 2.374 -3.620 1.00 0.00 O ATOM 1385 CB THR A 90 7.939 4.638 -3.506 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.032 5.400 -2.980 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.242 5.432 -4.601 1.00 0.00 C ATOM 0 H THR A 90 8.557 3.292 -1.459 1.00 0.00 H new ATOM 0 HA THR A 90 6.480 5.195 -2.017 1.00 0.00 H new ATOM 0 HB THR A 90 8.317 3.710 -3.935 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.655 5.621 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.957 5.672 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.429 4.839 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.840 6.354 -4.182 1.00 0.00 H new ATOM 1395 N ILE A 91 4.628 3.639 -2.616 1.00 0.00 N ATOM 1396 CA ILE A 91 3.514 2.822 -3.083 1.00 0.00 C ATOM 1397 C ILE A 91 2.775 3.503 -4.229 1.00 0.00 C ATOM 1398 O ILE A 91 2.479 4.697 -4.170 1.00 0.00 O ATOM 1399 CB ILE A 91 2.517 2.528 -1.946 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.071 1.445 -1.019 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.172 2.107 -2.518 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.392 1.814 -0.380 1.00 0.00 C ATOM 0 H ILE A 91 4.355 4.437 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 91 3.938 1.882 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 91 2.374 3.438 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.342 1.241 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.196 0.522 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.478 1.903 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.775 2.908 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.298 1.208 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.725 1.000 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.136 1.989 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.268 2.719 0.214 1.00 0.00 H new ATOM 1414 N THR A 92 2.477 2.736 -5.273 1.00 0.00 N ATOM 1415 CA THR A 92 1.771 3.265 -6.434 1.00 0.00 C ATOM 1416 C THR A 92 0.590 2.378 -6.809 1.00 0.00 C ATOM 1417 O THR A 92 0.758 1.342 -7.454 1.00 0.00 O ATOM 1418 CB THR A 92 2.708 3.395 -7.650 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.726 4.366 -7.382 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.929 3.798 -8.892 1.00 0.00 C ATOM 0 H THR A 92 2.714 1.746 -5.339 1.00 0.00 H new ATOM 0 HA THR A 92 1.406 4.255 -6.159 1.00 0.00 H new ATOM 0 HB THR A 92 3.171 2.425 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.247 4.087 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.611 3.884 -9.738 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.175 3.042 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.442 4.758 -8.720 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.606 2.791 -6.404 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.818 2.034 -6.699 1.00 0.00 C ATOM 1430 C LEU A 93 -2.358 2.388 -8.080 1.00 0.00 C ATOM 1431 O LEU A 93 -2.140 3.492 -8.581 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.884 2.306 -5.636 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.606 1.736 -4.245 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.422 2.472 -3.194 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.907 0.245 -4.209 1.00 0.00 C ATOM 0 H LEU A 93 -0.763 3.646 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.566 0.973 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.011 3.385 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.832 1.901 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.549 1.878 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.211 2.053 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.157 3.529 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.484 2.362 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.703 -0.143 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.956 0.079 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.278 -0.271 -4.934 1.00 0.00 H new ATOM 1447 N THR A 94 -3.067 1.445 -8.693 1.00 0.00 N ATOM 1448 CA THR A 94 -3.640 1.657 -10.016 1.00 0.00 C ATOM 1449 C THR A 94 -5.033 1.047 -10.116 1.00 0.00 C ATOM 1450 O THR A 94 -5.252 -0.096 -9.712 1.00 0.00 O ATOM 1451 CB THR A 94 -2.747 1.055 -11.118 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.372 1.126 -10.727 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.944 1.790 -12.435 1.00 0.00 C ATOM 0 H THR A 94 -3.258 0.526 -8.293 1.00 0.00 H new ATOM 0 HA THR A 94 -3.708 2.735 -10.162 1.00 0.00 H new ATOM 0 HB THR A 94 -3.031 0.012 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.811 0.740 -11.432 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.303 1.348 -13.198 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.986 1.709 -12.744 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.684 2.841 -12.308 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.973 1.814 -10.658 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.346 1.349 -10.811 1.00 0.00 C ATOM 1463 C PHE A 95 -7.633 0.970 -12.261 1.00 0.00 C ATOM 1464 O PHE A 95 -7.492 1.791 -13.167 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.328 2.428 -10.350 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.082 2.902 -8.946 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.967 3.667 -8.644 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.965 2.582 -7.928 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.737 4.103 -7.353 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.742 3.016 -6.635 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.627 3.778 -6.347 1.00 0.00 C ATOM 0 H PHE A 95 -5.809 2.761 -10.999 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.474 0.463 -10.190 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.265 3.279 -11.028 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.343 2.038 -10.421 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.269 3.926 -9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.839 1.986 -8.147 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.863 4.697 -7.131 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.439 2.760 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.451 4.119 -5.338 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.036 -0.279 -12.471 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.344 -0.766 -13.810 1.00 0.00 C ATOM 