USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 985 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 12 SER OG : rot -156:sc= -2.09 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -7.48 K(o=-9.6,f=-13!) USER MOD Set 2.1: A 10 TYR OH : rot 30:sc= -1.02 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 171:sc= -5.04! (180deg=-5.82!) USER MOD Set 2.3: A 34 ASN : amide:sc= -0.146 K(o=-14,f=-25!) USER MOD Set 2.4: A 52 GLN : amide:sc= -7.44! C(o=-14!,f=-13!) USER MOD Set 2.5: A 95 MET CE :methyl 170:sc= -0.0263 (180deg=-0.243) USER MOD Set 3.1: A 7 THR OG1 : rot -29:sc= -0.172 USER MOD Set 3.2: A 85 SER OG : rot 160:sc= -0.139 USER MOD Single : A 6 THR OG1 : rot -12:sc= 0.328 USER MOD Single : A 13 GLN : amide:sc= -0.675 K(o=-0.67,f=-0.023) USER MOD Single : A 15 HIS : no HD1:sc= -0.315 X(o=-0.32,f=0.059) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -55:sc= 0.89 USER MOD Single : A 32 SER OG : rot 51:sc= 0.326 USER MOD Single : A 40 THR OG1 : rot 106:sc= -0.647 USER MOD Single : A 46 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.53) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00866 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 82:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.91) USER MOD Single : A 70 SER OG : rot 87:sc= 0.518 USER MOD Single : A 81 MET CE :methyl -144:sc= -5.07! (180deg=-5.35!) USER MOD Single : A 84 TYR OH : rot 58:sc= 0.904 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -34:sc= 1.1 USER MOD Single : A 128 MET CE :methyl -168:sc= 0 (180deg=-0.0396) USER MOD Single : A 133 SER OG : rot -69:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 16.967 -2.959 4.847 1.00 0.00 N ATOM 63 CA LEU A 5 15.700 -2.460 4.326 1.00 0.00 C ATOM 64 C LEU A 5 14.559 -2.824 5.263 1.00 0.00 C ATOM 65 O LEU A 5 14.752 -3.537 6.246 1.00 0.00 O ATOM 66 CB LEU A 5 15.441 -3.036 2.931 1.00 0.00 C ATOM 67 CG LEU A 5 14.842 -2.055 1.921 1.00 0.00 C ATOM 68 CD1 LEU A 5 15.840 -0.954 1.595 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.419 -2.789 0.655 1.00 0.00 C ATOM 0 HA LEU A 5 15.757 -1.374 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.382 -3.414 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.769 -3.889 3.027 1.00 0.00 H new ATOM 0 HG LEU A 5 13.958 -1.596 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.399 -0.264 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.096 -0.413 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.742 -1.395 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.995 -2.078 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.287 -3.273 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.672 -3.543 0.904 1.00 0.00 H new ATOM 81 N THR A 6 13.373 -2.319 4.959 1.00 0.00 N ATOM 82 CA THR A 6 12.204 -2.584 5.776 1.00 0.00 C ATOM 83 C THR A 6 10.931 -2.384 4.961 1.00 0.00 C ATOM 84 O THR A 6 10.935 -1.663 3.966 1.00 0.00 O ATOM 85 CB THR A 6 12.195 -1.665 7.010 1.00 0.00 C ATOM 86 OG1 THR A 6 13.385 -1.872 7.781 1.00 0.00 O ATOM 87 CG2 THR A 6 10.977 -1.927 7.881 1.00 0.00 C ATOM 0 H THR A 6 13.197 -1.723 4.150 1.00 0.00 H new ATOM 0 HA THR A 6 12.244 -3.620 6.112 1.00 0.00 H new ATOM 0 HB THR A 6 12.155 -0.633 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.842 -2.680 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.998 -1.263 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.071 -1.743 7.304 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.988 -2.963 8.219 1.00 0.00 H new ATOM 95 N THR A 7 9.844 -3.022 5.376 1.00 0.00 N ATOM 96 CA THR A 7 8.584 -2.907 4.658 1.00 0.00 C ATOM 97 C THR A 7 7.452 -2.455 5.567 1.00 0.00 C ATOM 98 O THR A 7 6.843 -3.266 6.263 1.00 0.00 O ATOM 99 CB THR A 7 8.181 -4.240 3.998 1.00 0.00 C ATOM 100 OG1 THR A 7 9.255 -4.731 3.187 1.00 0.00 O ATOM 101 CG2 THR A 7 6.930 -4.069 3.144 1.00 0.00 C ATOM 0 H THR A 7 9.810 -3.621 6.201 1.00 0.00 H new ATOM 0 HA THR A 7 8.747 -2.154 3.886 1.00 0.00 H new ATOM 0 HB THR A 7 7.965 -4.959 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.782 -3.976 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.667 -5.024 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.106 -3.726 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.121 -3.335 2.361 1.00 0.00 H new ATOM 109 N LEU A 8 7.186 -1.154 5.565 1.00 0.00 N ATOM 110 CA LEU A 8 6.118 -0.589 6.335 1.00 0.00 C ATOM 111 C LEU A 8 4.837 -0.652 5.543 1.00 0.00 C ATOM 112 O LEU A 8 4.801 -0.258 4.386 1.00 0.00 O ATOM 113 CB LEU A 8 6.454 0.842 6.640 1.00 0.00 C ATOM 114 CG LEU A 8 5.359 1.660 7.290 1.00 0.00 C ATOM 115 CD1 LEU A 8 4.315 2.107 6.283 1.00 0.00 C ATOM 116 CD2 LEU A 8 4.708 0.927 8.446 1.00 0.00 C ATOM 0 H LEU A 8 7.715 -0.471 5.023 1.00 0.00 H new ATOM 0 HA LEU A 8 5.989 -1.147 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.327 0.858 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.742 1.332 5.710 1.00 0.00 H new ATOM 0 HG LEU A 8 5.840 2.551 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.547 2.691 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.789 2.719 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.859 1.232 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.929 1.553 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.268 -0.003 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.459 0.703 9.204 1.00 0.00 H new ATOM 128 N ILE A 9 3.791 -1.142 6.157 1.00 0.00 N ATOM 129 CA ILE A 9 2.517 -1.216 5.492 1.00 0.00 C ATOM 130 C ILE A 9 1.453 -0.599 6.376 1.00 0.00 C ATOM 131 O ILE A 9 1.582 -0.597 7.597 1.00 0.00 O ATOM 132 CB ILE A 9 2.152 -2.660 5.127 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.243 -3.271 4.247 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.810 -2.706 4.414 1.00 0.00 C ATOM 135 CD1 ILE A 9 2.874 -4.635 3.722 1.00 0.00 C ATOM 0 H ILE A 9 3.796 -1.495 7.114 1.00 0.00 H new ATOM 0 HA ILE A 9 2.581 -0.658 4.558 1.00 0.00 H new ATOM 0 HB ILE A 9 2.074 -3.243 6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.442 -2.605 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.167 -3.345 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.567 -3.738 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.037 -2.300 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.863 -2.113 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.686 -5.019 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.703 -5.313 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.966 -4.561 3.123 1.00 0.00 H new ATOM 147 N TYR A 10 0.423 -0.049 5.760 1.00 0.00 N ATOM 148 CA TYR A 10 -0.650 0.594 6.504 1.00 0.00 C ATOM 149 C TYR A 10 -1.920 0.666 5.679 1.00 0.00 C ATOM 150 O TYR A 10 -1.915 0.395 4.479 1.00 0.00 O ATOM 151 CB TYR A 10 -0.237 2.012 6.931 1.00 0.00 C ATOM 152 CG TYR A 10 -0.113 3.001 5.791 1.00 0.00 C ATOM 153 CD1 TYR A 10 -1.240 3.593 5.229 1.00 0.00 C ATOM 154 CD2 TYR A 10 1.131 3.357 5.288 1.00 0.00 C ATOM 155 CE1 TYR A 10 -1.128 4.505 4.199 1.00 0.00 C ATOM 156 CE2 TYR A 10 1.251 4.271 4.261 1.00 0.00 C ATOM 157 CZ TYR A 10 0.118 4.842 3.718 1.00 0.00 C ATOM 158 OH TYR A 10 0.231 5.754 2.695 1.00 0.00 O ATOM 0 H TYR A 10 0.305 -0.033 4.747 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.842 -0.009 7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.969 2.390 7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.718 1.957 7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.219 3.334 5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.020 2.911 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.013 4.952 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.227 4.538 3.884 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.512 6.391 2.741 1.00 0.00 H new ATOM 168 N ARG A 11 -3.007 1.034 6.337 1.00 0.00 N ATOM 169 CA ARG A 11 -4.284 1.180 5.665 1.00 0.00 C ATOM 170 C ARG A 11 -5.104 2.265 6.338 1.00 0.00 C ATOM 171 O ARG A 11 -5.222 2.308 7.562 1.00 0.00 O ATOM 172 CB ARG A 11 -5.052 -0.141 5.628 1.00 0.00 C ATOM 173 CG ARG A 11 -5.834 -0.451 6.889 1.00 0.00 C ATOM 174 CD ARG A 11 -6.554 -1.783 6.775 1.00 0.00 C ATOM 175 NE ARG A 11 -7.239 -2.144 8.013 1.00 0.00 N ATOM 176 CZ ARG A 11 -8.229 -3.031 8.079 1.00 0.00 C ATOM 177 NH1 ARG A 11 -8.652 -3.640 6.979 1.00 0.00 N ATOM 178 NH2 ARG A 11 -8.796 -3.308 9.245 1.00 0.00 N ATOM 0 H ARG A 11 -3.029 1.237 7.336 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.094 1.472 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.741 -0.122 4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.346 -0.951 5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.158 -0.472 7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.558 0.342 7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.278 -1.735 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.836 -2.562 6.518 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.942 -1.690 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.218 -3.429 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.411 -4.319 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.474 -2.841 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.555 -3.988 9.294 1.00 0.00 H new ATOM 192 N SER A 12 -5.658 3.143 5.525 1.00 0.00 N ATOM 193 CA SER A 12 -6.453 4.246 6.021 1.00 0.00 C ATOM 194 C SER A 12 -7.822 4.236 5.381 1.00 0.00 C ATOM 195 O SER A 12 -8.298 3.201 4.919 1.00 0.00 O ATOM 196 CB SER A 12 -5.768 5.569 5.694 1.00 0.00 C ATOM 197 OG SER A 12 -5.682 5.755 4.293 1.00 0.00 O ATOM 0 H SER A 12 -5.570 3.112 4.509 1.00 0.00 H new ATOM 0 HA SER A 12 -6.555 4.137 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.324 6.393 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.769 5.585 6.130 1.00 0.00 H new ATOM 0 HG SER A 12 -4.944 6.367 4.089 1.00 0.00 H new ATOM 203 N GLN A 13 -8.450 5.399 5.362 1.00 0.00 N ATOM 204 CA GLN A 13 -9.748 5.533 4.741 1.00 0.00 C ATOM 205 C GLN A 13 -9.738 6.694 3.763 1.00 0.00 C ATOM 206 O GLN A 13 -8.788 6.879 3.002 1.00 0.00 O ATOM 207 CB GLN A 13 -10.850 5.726 5.777 1.00 0.00 C ATOM 208 CG GLN A 13 -10.829 4.713 6.897 1.00 0.00 C ATOM 209 CD GLN A 13 -12.218 4.313 7.347 1.00 0.00 C ATOM 210 OE1 GLN A 13 -12.445 3.177 7.765 1.00 0.00 O ATOM 211 NE2 GLN A 13 -13.156 5.248 7.272 1.00 0.00 N ATOM 0 H GLN A 13 -8.081 6.258 5.769 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.959 4.609 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.762 6.725 6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.817 5.678 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.288 3.826 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.281 5.125 7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.924 6.176 6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.110 5.039 7.567 1.00 0.00 H new ATOM 220 N VAL A 14 -10.803 7.463 3.794 1.00 0.00 N ATOM 221 CA VAL A 14 -10.958 8.612 2.921 1.00 0.00 C ATOM 222 C VAL A 14 -12.145 9.443 3.392 1.00 0.00 C ATOM 223 O VAL A 14 -12.732 9.150 4.429 1.00 0.00 O ATOM 224 CB VAL A 14 -11.181 8.157 1.464 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.618 7.707 1.276 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.812 9.256 0.474 1.00 0.00 C ATOM 0 H VAL A 14 -11.590 7.312 4.426 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.050 9.214 2.959 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.523 7.312 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.767 7.387 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.830 6.875 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.291 8.535 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.981 8.902 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.429 10.135 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.761 9.518 0.597 1.00 0.00 H new ATOM 236 N HIS A 15 -12.497 10.472 2.637 1.00 0.00 N ATOM 237 CA HIS A 15 -13.624 11.316 2.993 1.00 0.00 C ATOM 238 C HIS A 15 -14.884 10.870 2.256 1.00 0.00 C ATOM 239 O HIS A 15 -15.108 11.264 1.110 1.00 0.00 O ATOM 240 CB HIS A 15 -13.323 12.774 2.673 1.00 0.00 C ATOM 241 CG HIS A 15 -12.907 13.575 3.866 1.00 0.00 C ATOM 242 ND1 HIS A 15 -13.756 14.440 4.526 1.00 0.00 N ATOM 243 CD2 HIS A 15 -11.724 13.639 4.524 1.00 0.00 C ATOM 244 CE1 HIS A 15 -13.114 15.000 5.535 1.00 0.00 C ATOM 245 NE2 HIS A 15 -11.881 14.530 5.556 1.00 0.00 N ATOM 0 H HIS A 15 -12.020 10.741 1.777 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.793 11.220 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.533 12.817 1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.208 13.230 2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.825 13.091 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.528 15.720 6.226 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.161 14.787 6.231 1.00 0.00 H new ATOM 254 N PRO A 16 -15.721 10.033 2.897 1.00 0.00 N ATOM 255 CA PRO A 16 -16.966 9.542 2.294 1.00 0.00 C ATOM 256 C PRO A 16 -17.861 10.674 1.820 1.00 0.00 C ATOM 257 O PRO A 16 -18.776 10.474 1.021 1.00 0.00 O ATOM 258 CB PRO A 16 -17.643 8.772 3.429 