1483 C ILE A 96 -9.827 -1.094 -13.948 1.00 0.00 C ATOM 1484 O ILE A 96 -10.464 -1.547 -12.997 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.518 -2.019 -14.156 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.028 -1.750 -13.938 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.780 -2.446 -15.593 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.177 -3.001 -13.966 1.00 0.00 C ATOM 0 H ILE A 96 -8.157 -0.971 -11.732 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.085 0.033 -14.504 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.822 -2.831 -13.495 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.675 -1.063 -14.707 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.894 -1.251 -12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.189 -3.333 -15.823 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.839 -2.673 -15.718 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.500 -1.638 -16.269 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.133 -2.734 -13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.504 -3.681 -13.179 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.281 -3.490 -14.934 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.369 -0.865 -15.139 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.777 -1.139 -15.403 1.00 0.00 C ATOM 1502 C ASP A 97 -11.957 -2.534 -15.995 1.00 0.00 C ATOM 1503 O ASP A 97 -11.276 -2.908 -16.950 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.353 -0.089 -16.355 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.633 -0.553 -17.022 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.559 -1.440 -17.898 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.710 -0.029 -16.667 1.00 0.00 O ATOM 0 H ASP A 97 -9.855 -0.491 -15.937 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.315 -1.093 -14.456 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.547 0.830 -15.803 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.614 0.149 -17.120 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.878 -3.300 -15.420 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.149 -4.654 -15.889 1.00 0.00 C ATOM 1514 C LYS A 98 -14.628 -4.830 -16.217 1.00 0.00 C ATOM 1515 O LYS A 98 -15.102 -5.949 -16.406 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.724 -5.676 -14.833 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.308 -5.472 -14.323 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.295 -6.220 -15.174 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.063 -6.601 -14.367 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.207 -7.580 -15.092 1.00 0.00 N ATOM 0 H LYS A 98 -13.450 -3.006 -14.628 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.571 -4.819 -16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.415 -5.625 -13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.808 -6.678 -15.254 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.070 -4.408 -14.323 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.240 -5.814 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.755 -7.119 -15.584 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.000 -5.599 -16.020 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.483 -5.705 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.371 -7.026 -13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.208 -7.400 -14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.460 -8.545 -14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.355 -7.479 -16.116 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.352 -3.717 -16.283 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.777 -3.749 -16.589 1.00 0.00 C ATOM 1536 C ASN A 99 -17.576 -4.285 -15.404 1.00 0.00 C ATOM 1537 O ASN A 99 -18.392 -5.193 -15.552 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.036 -4.613 -17.825 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.231 -4.134 -18.626 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.093 -3.326 -19.545 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.413 -4.630 -18.280 1.00 0.00 N ATOM 0 H ASN A 99 -14.975 -2.782 -16.129 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.102 -2.729 -16.793 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.150 -4.608 -18.461 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.200 -5.645 -17.515 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.253 -4.344 -18.783 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.481 -5.297 -17.512 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.334 -3.715 -14.228 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.038 -4.147 -13.035 1.00 0.00 C ATOM 1550 C GLY A 100 -17.130 -4.231 -11.824 1.00 0.00 C ATOM 1551 O GLY A 100 -17.562 -3.984 -10.699 1.00 0.00 O ATOM 0 H GLY A 100 -16.663 -2.961 -14.080 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.853 -3.454 -12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.488 -5.123 -13.216 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.869 -4.582 -12.055 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.899 -4.700 -10.973 1.00 0.00 C ATOM 1557 C GLU A 101 -13.681 -3.819 -11.235 1.00 0.00 C ATOM 1558 O GLU A 101 -13.503 -3.297 -12.336 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.462 -6.157 -10.807 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.612 -7.148 -10.862 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.190 -8.554 -10.485 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.537 -8.715 -9.432 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.512 -9.494 -11.241 1.00 0.00 O ATOM 0 H GLU A 101 -15.495 -4.789 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.377 -4.364 -10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.744 -6.403 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.945 -6.266 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.403 -6.818 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.032 -7.156 -11.868 1.00 0.00 H new ATOM 1570 N THR A 102 -12.845 -3.657 -10.214 1.00 0.00 N ATOM 1571 CA THR A 102 -11.645 -2.838 -10.332 1.00 0.00 C ATOM 1572 C THR A 102 -10.415 -3.590 -9.835 1.00 0.00 C ATOM 1573 O THR A 102 -10.382 -4.061 -8.699 1.00 0.00 O ATOM 1574 CB THR A 102 -11.782 -1.523 -9.543 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.878 -0.756 -10.055 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.502 -0.705 -9.626 1.00 0.00 C ATOM 0 H THR A 102 -12.977 -4.082 -9.296 1.00 0.00 H new ATOM 0 HA THR A 102 -11.523 -2.607 -11.390 1.00 0.00 H new ATOM 0 HB THR A 102 -11.969 -1.771 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.718 -1.230 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.624 0.219 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.675 -1.280 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.289 -0.468 -10.668 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.406 -3.697 -10.693 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.174 -4.393 -10.339 1.00 0.00 C ATOM 1586 C GLU A 103 -7.150 -3.423 -9.755 1.00 0.00 C ATOM 1587 O GLU A 103 -6.509 -2.665 -10.484 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.586 -5.093 -11.567 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.500 -6.101 -11.230 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.851 -6.693 -12.466 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -5.873 -6.028 -13.523 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -5.322 -7.821 -12.377 1.00 0.00 O ATOM 0 H GLU A 103 -9.417 -3.311 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.414 -5.141 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.387 -5.601 -12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.176 -4.342 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.737 -5.617 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.928 -6.903 -10.629 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.004 -3.452 -8.435 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.059 -2.576 -7.751 1.00 0.00 C ATOM 1601 C LEU A 104 -4.660 -3.184 -7.742 1.00 0.00 C ATOM 1602 O LEU A 104 -4.382 -4.114 -6.983 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.523 -2.314 -6.317 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.682 -1.324 -5.510 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.890 0.094 -6.020 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.024 -1.415 -4.030 1.00 0.00 C ATOM 0 H LEU A 104 -7.528 -4.072 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.020 -1.631 -8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.549 -1.947 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.542 -3.264 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.631 -1.583 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.284 0.784 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.594 0.151 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.942 0.364 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.416 -0.703 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.079 -1.183 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.822 -2.424 -3.671 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.784 -2.653 -8.587 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.413 -3.143 -8.676 1.00 0.00 C ATOM 1620 C CYS A 105 -1.477 -2.297 -7.819 1.00 0.00 C ATOM 1621 O CYS A 105 -0.970 -1.268 -8.267 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.940 -3.136 -10.130 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.450 -4.116 -10.426 1.00 0.00 S ATOM 0 H CYS A 105 -3.998 -1.883 -9.221 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.394 -4.166 -8.301 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.742 -3.514 -10.764 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.751 -2.107 -10.435 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.130 -4.050 -11.684 1.00 0.00 H new ATOM 1629 N MET A 106 -1.254 -2.736 -6.585 1.00 0.00 N ATOM 1630 CA MET A 106 -0.379 -2.018 -5.665 1.00 0.00 C ATOM 1631 C MET A 106 1.085 -2.339 -5.946 1.00 0.00 C ATOM 1632 O MET A 106 1.446 -3.495 -6.160 1.00 0.00 O ATOM 1633 CB MET A 106 -0.723 -2.373 -4.217 1.00 0.00 C ATOM 1634 CG MET A 106 -0.046 -1.477 -3.194 1.00 0.00 C ATOM 1635 SD MET A 106 1.697 -1.877 -2.965 1.00 0.00 S ATOM 1636 CE MET A 106 1.631 -2.820 -1.444 1.00 0.00 C ATOM 0 H MET A 106 -1.667 -3.585 -6.199 1.00 0.00 H new ATOM 0 HA MET A 106 -0.534 -0.950 -5.815 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.803 -2.311 -4.083 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.437 -3.408 -4.027 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.138 -0.438 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.564 -1.567 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.525 -2.621 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.748 -2.531 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.580 -3.884 -1.677 1.00 0.00 H new ATOM 1646 N GLU A 107 1.924 -1.307 -5.943 1.00 0.00 N ATOM 1647 CA GLU A 107 3.349 -1.481 -6.198 1.00 0.00 C ATOM 1648 C GLU A 107 4.183 -0.692 -5.193 1.00 0.00 C ATOM 1649 O GLU A 107 4.394 0.509 -5.353 1.00 0.00 O ATOM 1650 CB GLU A 107 3.692 -1.038 -7.622 1.00 0.00 C ATOM 1651 CG GLU A 107 5.001 -1.611 -8.139 1.00 0.00 C ATOM 1652 CD GLU A 107 5.620 -0.760 -9.230 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.839 0.446 -8.990 1.00 0.00 O ATOM 1654 OE2 GLU A 107 5.886 -1.300 -10.324 1.00 0.00 O ATOM 0 H GLU A 107 1.641 -0.343 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 107 3.585 -2.539 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.885 -1.337 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.744 0.050 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.705 -1.703 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.827 -2.616 -8.522 1.00 0.00 H new ATOM 1661 N GLY A 108 4.653 -1.377 -4.155 1.00 0.00 N ATOM 1662 CA GLY A 108 5.457 -0.725 -3.138 1.00 0.00 C ATOM 1663 C GLY A 108 6.925 -1.088 -3.239 1.00 0.00 C ATOM 1664 O GLY A 108 7.274 -2.264 -3.350 1.00 0.00 O ATOM 0 H GLY A 108 4.491 -2.372 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.346 0.356 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.084 -1.002 -2.152 1.00 0.00 H new ATOM 1668 N ARG A 109 7.787 -0.078 -3.201 1.00 0.00 N ATOM 1669 CA ARG A 109 9.226 -0.297 -3.291 1.00 0.00 C ATOM 1670 C ARG A 109 9.961 0.460 -2.189 1.00 0.00 C ATOM 1671 O ARG A 109 9.951 1.689 -2.153 1.00 0.00 O ATOM 1672 CB ARG A 109 9.745 0.144 -4.661 1.00 0.00 C ATOM 1673 CG ARG A 109 9.364 1.569 -5.027 1.00 0.00 C ATOM 1674 CD ARG A 109 9.197 1.733 -6.530 1.00 0.00 C