1.00 0.00 C ATOM 259 CG PRO A 16 -16.949 9.216 4.672 1.00 0.00 C ATOM 260 CD PRO A 16 -15.538 9.499 4.256 1.00 0.00 C ATOM 0 HA PRO A 16 -16.773 8.935 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.709 8.993 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.546 7.696 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.422 10.105 5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.985 8.444 5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.055 10.220 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.923 8.599 4.261 1.00 0.00 H new ATOM 268 N ASP A 17 -17.581 11.861 2.325 1.00 0.00 N ATOM 269 CA ASP A 17 -18.346 13.051 1.976 1.00 0.00 C ATOM 270 C ASP A 17 -17.739 13.766 0.769 1.00 0.00 C ATOM 271 O ASP A 17 -18.451 14.410 -0.003 1.00 0.00 O ATOM 272 CB ASP A 17 -18.404 14.003 3.170 1.00 0.00 C ATOM 273 CG ASP A 17 -19.271 15.218 2.902 1.00 0.00 C ATOM 274 OD1 ASP A 17 -18.752 16.206 2.341 1.00 0.00 O ATOM 275 OD2 ASP A 17 -20.469 15.184 3.254 1.00 0.00 O ATOM 0 H ASP A 17 -16.822 12.031 2.985 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.356 12.738 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.791 13.469 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.394 14.329 3.420 1.00 0.00 H new ATOM 280 N ARG A 18 -16.423 13.649 0.610 1.00 0.00 N ATOM 281 CA ARG A 18 -15.727 14.289 -0.502 1.00 0.00 C ATOM 282 C ARG A 18 -15.841 13.441 -1.776 1.00 0.00 C ATOM 283 O ARG A 18 -16.314 12.305 -1.725 1.00 0.00 O ATOM 284 CB ARG A 18 -14.256 14.531 -0.130 1.00 0.00 C ATOM 285 CG ARG A 18 -13.293 13.483 -0.654 1.00 0.00 C ATOM 286 CD ARG A 18 -11.853 13.890 -0.397 1.00 0.00 C ATOM 287 NE ARG A 18 -10.913 13.144 -1.230 1.00 0.00 N ATOM 288 CZ ARG A 18 -10.021 13.722 -2.031 1.00 0.00 C ATOM 289 NH1 ARG A 18 -9.947 15.045 -2.103 1.00 0.00 N ATOM 290 NH2 ARG A 18 -9.202 12.979 -2.761 1.00 0.00 N ATOM 0 H ARG A 18 -15.818 13.118 1.236 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.196 15.252 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.954 15.506 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.171 14.573 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.495 12.526 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.450 13.342 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.739 14.957 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.613 13.728 0.654 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.942 12.125 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.575 15.622 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.262 15.485 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.254 11.962 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.519 13.424 -3.374 1.00 0.00 H new ATOM 304 N PRO A 19 -15.411 13.978 -2.940 1.00 0.00 N ATOM 305 CA PRO A 19 -15.474 13.263 -4.214 1.00 0.00 C ATOM 306 C PRO A 19 -14.309 12.283 -4.383 1.00 0.00 C ATOM 307 O PRO A 19 -13.452 12.182 -3.505 1.00 0.00 O ATOM 308 CB PRO A 19 -15.408 14.384 -5.266 1.00 0.00 C ATOM 309 CG PRO A 19 -15.237 15.671 -4.515 1.00 0.00 C ATOM 310 CD PRO A 19 -14.824 15.311 -3.118 1.00 0.00 C ATOM 0 HA PRO A 19 -16.372 12.650 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.576 14.223 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.317 14.405 -5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.483 16.298 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.167 16.240 -4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.740 15.294 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.207 16.023 -2.387 1.00 0.00 H new ATOM 318 N PRO A 20 -14.260 11.544 -5.510 1.00 0.00 N ATOM 319 CA PRO A 20 -13.192 10.569 -5.769 1.00 0.00 C ATOM 320 C PRO A 20 -11.798 11.169 -5.615 1.00 0.00 C ATOM 321 O PRO A 20 -11.624 12.389 -5.657 1.00 0.00 O ATOM 322 CB PRO A 20 -13.434 10.148 -7.217 1.00 0.00 C ATOM 323 CG PRO A 20 -14.884 10.394 -7.447 1.00 0.00 C ATOM 324 CD PRO A 20 -15.233 11.597 -6.617 1.00 0.00 C ATOM 0 HA PRO A 20 -13.222 9.742 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.820 10.729 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.181 9.099 -7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.087 10.575 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.479 9.530 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.140 12.520 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.259 11.549 -6.252 1.00 0.00 H new ATOM 332 N VAL A 21 -10.808 10.299 -5.436 1.00 0.00 N ATOM 333 CA VAL A 21 -9.427 10.724 -5.273 1.00 0.00 C ATOM 334 C VAL A 21 -8.706 10.800 -6.610 1.00 0.00 C ATOM 335 O VAL A 21 -9.072 10.118 -7.567 1.00 0.00 O ATOM 336 CB VAL A 21 -8.650 9.747 -4.380 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.225 10.213 -4.209 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.310 9.578 -3.026 1.00 0.00 C ATOM 0 H VAL A 21 -10.942 9.288 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.461 11.712 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.653 8.776 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.686 9.510 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.740 10.266 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.218 11.200 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.730 8.879 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.355 10.543 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.320 9.191 -3.159 1.00 0.00 H new ATOM 348 N ASP A 22 -7.676 11.639 -6.667 1.00 0.00 N ATOM 349 CA ASP A 22 -6.874 11.774 -7.868 1.00 0.00 C ATOM 350 C ASP A 22 -5.791 10.713 -7.864 1.00 0.00 C ATOM 351 O ASP A 22 -4.613 11.015 -7.940 1.00 0.00 O ATOM 352 CB ASP A 22 -6.261 13.172 -7.959 1.00 0.00 C ATOM 353 CG ASP A 22 -7.310 14.255 -8.121 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.673 14.560 -9.277 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.769 14.797 -7.093 1.00 0.00 O ATOM 0 H ASP A 22 -7.381 12.234 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.511 11.637 -8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.676 13.368 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.572 13.209 -8.802 1.00 0.00 H new ATOM 360 N LEU A 23 -6.235 9.467 -7.775 1.00 0.00 N ATOM 361 CA LEU A 23 -5.373 8.291 -7.733 1.00 0.00 C ATOM 362 C LEU A 23 -4.341 8.233 -8.853 1.00 0.00 C ATOM 363 O LEU A 23 -3.625 7.250 -8.983 1.00 0.00 O ATOM 364 CB LEU A 23 -6.261 7.070 -7.787 1.00 0.00 C ATOM 365 CG LEU A 23 -7.432 7.135 -6.815 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.447 6.051 -7.119 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.929 6.994 -5.390 1.00 0.00 C ATOM 0 H LEU A 23 -7.228 9.239 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.794 8.337 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.645 6.953 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.664 6.185 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.922 8.102 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.274 6.118 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.826 6.181 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.973 5.074 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.772 7.041 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.421 6.036 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.233 7.803 -5.168 1.00 0.00 H new ATOM 379 N ASP A 24 -4.309 9.243 -9.690 1.00 0.00 N ATOM 380 CA ASP A 24 -3.325 9.312 -10.751 1.00 0.00 C ATOM 381 C ASP A 24 -2.252 10.289 -10.334 1.00 0.00 C ATOM 382 O ASP A 24 -1.055 10.054 -10.488 1.00 0.00 O ATOM 383 CB ASP A 24 -3.978 9.770 -12.040 1.00 0.00 C ATOM 384 CG ASP A 24 -3.231 9.299 -13.273 1.00 0.00 C ATOM 385 OD1 ASP A 24 -3.513 8.180 -13.748 1.00 0.00 O ATOM 386 OD2 ASP A 24 -2.362 10.051 -13.762 1.00 0.00 O ATOM 0 H ASP A 24 -4.954 10.032 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.889 8.328 -10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.002 9.398 -12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.034 10.859 -12.048 1.00 0.00 H new ATOM 391 N ALA A 25 -2.734 11.392 -9.800 1.00 0.00 N ATOM 392 CA ALA A 25 -1.892 12.470 -9.310 1.00 0.00 C ATOM 393 C ALA A 25 -1.443 12.203 -7.874 1.00 0.00 C ATOM 394 O ALA A 25 -0.393 12.673 -7.433 1.00 0.00 O ATOM 395 CB ALA A 25 -2.664 13.778 -9.385 1.00 0.00 C ATOM 0 H ALA A 25 -3.733 11.570 -9.692 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.999 12.534 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.038 14.592 -9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.947 13.975 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.562 13.706 -8.771 1.00 0.00 H new ATOM 401 N LEU A 26 -2.249 11.423 -7.165 1.00 0.00 N ATOM 402 CA LEU A 26 -2.000 11.079 -5.774 1.00 0.00 C ATOM 403 C LEU A 26 -0.768 10.196 -5.657 1.00 0.00 C ATOM 404 O LEU A 26 0.055 10.364 -4.757 1.00 0.00 O ATOM 405 CB LEU A 26 -3.253 10.379 -5.212 1.00 0.00 C ATOM 406 CG LEU A 26 -3.034 9.308 -4.136 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.308 9.102 -3.336 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.611 7.989 -4.757 1.00 0.00 C ATOM 0 H LEU A 26 -3.101 11.009 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.804 11.980 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.910 11.144 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.784 9.918 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.239 9.654 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.141 8.340 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.591 10.038 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.108 8.780 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.463 7.248 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.387 7.643 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.679 8.127 -5.306 1.00 0.00 H new ATOM 420 N VAL A 27 -0.656 9.254 -6.581 1.00 0.00 N ATOM 421 CA VAL A 27 0.460 8.325 -6.600 1.00 0.00 C ATOM 422 C VAL A 27 1.659 8.911 -7.343 1.00 0.00 C ATOM 423 O VAL A 27 2.807 8.657 -6.982 1.00 0.00 O ATOM 424 CB VAL A 27 0.047 6.984 -7.244 1.00 0.00 C ATOM 425 CG1 VAL A 27 -0.982 7.216 -8.337 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.253 6.236 -7.796 1.00 0.00 C ATOM 0 H VAL A 27 -1.331 9.114 -7.333 1.00 0.00 H new ATOM 0 HA VAL A 27 0.752 8.145 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.400 6.364 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.263 6.261 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.865 7.691 -7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.557 7.862 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.926 5.297 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.744 6.846 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.954 6.029 -6.987 1.00 0.00 H new ATOM 436 N HIS A 28 1.382 9.694 -8.380 1.00 0.00 N ATOM 437 CA HIS A 28 2.436 10.309 -9.182 1.00 0.00 C ATOM 438 C HIS A 28 3.398 11.110 -8.317 1.00 0.00 C ATOM 439 O HIS A 28 4.609 10.885 -8.348 1.00 0.00 O ATOM 440 CB HIS A 28 1.830 11.212 -10.253 1.00 0.00 C ATOM 441 CG HIS A 28 2.795 11.594 -11.333 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.896 10.912 -12.529 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.705 12.595 -11.397 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.824 11.477 -13.280 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.329 12.500 -12.615 1.00 0.00 N ATOM 0 H HIS A 28 0.435 9.919 -8.686 1.00 0.00 H new ATOM 0 HA HIS A 28 2.996 9.506 -9.661 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.976 10.705 -10.703 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.450 12.118 -9.780 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.903 13.331 -10.632 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.119 11.157 -14.268 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.065 13.120 -12.953 1.00 0.00 H new ATOM 454 N ARG A 29 2.860 12.048 -7.545 1.00 0.00 N ATOM 455 CA ARG A 29 3.688 12.884 -6.684 1.00 0.00 C ATOM 456 C ARG A 29 4.459 12.050 -5.665 1.00 0.00 C ATOM 457 O ARG A 29 5.487 12.487 -5.147 1.00 0.00 O ATOM 458 CB ARG A 29 2.839 13.936 -5.968 1.00 0.00 C ATOM 459 CG ARG A 29 2.590 15.185 -6.799 1.00 0.00 C ATOM 460 CD ARG A 29 1.656 14.909 -7.966 1.00 0.00 C ATOM 461 NE ARG A 29 1.452 16.095 -8.793 1.00 0.00 N ATOM 462 CZ ARG A 29 0.287 16.727 -8.904 1.00 0.00 C ATOM 463 NH1 ARG A 29 -0.775 16.290 -8.240 1.00 0.00 N ATOM 464 NH2 ARG A 29 0.184 17.798 -9.677 1.00 0.00 N ATOM 0 H ARG A 29 1.861 12.248 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 29 4.412 13.390 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.881 13.494 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.334 14.220 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.162 15.963 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.539 15.567 -7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.067 14.106 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.695 14.561 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 29 2.249 16.460 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.700 15.467 