ATOM 1675 NE ARG A 109 9.158 3.138 -6.926 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.243 3.886 -7.088 1.00 0.00 C ATOM 1677 NH1 ARG A 109 11.446 3.367 -6.888 1.00 0.00 N ATOM 1678 NH2 ARG A 109 10.126 5.157 -7.451 1.00 0.00 N ATOM 0 H ARG A 109 7.514 0.901 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 109 9.415 -1.363 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.831 0.052 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.358 -0.533 -5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.435 1.839 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.131 2.255 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.020 1.235 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.278 1.241 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 109 8.247 3.568 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.540 2.390 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.278 3.944 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.202 5.560 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.960 5.731 -7.575 1.00 0.00 H new ATOM 1692 N GLY A 110 10.599 -0.285 -1.291 1.00 0.00 N ATOM 1693 CA GLY A 110 11.330 0.332 -0.200 1.00 0.00 C ATOM 1694 C GLY A 110 10.953 -0.245 1.150 1.00 0.00 C ATOM 1695 O GLY A 110 11.376 0.263 2.189 1.00 0.00 O ATOM 0 H GLY A 110 10.622 -1.305 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.400 0.199 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.138 1.405 -0.199 1.00 0.00 H new ATOM 1699 N ILE A 111 10.153 -1.306 1.136 1.00 0.00 N ATOM 1700 CA ILE A 111 9.719 -1.951 2.369 1.00 0.00 C ATOM 1701 C ILE A 111 10.874 -2.684 3.043 1.00 0.00 C ATOM 1702 O ILE A 111 11.512 -3.559 2.458 1.00 0.00 O ATOM 1703 CB ILE A 111 8.574 -2.948 2.109 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.264 -2.200 1.854 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.426 -3.902 3.285 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.016 -1.898 0.393 1.00 0.00 C ATOM 0 H ILE A 111 9.792 -1.737 0.285 1.00 0.00 H new ATOM 0 HA ILE A 111 9.360 -1.161 3.029 1.00 0.00 H new ATOM 0 HB ILE A 111 8.815 -3.532 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.435 -2.793 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.274 -1.265 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.613 -4.601 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.355 -4.456 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.204 -3.334 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.070 -1.367 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.825 -1.278 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.973 -2.831 -0.169 1.00 0.00 H new ATOM 1718 N PRO A 112 11.149 -2.320 4.304 1.00 0.00 N ATOM 1719 CA PRO A 112 12.227 -2.933 5.087 1.00 0.00 C ATOM 1720 C PRO A 112 12.200 -4.456 5.019 1.00 0.00 C ATOM 1721 O PRO A 112 11.165 -5.078 5.256 1.00 0.00 O ATOM 1722 CB PRO A 112 11.944 -2.455 6.514 1.00 0.00 C ATOM 1723 CG PRO A 112 11.198 -1.177 6.345 1.00 0.00 C ATOM 1724 CD PRO A 112 10.429 -1.285 5.064 1.00 0.00 C ATOM 0 HA PRO A 112 13.212 -2.651 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.355 -3.187 7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.868 -2.303 7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.525 -1.009 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.885 -0.331 6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.392 -1.570 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.411 -0.336 4.528 1.00 0.00 H new ATOM 1732 N ALA A 113 13.343 -5.050 4.695 1.00 0.00 N ATOM 1733 CA ALA A 113 13.450 -6.500 4.599 1.00 0.00 C ATOM 1734 C ALA A 113 13.059 -7.168 5.913 1.00 0.00 C ATOM 1735 O ALA A 113 12.378 -8.193 5.937 1.00 0.00 O ATOM 1736 CB ALA A 113 14.864 -6.900 4.202 1.00 0.00 C ATOM 0 H ALA A 113 14.209 -4.549 4.494 1.00 0.00 H new ATOM 0 HA ALA A 113 12.758 -6.840 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.929 -7.986 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 113 15.108 -6.461 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.568 -6.540 4.952 1.00 0.00 H new ATOM 1742 N PRO A 114 13.499 -6.575 7.033 1.00 0.00 N ATOM 1743 CA PRO A 114 13.207 -7.096 8.371 1.00 0.00 C ATOM 1744 C PRO A 114 11.762 -6.846 8.788 1.00 0.00 C ATOM 1745 O PRO A 114 11.328 -7.289 9.851 1.00 0.00 O ATOM 1746 CB PRO A 114 14.166 -6.315 9.273 1.00 0.00 C ATOM 1747 CG PRO A 114 14.442 -5.053 8.530 1.00 0.00 C ATOM 1748 CD PRO A 114 14.316 -5.351 7.078 1.00 0.00 C ATOM 0 HA PRO A 114 13.335 -8.177 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.718 -6.112 10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.083 -6.876 9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.739 -4.274 8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.441 -4.684 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.836 -4.531 6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.291 -5.505 6.616 1.00 0.00 H new ATOM 1756 N GLU A 115 11.021 -6.135 7.943 1.00 0.00 N ATOM 1757 CA GLU A 115 9.624 -5.827 8.225 1.00 0.00 C ATOM 1758 C GLU A 115 8.729 -6.246 7.062 1.00 0.00 C ATOM 1759 O GLU A 115 7.508 -6.112 7.127 1.00 0.00 O ATOM 1760 CB GLU A 115 9.455 -4.332 8.501 1.00 0.00 C ATOM 1761 CG GLU A 115 10.473 -3.774 9.481 1.00 0.00 C ATOM 1762 CD GLU A 115 10.273 -4.297 10.890 1.00 0.00 C ATOM 1763 OE1 GLU A 115 9.116 -4.312 11.359 1.00 0.00 O ATOM 1764 OE2 GLU A 115 11.274 -4.692 11.525 1.00 0.00 O ATOM 0 H GLU A 115 11.365 -5.762 7.058 1.00 0.00 H new ATOM 0 HA GLU A 115 9.326 -6.389 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.532 -3.787 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.453 -4.154 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.477 -4.030 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.406 -2.686 9.488 1.00 0.00 H new ATOM 1771 N GLU A 116 9.348 -6.753 6.000 1.00 0.00 N ATOM 1772 CA GLU A 116 8.607 -7.189 4.822 1.00 0.00 C ATOM 1773 C GLU A 116 7.315 -7.895 5.223 1.00 0.00 C ATOM 1774 O GLU A 116 6.219 -7.385 4.989 1.00 0.00 O ATOM 1775 CB GLU A 116 9.467 -8.123 3.968 1.00 0.00 C ATOM 1776 CG GLU A 116 8.699 -8.806 2.850 1.00 0.00 C ATOM 1777 CD GLU A 116 9.473 -9.949 2.223 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.719 -9.869 2.178 1.00 0.00 O ATOM 1779 OE2 GLU A 116 8.833 -10.925 1.778 