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.667 16.777 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.999 18.139 -10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.710 18.282 -9.761 1.00 0.00 H new ATOM 478 N ALA A 30 3.959 10.855 -5.376 1.00 0.00 N ATOM 479 CA ALA A 30 4.614 9.967 -4.422 1.00 0.00 C ATOM 480 C ALA A 30 5.795 9.250 -5.059 1.00 0.00 C ATOM 481 O ALA A 30 6.896 9.238 -4.515 1.00 0.00 O ATOM 482 CB ALA A 30 3.622 8.953 -3.883 1.00 0.00 C ATOM 0 H ALA A 30 3.105 10.479 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 30 4.988 10.576 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.123 8.296 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.805 9.473 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.224 8.360 -4.707 1.00 0.00 H new ATOM 488 N SER A 31 5.544 8.653 -6.217 1.00 0.00 N ATOM 489 CA SER A 31 6.565 7.915 -6.952 1.00 0.00 C ATOM 490 C SER A 31 7.826 8.749 -7.138 1.00 0.00 C ATOM 491 O SER A 31 8.936 8.268 -6.924 1.00 0.00 O ATOM 492 CB SER A 31 6.017 7.504 -8.316 1.00 0.00 C ATOM 493 OG SER A 31 5.962 8.610 -9.200 1.00 0.00 O ATOM 0 H SER A 31 4.631 8.666 -6.672 1.00 0.00 H new ATOM 0 HA SER A 31 6.826 7.029 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.647 6.724 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.020 7.080 -8.198 1.00 0.00 H new ATOM 0 HG SER A 31 5.445 9.333 -8.787 1.00 0.00 H new ATOM 499 N SER A 32 7.642 9.998 -7.538 1.00 0.00 N ATOM 500 CA SER A 32 8.739 10.906 -7.771 1.00 0.00 C ATOM 501 C SER A 32 9.585 11.127 -6.517 1.00 0.00 C ATOM 502 O SER A 32 10.777 11.404 -6.615 1.00 0.00 O ATOM 503 CB SER A 32 8.168 12.226 -8.268 1.00 0.00 C ATOM 504 OG SER A 32 6.864 12.443 -7.757 1.00 0.00 O ATOM 0 H SER A 32 6.723 10.405 -7.709 1.00 0.00 H new ATOM 0 HA SER A 32 9.402 10.470 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.821 13.045 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.140 12.226 -9.358 1.00 0.00 H new ATOM 0 HG SER A 32 6.869 12.320 -6.785 1.00 0.00 H new ATOM 510 N LYS A 33 8.963 11.033 -5.346 1.00 0.00 N ATOM 511 CA LYS A 33 9.676 11.224 -4.085 1.00 0.00 C ATOM 512 C LYS A 33 10.330 9.930 -3.600 1.00 0.00 C ATOM 513 O LYS A 33 11.505 9.909 -3.241 1.00 0.00 O ATOM 514 CB LYS A 33 8.725 11.751 -3.009 1.00 0.00 C ATOM 515 CG LYS A 33 9.437 12.297 -1.780 1.00 0.00 C ATOM 516 CD LYS A 33 8.507 12.417 -0.604 1.00 0.00 C ATOM 517 CE LYS A 33 8.597 11.182 0.267 1.00 0.00 C ATOM 518 NZ LYS A 33 8.812 9.946 -0.535 1.00 0.00 N ATOM 0 H LYS A 33 7.970 10.826 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 33 10.464 11.955 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.104 12.538 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.055 10.948 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.269 11.642 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.861 13.275 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.761 13.301 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.483 12.550 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.415 11.299 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.681 11.081 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.019 9.150 0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.955 9.735 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.613 10.088 -1.184 1.00 0.00 H new ATOM 532 N ASN A 34 9.554 8.858 -3.608 1.00 0.00 N ATOM 533 CA ASN A 34 10.013 7.549 -3.143 1.00 0.00 C ATOM 534 C ASN A 34 11.157 7.008 -3.992 1.00 0.00 C ATOM 535 O ASN A 34 12.127 6.473 -3.464 1.00 0.00 O ATOM 536 CB ASN A 34 8.855 6.547 -3.176 1.00 0.00 C ATOM 537 CG ASN A 34 7.667 6.980 -2.340 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.460 8.167 -2.096 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.870 6.009 -1.906 1.00 0.00 N ATOM 0 H ASN A 34 8.588 8.866 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 34 10.376 7.679 -2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.533 6.407 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.209 5.580 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.048 6.236 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.080 5.037 -2.133 1.00 0.00 H new ATOM 546 N LEU A 35 11.032 7.144 -5.306 1.00 0.00 N ATOM 547 CA LEU A 35 12.043 6.642 -6.229 1.00 0.00 C ATOM 548 C LEU A 35 13.456 7.063 -5.816 1.00 0.00 C ATOM 549 O LEU A 35 14.306 6.211 -5.554 1.00 0.00 O ATOM 550 CB LEU A 35 11.753 7.130 -7.644 1.00 0.00 C ATOM 551 CG LEU A 35 11.709 6.036 -8.707 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.301 5.471 -8.823 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.190 6.576 -10.044 1.00 0.00 C ATOM 0 H LEU A 35 10.239 7.599 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 35 11.997 5.553 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.797 7.653 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.514 7.858 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 35 12.377 5.228 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.283 4.692 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.998 5.049 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.611 6.267 -9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.153 5.783 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.548 7.400 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.215 6.933 -9.945 1.00 0.00 H new ATOM 565 N PRO A 36 13.727 8.380 -5.748 1.00 0.00 N ATOM 566 CA PRO A 36 15.044 8.892 -5.375 1.00 0.00 C ATOM 567 C PRO A 36 15.375 8.607 -3.918 1.00 0.00 C ATOM 568 O PRO A 36 16.539 8.550 -3.527 1.00 0.00 O ATOM 569 CB PRO A 36 14.928 10.392 -5.610 1.00 0.00 C ATOM 570 CG PRO A 36 13.475 10.682 -5.480 1.00 0.00 C ATOM 571 CD PRO A 36 12.774 9.468 -6.014 1.00 0.00 C ATOM 0 HA PRO A 36 15.842 8.422 -5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.511 10.954 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.301 10.669 -6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.203 10.867 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.201 11.573 -6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.822 9.300 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.560 9.563 -7.078 1.00 0.00 H new ATOM 579 N LEU A 37 14.327 8.432 -3.126 1.00 0.00 N ATOM 580 CA LEU A 37 14.463 8.151 -1.703 1.00 0.00 C ATOM 581 C LEU A 37 14.869 6.704 -1.464 1.00 0.00 C ATOM 582 O LEU A 37 15.401 6.357 -0.410 1.00 0.00 O ATOM 583 CB LEU A 37 13.140 8.452 -1.007 1.00 0.00 C ATOM 584 CG LEU A 37 13.098 9.786 -0.275 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.338 10.928 -1.252 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.767 9.955 0.436 1.00 0.00 C ATOM 0 H LEU A 37 13.361 8.480 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 37 15.248 8.785 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.342 8.435 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.930 7.655 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 37 13.889 9.803 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.306 11.877 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.315 10.808 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.565 10.918 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.751 10.913 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.958 9.924 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.635 9.149 1.158 1.00 0.00 H new ATOM 598 N GLY A 38 14.610 5.870 -2.458 1.00 0.00 N ATOM 599 CA GLY A 38 14.939 4.460 -2.360 1.00 0.00 C ATOM 600 C GLY A 38 13.747 3.641 -1.919 1.00 0.00 C ATOM 601 O GLY A 38 13.844 2.427 -1.735 1.00 0.00 O ATOM 0 H GLY A 38 14.174 6.145 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.291 4.100 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.757 4.325 -1.652 1.00 0.00 H new ATOM 605 N ILE A 39 12.619 4.319 -1.755 1.00 0.00 N ATOM 606 CA ILE A 39 11.385 3.679 -1.331 1.00 0.00 C ATOM 607 C ILE A 39 10.630 3.096 -2.519 1.00 0.00 C ATOM 608 O ILE A 39 10.641 3.659 -3.614 1.00 0.00 O ATOM 609 CB ILE A 39 10.471 4.686 -0.608 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.228 5.378 0.521 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.221 3.997 -0.080 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.626 6.709 0.906 1.00 0.00 C ATOM 0 H ILE A 39 12.535 5.323 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 39 11.657 2.873 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 39 10.159 5.445 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.243 4.726 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.264 5.528 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.590 4.727 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.670 3.556 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.506 3.214 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.209 7.152 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.636 7.376 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.599 6.561 1.239 1.00 0.00 H new ATOM 624 N THR A 40 9.975 1.965 -2.292 1.00 0.00 N ATOM 625 CA THR A 40 9.199 1.301 -3.331 1.00 0.00 C ATOM 626 C THR A 40 7.942 0.689 -2.743 1.00 0.00 C ATOM 627 O THR A 40 7.928 0.292 -1.581 1.00 0.00 O ATOM 628 CB THR A 40 10.012 0.194 -4.019 1.00 0.00 C ATOM 629 OG1 THR A 40 11.097 -0.210 -3.178 1.00 0.00 O ATOM 630 CG2 THR A 40 10.545 0.664 -5.363 1.00 0.00 C ATOM 0 H THR A 40 9.966 1.486 -1.392 1.00 0.00 H new ATOM 0 HA THR A 40 8.935 2.058 -4.070 1.00 0.00 H new ATOM 0 HB THR A 40 9.353 -0.657 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.898 -1.085 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.117 -0.139 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.711 0.938 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.190 1.530 -5.216 1.00 0.00 H new ATOM 638 N GLY A 41 6.881 0.609 -3.536 1.00 0.00 N ATOM 639 CA GLY A 41 5.658 0.033 -3.027 1.00 0.00 C ATOM 640 C GLY A 41 4.467 0.193 -3.944 1.00 0.00 C ATOM 641 O GLY A 41 4.612 0.406 -5.148 1.00 0.00 O ATOM 0 H GLY A 41 6.847 0.927 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.820 -1.029 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.426 0.492 -2.066 1.00 0.00 H new ATOM 645 N ILE A 42 3.285 0.087 -3.351 1.00 0.00 N ATOM 646 CA ILE A 42 2.033 0.195 -4.081 1.00 0.00 C ATOM 647 C ILE A 42 0.926 0.720 -3.177 1.00 0.00 C ATOM 648 O ILE A 42 0.970 0.550 -1.960 1.00 0.00 O ATOM 649 CB ILE A 42 1.609 -1.177 -4.656 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.128 -1.186 -5.044 1.00 0.00 C ATOM 651 CG2 ILE A 42 1.871 -2.254 -3.631 1.00 0.00 C ATOM 652 CD1 ILE A 42 -0.200 -2.141 -6.165 1.00 0.00 C ATOM 0 H ILE A 42 3.169 -0.076 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 42 2.191 0.894 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 42 2.195 -1.366 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.466 -1.449 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.167 -0.179 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.573 -3.221 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.933 -2.274 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.296 -2.045 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.267 -2.092 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.366 -1.866 -7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.063 -3.156 -5.867 1.00 0.00 H new ATOM 664 N LEU A 43 -0.058 1.357 -3.784 1.00 0.00 N ATOM 665 CA LEU A 43 -1.191 1.890 -3.056 1.00 0.00 C ATOM 666 C LEU A 43 -2.476 1.236 -3.537 1.00 0.00 C ATOM 667 O LEU A 43 -2.506 0.624 -4.605 1.00 0.00 O ATOM 668 CB LEU A 43 -1.283 3.399 -3.230 1.00 0.00 C ATOM 669 CG LEU A 43 -0.902 4.218 -2.005 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.092 5.688 -2.300 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.732 3.802 -0.800 1.00 0.00 C ATOM 0 H LEU A 43 -0.093 1.518 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.051 1.671 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.638 3.693 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.304 3.654 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 43 0.146 4.035 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.819 6.274 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.459 5.975 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.136 5.877 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.443 4.400 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.789 3.960 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.559 2.747 -0.586 1.00 0.00 H new ATOM 683 N LEU A 44 -3.526 1.353 -2.742 1.00 0.00 N ATOM 684 CA LEU A 44 -4.806 0.765 -3.088 1.00 0.00 C ATOM 685 C LEU A 44 -5.963 1.651 -2.666 1.00 0.00 C ATOM 686 O LEU A 44 -5.849 2.444 -1.736 1.00 0.00 O ATOM 687 CB LEU A 44 -4.951 -0.606 -2.437 1.00 0.00 C ATOM 688 CG LEU A 44 -4.284 -1.743 -3.193 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.835 -1.907 -2.770 1.00 0.00 C ATOM 690 CD2 LEU A 44 -5.052 -3.029 -2.981 1.00 0.00 C ATOM 0 H LEU A 44 -3.516 1.851 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.834 