1.00 0.00 O ATOM 0 H GLU A 116 10.359 -6.872 5.931 1.00 0.00 H new ATOM 0 HA GLU A 116 8.352 -6.305 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.289 -7.552 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.910 -8.884 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.754 -9.184 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.455 -8.073 2.081 1.00 0.00 H new ATOM 1786 N GLU A 117 7.453 -9.071 5.827 1.00 0.00 N ATOM 1787 CA GLU A 117 6.296 -9.848 6.258 1.00 0.00 C ATOM 1788 C GLU A 117 5.327 -8.982 7.058 1.00 0.00 C ATOM 1789 O GLU A 117 4.188 -8.764 6.647 1.00 0.00 O ATOM 1790 CB GLU A 117 6.743 -11.044 7.101 1.00 0.00 C ATOM 1791 CG GLU A 117 7.763 -10.689 8.170 1.00 0.00 C ATOM 1792 CD GLU A 117 8.723 -11.826 8.461 1.00 0.00 C ATOM 1793 OE1 GLU A 117 8.979 -12.635 7.545 1.00 0.00 O ATOM 1794 OE2 GLU A 117 9.216 -11.908 9.605 1.00 0.00 O ATOM 0 H GLU A 117 8.353 -9.506 6.029 1.00 0.00 H new ATOM 0 HA GLU A 117 5.782 -10.211 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.869 -11.488 7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.168 -11.803 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.329 -9.814 7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.242 -10.415 9.087 1.00 0.00 H new ATOM 1801 N ARG A 118 5.789 -8.491 8.204 1.00 0.00 N ATOM 1802 CA ARG A 118 4.964 -7.650 9.063 1.00 0.00 C ATOM 1803 C ARG A 118 4.133 -6.676 8.234 1.00 0.00 C ATOM 1804 O ARG A 118 2.951 -6.462 8.506 1.00 0.00 O ATOM 1805 CB ARG A 118 5.841 -6.877 10.050 1.00 0.00 C ATOM 1806 CG ARG A 118 5.076 -5.851 10.870 1.00 0.00 C ATOM 1807 CD ARG A 118 6.000 -4.775 11.418 1.00 0.00 C ATOM 1808 NE ARG A 118 5.271 -3.764 12.180 1.00 0.00 N ATOM 1809 CZ ARG A 118 5.837 -2.985 13.095 1.00 0.00 C ATOM 1810 NH1 ARG A 118 7.131 -3.098 13.359 1.00 0.00 N ATOM 1811 NH2 ARG A 118 5.107 -2.088 13.747 1.00 0.00 N ATOM 0 H ARG A 118 6.730 -8.661 8.559 1.00 0.00 H new ATOM 0 HA ARG A 118 4.286 -8.297 9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.323 -7.584 10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.634 -6.371 9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 118 4.306 -5.390 10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.567 -6.349 11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.755 -5.235 12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 118 6.528 -4.296 10.593 1.00 0.00 H new ATOM 0 HE ARG A 118 4.274 -3.650 12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 118 7.695 -3.785 12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 118 7.562 -2.498 14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 118 4.111 -1.997 13.545 1.00 0.00 H new ATOM 0 HH22 ARG A 118 5.542 -1.490 14.450 1.00 0.00 H new ATOM 1825 N THR A 119 4.758 -6.086 7.219 1.00 0.00 N ATOM 1826 CA THR A 119 4.078 -5.133 6.351 1.00 0.00 C ATOM 1827 C THR A 119 2.878 -5.775 5.665 1.00 0.00 C ATOM 1828 O THR A 119 1.741 -5.337 5.843 1.00 0.00 O ATOM 1829 CB THR A 119 5.029 -4.572 5.278 1.00 0.00 C ATOM 1830 OG1 THR A 119 6.213 -4.054 5.895 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.350 -3.475 4.472 1.00 0.00 C ATOM 0 H THR A 119 5.735 -6.252 6.978 1.00 0.00 H new ATOM 0 HA THR A 119 3.736 -4.315 6.986 1.00 0.00 H new ATOM 0 HB THR A 119 5.297 -5.384 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.771 -4.797 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.042 -3.094 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.466 -3.880 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.055 -2.664 5.138 1.00 0.00 H new ATOM 1839 N ARG A 120 3.137 -6.816 4.880 1.00 0.00 N ATOM 1840 CA ARG A 120 2.077 -7.518 4.167 1.00 0.00 C ATOM 1841 C ARG A 120 1.185 -8.287 5.137 1.00 0.00 C ATOM 1842 O ARG A 120 0.092 -8.722 4.777 1.00 0.00 O ATOM 1843 CB ARG A 120 2.676 -8.478 3.137 1.00 0.00 C ATOM 1844 CG ARG A 120 1.774 -8.727 1.939 1.00 0.00 C ATOM 1845 CD ARG A 120 2.536 -9.373 0.793 1.00 0.00 C ATOM 1846 NE ARG A 120 1.670 -10.202 -0.041 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.082 -11.314 0.388 1.00 0.00 C ATOM 1848 NH1 ARG A 120 1.266 -11.727 1.634 1.00 0.00 N ATOM 1849 NH2 ARG A 120 0.307 -12.014 -0.431 1.00 0.00 N ATOM 0 H ARG A 120 4.072 -7.192 4.722 1.00 0.00 H new ATOM 0 HA ARG A 120 1.467 -6.776 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.627 -8.075 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.892 -9.430 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 120 0.945 -9.370 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.343 -7.783 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.995 -8.597 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.345 -9.983 1.194 1.00 0.00 H new ATOM 0 HE ARG A 120 1.508 -9.912 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.860 -11.191 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.813 -12.581 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.162 -11.699 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.144 -12.867 -0.101 1.00 0.00 H new ATOM 1863 N GLN A 121 1.660 -8.449 6.367 1.00 0.00 N ATOM 1864 CA GLN A 121 0.906 -9.167 7.388 1.00 0.00 C ATOM 1865 C GLN A 121 -0.337 -8.383 7.798 1.00 0.00 C ATOM 1866 O GLN A 121 -1.378 -8.965 8.099 1.00 0.00 O ATOM 1867 CB GLN A 121 1.785 -9.428 8.613 1.00 0.00 C ATOM 1868 CG GLN A 121 2.702 -10.631 8.458 1.00 0.00 C ATOM 1869 CD GLN A 121 2.882 -11.398 9.753 1.00 0.00 C ATOM 1870 OE1 GLN A 121 2.140 -11.197 10.715 1.00 0.00 O ATOM 1871 NE2 GLN A 121 3.870 -12.284 9.784 1.00 0.00 N ATOM 0 H GLN A 121 2.563 -8.093 6.681 1.00 0.00 H new ATOM 0 HA GLN A 121 0.590 -10.121 6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.390 -8.543 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 121 1.146 -9.578 9.483 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.294 -11.298 7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.676 -10.297 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 121 4.461 -12.418 8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 121 4.038 -12.831 10.628 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.219 -7.059 7.808 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.340 -6.217 8.182 1.00 0.00 C ATOM 1882 C GLY A 122 -1.587 -5.103 7.185 1.00 0.00 C ATOM 1883 O GLY A 122 -1.971 -3.996 7.564 1.00 0.00 O ATOM 0 H GLY A 