0.661 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.532 -0.562 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.012 -0.832 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.293 -1.500 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.384 -2.728 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.290 -0.986 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.790 -2.125 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.566 -3.837 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.072 -3.270 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.072 -2.908 -3.345 1.00 0.00 H new ATOM 702 N PHE A 45 -7.074 1.507 -3.368 1.00 0.00 N ATOM 703 CA PHE A 45 -8.277 2.265 -3.071 1.00 0.00 C ATOM 704 C PHE A 45 -9.499 1.440 -3.455 1.00 0.00 C ATOM 705 O PHE A 45 -9.559 0.891 -4.551 1.00 0.00 O ATOM 706 CB PHE A 45 -8.262 3.604 -3.812 1.00 0.00 C ATOM 707 CG PHE A 45 -9.338 4.559 -3.374 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.356 5.060 -2.082 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.326 4.964 -4.258 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.338 5.944 -1.678 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.311 5.848 -3.859 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.317 6.339 -2.568 1.00 0.00 C ATOM 0 H PHE A 45 -7.168 0.865 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.318 2.479 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.290 4.077 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.370 3.417 -4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.592 4.755 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.326 4.585 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.340 6.325 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.076 6.155 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.086 7.030 -2.255 1.00 0.00 H new ATOM 722 N ASN A 46 -10.475 1.358 -2.562 1.00 0.00 N ATOM 723 CA ASN A 46 -11.669 0.573 -2.828 1.00 0.00 C ATOM 724 C ASN A 46 -12.896 1.466 -2.810 1.00 0.00 C ATOM 725 O ASN A 46 -14.029 0.993 -2.905 1.00 0.00 O ATOM 726 CB ASN A 46 -11.812 -0.543 -1.790 1.00 0.00 C ATOM 727 CG ASN A 46 -12.319 -0.032 -0.456 1.00 0.00 C ATOM 728 OD1 ASN A 46 -13.524 -0.006 -0.206 1.00 0.00 O ATOM 729 ND2 ASN A 46 -11.400 0.382 0.409 1.00 0.00 N ATOM 0 H ASN A 46 -10.463 1.822 -1.654 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.578 0.121 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.497 -1.302 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.846 -1.028 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.683 0.739 1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.411 0.343 0.161 1.00 0.00 H new ATOM 736 N GLY A 47 -12.656 2.767 -2.686 1.00 0.00 N ATOM 737 CA GLY A 47 -13.745 3.715 -2.651 1.00 0.00 C ATOM 738 C GLY A 47 -13.988 4.253 -1.262 1.00 0.00 C ATOM 739 O GLY A 47 -14.905 5.045 -1.045 1.00 0.00 O ATOM 0 H GLY A 47 -11.726 3.178 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.526 4.542 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.653 3.236 -3.017 1.00 0.00 H new ATOM 743 N LEU A 48 -13.164 3.819 -0.320 1.00 0.00 N ATOM 744 CA LEU A 48 -13.295 4.257 1.058 1.00 0.00 C ATOM 745 C LEU A 48 -11.960 4.188 1.788 1.00 0.00 C ATOM 746 O LEU A 48 -11.640 5.070 2.581 1.00 0.00 O ATOM 747 CB LEU A 48 -14.331 3.389 1.783 1.00 0.00 C ATOM 748 CG LEU A 48 -14.923 3.980 3.071 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.902 3.959 4.198 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.427 5.398 2.833 1.00 0.00 C ATOM 0 H LEU A 48 -12.399 3.165 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.626 5.295 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.149 3.182 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.868 2.432 2.025 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.769 3.360 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.346 4.383 5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.596 2.931 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.031 4.548 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.842 5.797 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.600 6.028 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.200 5.385 2.065 1.00 0.00 H new ATOM 762 N GLN A 49 -11.175 3.151 1.509 1.00 0.00 N ATOM 763 CA GLN A 49 -9.892 2.978 2.186 1.00 0.00 C ATOM 764 C GLN A 49 -8.691 3.071 1.247 1.00 0.00 C ATOM 765 O GLN A 49 -8.816 2.947 0.030 1.00 0.00 O ATOM 766 CB GLN A 49 -9.860 1.628 2.904 1.00 0.00 C ATOM 767 CG GLN A 49 -10.906 1.486 3.994 1.00 0.00 C ATOM 768 CD GLN A 49 -11.148 0.040 4.381 1.00 0.00 C ATOM 769 OE1 GLN A 49 -12.012 -0.629 3.814 1.00 0.00 O ATOM 770 NE2 GLN A 49 -10.384 -0.449 5.350 1.00 0.00 N ATOM 0 H GLN A 49 -11.400 2.426 0.828 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.809 3.800 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.003 0.834 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.872 1.483 3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.588 2.046 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.842 1.930 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.680 0.142 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.501 -1.416 5.653 1.00 0.00 H new ATOM 779 N PHE A 50 -7.523 3.289 1.854 1.00 0.00 N ATOM 780 CA PHE A 50 -6.256 3.382 1.131 1.00 0.00 C ATOM 781 C PHE A 50 -5.240 2.426 1.735 1.00 0.00 C ATOM 782 O PHE A 50 -4.754 2.649 2.842 1.00 0.00 O ATOM 783 CB PHE A 50 -5.678 4.791 1.206 1.00 0.00 C ATOM 784 CG PHE A 50 -6.102 5.708 0.097 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.691 5.485 -1.211 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.896 6.808 0.365 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.069 6.338 -2.218 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.275 7.665 -0.640 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.860 7.428 -1.933 1.00 0.00 C ATOM 0 H PHE A 50 -7.430 3.406 2.863 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.456 3.126 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.968 5.237 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.590 4.722 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.068 4.632 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.222 6.996 1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.746 6.154 -3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.895 8.521 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.156 8.100 -2.725 