122 0.633 -6.554 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.238 -6.829 8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.154 -5.785 9.165 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.366 -5.393 5.909 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.565 -4.406 4.854 1.00 0.00 C ATOM 1889 C TRP A 123 -2.963 -4.523 4.255 1.00 0.00 C ATOM 1890 O TRP A 123 -3.794 -3.631 4.420 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.512 -4.579 3.759 1.00 0.00 C ATOM 1892 CG TRP A 123 -0.079 -3.284 3.141 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.933 -2.471 3.565 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.647 -2.652 1.988 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.028 -1.372 2.746 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.070 -1.460 1.770 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.691 -2.979 1.118 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.225 -0.596 0.719 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.982 -2.120 0.076 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.251 -0.941 -0.117 1.00 0.00 C ATOM 0 H TRP A 123 -1.049 -6.304 5.579 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.461 -3.415 5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.359 -5.082 4.179 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.911 -5.229 2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.566 -2.664 4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.702 -0.613 2.848 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.260 -3.886 1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.336 0.314 0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.787 -2.362 -0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.502 -0.291 -0.942 1.00 0.00 H new ATOM 1911 N GLN A 124 -3.213 -5.629 3.561 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.511 -5.861 2.938 1.00 0.00 C ATOM 1913 C GLN A 124 -5.592 -6.070 3.993 1.00 0.00 C ATOM 1914 O GLN A 124 -6.758 -5.740 3.775 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.445 -7.076 2.011 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.557 -6.866 0.795 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.798 -8.119 0.404 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.863 -8.565 -0.742 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -2.073 -8.694 1.356 1.00 0.00 N ATOM 0 H GLN A 124 -2.535 -6.377 3.416 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.767 -4.979 2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.078 -7.933 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.453 -7.323 1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.169 -6.539 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.847 -6.065 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.048 -8.290 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.541 -9.540 1.151 1.00 0.00 H new ATOM 1928 N ARG A 125 -5.197 -6.619 5.137 1.00 0.00 N ATOM 1929 CA ARG A 125 -6.133 -6.874 6.226 1.00 0.00 C ATOM 1930 C ARG A 125 -6.958 -5.628 6.535 1.00 0.00 C ATOM 1931 O ARG A 125 -8.083 -5.722 7.027 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.381 -7.324 7.479 1.00 0.00 C ATOM 1933 CG ARG A 125 -5.178 -8.828 7.560 1.00 0.00 C ATOM 1934 CD ARG A 125 -6.311 -9.503 8.318 1.00 0.00 C ATOM 1935 NE ARG A 125 -6.231 -10.959 8.239 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.583 -11.657 7.165 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -7.035 -11.035 6.085 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -6.482 -12.980 7.170 1.00 0.00 N ATOM 0 H ARG A 125 -4.235 -6.896 5.334 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.809 -7.669 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.408 -6.833 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.929 -6.992 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.114 -9.242 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.230 -9.042 8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.282 -9.195 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.267 -9.170 7.913 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.886 -11.468 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.113 -10.018 6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.305 -11.573 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.134 -13.462 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.753 -13.515 6.345 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.392 -4.462 6.244 1.00 0.00 N ATOM 1953 CA TYR A 126 -7.073 -3.198 6.494 1.00 0.00 C ATOM 1954 C TYR A 126 -7.328 -2.449 5.190 1.00 0.00 C ATOM 1955 O TYR A 126 -8.342 -1.768 5.039 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.246 -2.327 7.442 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.444 -3.121 8.448 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -6.005 -4.203 9.115 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.125 -2.789 8.732 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.276 -4.930 10.036 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.388 -3.511 9.650 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.968 -4.581 10.300 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.238 -5.304 11.215 1.00 0.00 O ATOM 0 H TYR A 126 -5.463 -4.366 5.835 1.00 0.00 H new ATOM 0 HA TYR A 126 -8.034 -3.419 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.567 -1.709 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.913 -1.650 7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -7.028 -4.480 8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.668 -1.951 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.728 -5.767 10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.364 -3.240 9.858 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.335 -4.929 11.283 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.399 -2.581 4.249 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.520 -1.916 2.957 1.00 0.00 C ATOM 1975 C TYR A 127 -7.702 -2.470 2.168 1.00 0.00 C ATOM 1976 O TYR A 127 -8.686 -1.769 1.927 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.231 -2.084 2.151 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.330 -0.870 2.188 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -4.010 -0.255 3.392 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.799 -0.338 1.020 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.189 0.855 3.431 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.975 0.770 1.049 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.674 1.364 2.257 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.854 2.468 2.292 1.00 0.00 O ATOM 0 H TYR A 127 -5.554 -3.142 4.357 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.692 -0.855 3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.683 -2.945 2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.487 -2.305 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.410 -0.652 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.035 -0.799 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.952 1.322 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.569 1.169 0.131 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.026 2.246 2.767 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.599 -3.733 1.768 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.659 -4.383 1.006 1.00 0.00 C ATOM 1996 C PHE A 128 -9.615 -5.129 1.931 1.00 0.00 C ATOM 1997 O PHE A 128 -10.777 -4.751 2.075 1.00 0.00 O ATOM 1998 CB PHE A 128 -8.060 -5.351 -0.017 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.831 -4.820 -0.697 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.568 -3.460 -0.719 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.938 -5.682 -1.314 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.437 -2.969 -1.344 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.806 -5.196 -1.940 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.555 -3.838 -1.956 1.00 0.00 C ATOM 0 H PHE A 128 -6.792 -4.327 1.959 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.220 -3.611 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.813 -6.288 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.812 -5.581 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.254 -2.776 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -6.129 -6.745 -1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.243 -1.907 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -4.118 -5.878 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.671 -3.457 -2.446 1.00 0.00 H new ATOM 2014 N GLU A 129 -9.116 -6.192 2.555 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.927 -6.992 3.465 1.00 0.00 C ATOM 2016 C GLU A 129 -10.902 -6.113 4.242 1.00 0.00 C ATOM 2017 O GLU A 129 -12.013 -6.533 4.564 1.00 0.00 O ATOM 2018 CB GLU A 129 -9.031 -7.762 4.439 1.00 0.00 C ATOM 2019 CG GLU A 129 -8.033 -8.679 3.752 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.694 -9.882 3.107 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.793 -10.268 3.557 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.112 -10.438 2.153 1.00 0.00 O ATOM 0 H GLU A 129 -8.156 -6.518 2.447 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.501 -7.702 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.489 -7.050 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.658 -8.355 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.491 -8.116 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.298 -9.020 4.481 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.477 -4.889 4.541 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.324 -3.969 5.278 1.00 0.00 C ATOM 2031 C GLY A 130 -12.459 -3.422 4.434 1.00 0.00 C ATOM 2032 O GLY A 130 -13.622 -3.484 4.832 1.00 0.00 O ATOM 0 H GLY A 130 -9.562 -4.518 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.736 -4.478 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.720 -3.141 5.649 1.00 0.00 H new ATOM 2036 N ILE A 131 -12.120 -2.885 3.267 1.00 0.00 N ATOM 2037 CA ILE A 131 -13.120 -2.325 2.366 1.00 0.00 C ATOM 2038 C ILE A 131 -13.990 -3.421 1.761 1.00 0.00 C ATOM 2039 O ILE A 131 -15.216 -3.385 1.866 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.464 -1.519 1.229 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.522 -0.459 1.803 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.529 -0.872 0.356 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.566 0.117 0.782 1.00 0.00 C ATOM 0 H ILE A 131 -11.161 -2.826 2.923 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.743 -1.657 2.961 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.880 -2.201 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.115 0.350 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.948 -0.898 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -13.050 -0.306 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -14.163 -1.645 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -14.138 -0.201 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.929 0.862 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.947 -0.681 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -11.132 0.586 -0.023 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.348 -4.397 1.127 1.00 0.00 N ATOM 2056 CA LYS A 132 -14.061 -5.507 0.507 1.00 0.00 C ATOM 2057 C LYS A 132 -15.287 -5.892 1.329 1.00 0.00 C ATOM 2058 O LYS A 132 -16.344 -6.197 0.777 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.135 -6.715 0.356 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.237 -6.645 -0.867 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.228 -7.781 -0.885 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.870 -8.185 -2.307 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.265 -9.545 -2.361 1.00 0.00 N ATOM 0 H LYS A 132 -12.334 -4.441 1.029 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.393 -5.187 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.514 -6.800 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.739 -7.621 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.847 -6.685 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.711 -5.690 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.326 -7.477 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.636 -8.640 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.766 -8.161 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.172 -7.460 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.988 -9.763 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.425 -9.576 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.959 -10.247 -2.033 1.00 0.00 H new ATOM 2077 N GLN A 133 -15.138 -5.876 2.649 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.234 -6.224 3.546 1.00 0.00 C ATOM 2079 C GLN A 133 -16.991 -4.976 3.990 1.00 0.00 C ATOM 2080 O GLN A 133 -18.216 -4.910 3.887 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.703 -6.974 4.768 1.00 0.00 C ATOM 2082 CG GLN A 133 -15.009 -8.283 4.425 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.133 -9.316 5.528 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.455 -9.231 6.552 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -16.002 -10.298 5.324 1.00 0.00 N ATOM 0 H GLN A 133 -14.269 -5.626 3.122 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.923 -6.871 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -15.004 -6.331 5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.531 -7.178 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.435 -8.686 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.954 -8.090 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.543 -10.329 4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -16.129 -11.022 6.031 1.00 0.00 H new ATOM 2094 N THR A 134 -16.253 -3.987 4.484 1.00 0.00 N ATOM 2095 CA THR A 134 -16.854 -2.742 4.945 1.00 0.00 C ATOM 2096 C THR A 134 -17.796 -2.164 3.895 1.00 0.00 C ATOM 2097 O THR A 134 -18.991 -1.999 4.142 1.00 0.00 O ATOM 2098 CB THR A 134 -15.779 -1.692 5.288 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.970 -2.156 6.374 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.420 -0.363 5.657 1.00 0.00 C ATOM 0 H THR A 134 -15.238 -4.024 4.575 1.00 0.00 H new ATOM 0 HA THR A 134 -17.420 -2.979 5.846 1.00 0.00 H new ATOM 0 HB THR A 134 -15.153 -1.543 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.557 -3.011 6.132 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.642 0.362 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.011 0.001 4.817 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.067 -0.499 6.524 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.251 -1.858 2.722 1.00 0.00 N ATOM 2109 CA PHE A 135 -18.043 -1.298 1.634 1.00 0.00 C ATOM 2110 C PHE A 135 -18.730 -2.403 0.836 1.00 0.00 C ATOM 2111 O PHE A 135 -19.730 -2.166 0.161 1.00 0.00 O ATOM 2112 CB PHE A 135 -17.158 -0.460 0.709 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.624 0.786 1.356 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.869 0.711 2.515 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.877 2.031 0.805 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.377 1.856 3.113 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.388 3.180 1.398 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.636 3.092 2.553 1.00 0.00 C ATOM 0 H PHE A 135 -16.264 -1.989 2.501 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.810 -0.658 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.321 -1.070 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.731 -0.183 -0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.662 -0.253 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.463 2.105 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.791 1.784 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.594 4.145 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.251 3.988 3.018 1.00 0.00 H new ATOM 2128 N GLY A 136 -18.183 -3.612 0.920 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.754 -4.736 0.201 1.00 0.00 C ATOM 2130 C GLY A 136 -18.183 -4.882 -1.195 1.00 0.00 C ATOM 2131 O GLY A 136 -18.884 -5.290 -2.121 1.00 0.00 O ATOM 0 H GLY A 136 -17.355 -3.833 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.572 -5.653 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.835 -4.611 0.137 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.907 -4.546 -1.349 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.243 -4.638 -2.643 1.00 0.00 C ATOM 2137 C TYR A 137 -15.386 -5.898 -2.728 1.00 0.00 C ATOM 2138 O TYR A 137 -14.349 -5.914 -3.390 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.376 -3.401 -2.885 1.00 0.00 C ATOM 2140 CG TYR A 137 -16.130 -2.098 -2.748 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.518 -2.067 -2.804 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.455 -0.898 -2.564 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -18.211 -0.878 -2.681 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -16.140 0.295 -2.439 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.518 0.300 -2.498 1.00 0.00 C ATOM 2146 OH TYR A 137 -18.204 1.487 -2.374 1.00 0.00 O ATOM 0 H TYR A 137 -16.312 -4.207 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 137 -17.012 -4.691 -3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.545 -3.406 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.946 -3.459 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -18.064 -2.988 -2.946 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.376 -0.898 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.290 -0.871 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.599 1.219 -2.296 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.567 2.221 -2.250 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.828 -6.953 -2.051 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.091 -8.204 -2.062 1.00 0.00 C ATOM 2158 C GLY A 138 -15.820 -9.299 -2.815 1.00 0.00 C ATOM 2159 O GLY A 138 -17.009 -9.176 -3.106 1.00 0.00 O ATOM 0 H GLY A 138 -16.683 -6.964 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.114 -8.043 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.915 -8.528 -1.036 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.104 -10.373 -3.133 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.690 -11.495 -3.856 1.00 0.00 C ATOM 2165 C ALA A 139 -15.494 -12.802 -3.095 1.00 0.00 C ATOM 2166 O ALA A 139 -16.389 -13.645 -3.049 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.088 -11.597 -5.249 1.00 0.00 C ATOM 0 H ALA A 139 -14.118 -10.489 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.761 -11.316 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.535 -12.439 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.286 -10.677 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.011 -11.748 -5.170 1.00 0.00 H new