1.00 0.00 H new ATOM 799 N PHE A 51 -4.915 1.370 1.013 1.00 0.00 N ATOM 800 CA PHE A 51 -3.943 0.403 1.496 1.00 0.00 C ATOM 801 C PHE A 51 -2.593 0.690 0.869 1.00 0.00 C ATOM 802 O PHE A 51 -2.529 1.055 -0.296 1.00 0.00 O ATOM 803 CB PHE A 51 -4.390 -1.009 1.157 1.00 0.00 C ATOM 804 CG PHE A 51 -3.369 -2.047 1.502 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.299 -2.566 2.777 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.474 -2.495 0.549 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.355 -3.516 3.095 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.527 -3.447 0.860 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.465 -3.959 2.133 1.00 0.00 C ATOM 0 H PHE A 51 -5.306 1.159 0.095 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.862 0.487 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.316 -1.228 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.613 -1.067 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.991 -2.224 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.517 -2.094 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.309 -3.916 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.835 -3.790 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.724 -4.705 2.382 1.00 0.00 H new ATOM 819 N GLN A 52 -1.505 0.514 1.610 1.00 0.00 N ATOM 820 CA GLN A 52 -0.207 0.810 1.038 1.00 0.00 C ATOM 821 C GLN A 52 0.899 -0.112 1.509 1.00 0.00 C ATOM 822 O GLN A 52 1.119 -0.298 2.705 1.00 0.00 O ATOM 823 CB GLN A 52 0.206 2.244 1.344 1.00 0.00 C ATOM 824 CG GLN A 52 1.351 2.718 0.467 1.00 0.00 C ATOM 825 CD GLN A 52 1.843 4.097 0.833 1.00 0.00 C ATOM 826 OE1 GLN A 52 2.691 4.254 1.707 1.00 0.00 O ATOM 827 NE2 GLN A 52 1.317 5.106 0.158 1.00 0.00 N ATOM 0 H GLN A 52 -1.497 0.180 2.574 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.332 0.658 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.651 2.903 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.499 2.319 2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.177 2.011 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.028 2.718 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.615 4.928 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.614 6.062 0.356 1.00 0.00 H new ATOM 836 N VAL A 53 1.594 -0.671 0.534 1.00 0.00 N ATOM 837 CA VAL A 53 2.743 -1.518 0.794 1.00 0.00 C ATOM 838 C VAL A 53 3.985 -0.669 0.591 1.00 0.00 C ATOM 839 O VAL A 53 4.328 -0.332 -0.537 1.00 0.00 O ATOM 840 CB VAL A 53 2.808 -2.738 -0.145 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.217 -3.318 -0.182 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.808 -3.789 0.288 1.00 0.00 C ATOM 0 H VAL A 53 1.379 -0.551 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 53 2.668 -1.905 1.810 1.00 0.00 H new ATOM 0 HB VAL A 53 2.552 -2.411 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.239 -4.178 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.913 -2.560 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.508 -3.631 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.865 -4.645 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.035 -4.110 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.802 -3.369 0.256 1.00 0.00 H new ATOM 852 N LEU A 54 4.646 -0.315 1.673 1.00 0.00 N ATOM 853 CA LEU A 54 5.824 0.539 1.581 1.00 0.00 C ATOM 854 C LEU A 54 7.106 -0.226 1.882 1.00 0.00 C ATOM 855 O LEU A 54 7.180 -0.984 2.847 1.00 0.00 O ATOM 856 CB LEU A 54 5.676 1.723 2.538 1.00 0.00 C ATOM 857 CG LEU A 54 6.305 3.035 2.072 1.00 0.00 C ATOM 858 CD1 LEU A 54 5.553 3.606 0.873 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.323 4.032 3.217 1.00 0.00 C ATOM 0 H LEU A 54 4.396 -0.599 2.620 1.00 0.00 H new ATOM 0 HA LEU A 54 5.897 0.902 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.614 1.893 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.118 1.450 3.496 1.00 0.00 H new ATOM 0 HG LEU A 54 7.330 2.837 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.021 4.540 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.584 2.892 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.516 3.795 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.773 4.966 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.303 4.220 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.907 3.626 4.043 1.00 0.00 H new ATOM 871 N GLU A 55 8.114 -0.011 1.043 1.00 0.00 N ATOM 872 CA GLU A 55 9.409 -0.663 1.198 1.00 0.00 C ATOM 873 C GLU A 55 10.513 0.376 1.358 1.00 0.00 C ATOM 874 O GLU A 55 10.388 1.500 0.881 1.00 0.00 O ATOM 875 CB GLU A 55 9.705 -1.543 -0.015 1.00 0.00 C ATOM 876 CG GLU A 55 8.550 -2.452 -0.403 1.00 0.00 C ATOM 877 CD GLU A 55 8.680 -3.850 0.172 1.00 0.00 C ATOM 878 OE1 GLU A 55 9.806 -4.236 0.549 1.00 0.00 O ATOM 879 OE2 GLU A 55 7.654 -4.559 0.241 1.00 0.00 O ATOM 0 H GLU A 55 8.057 0.616 0.241 1.00 0.00 H new ATOM 0 HA GLU A 55 9.375 -1.285 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.956 -0.906 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.583 -2.154 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.615 -2.009 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.493 -2.515 -1.490 1.00 0.00 H new ATOM 886 N GLY A 56 11.596 -0.007 2.020 1.00 0.00 N ATOM 887 CA GLY A 56 12.697 0.912 2.228 1.00 0.00 C ATOM 888 C GLY A 56 13.198 0.897 3.655 1.00 0.00 C ATOM 889 O GLY A 56 12.619 0.234 4.513 1.00 0.00 O ATOM 0 H GLY A 56 11.732 -0.937 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.515 0.653 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.378 1.921 1.968 1.00 0.00 H new ATOM 893 N THR A 57 14.276 1.630 3.912 1.00 0.00 N ATOM 894 CA THR A 57 14.849 1.694 5.250 1.00 0.00 C ATOM 895 C THR A 57 13.800 2.097 6.276 1.00 0.00 C ATOM 896 O THR A 57 12.960 2.958 6.020 1.00 0.00 O ATOM 897 CB THR A 57 16.029 2.677 5.314 1.00 0.00 C ATOM 898 OG1 THR A 57 15.749 3.837 4.521 1.00 0.00 O ATOM 899 CG2 THR A 57 17.302 2.009 4.826 1.00 0.00 C ATOM 0 H THR A 57 14.769 2.186 3.213 1.00 0.00 H new ATOM 0 HA THR A 57 15.215 0.695 5.485 1.00 0.00 H new ATOM 0 HB THR A 57 16.170 2.982 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.506 4.457 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.128 2.718 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.524 1.147 5.455 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.169 1.682 3.795 1.00 0.00 H new ATOM 907 N GLU A 58 13.862 1.458 7.439 1.00 0.00 N ATOM 908 CA GLU A 58 12.921 1.721 8.522 1.00 0.00 C ATOM 909 C GLU A 58 12.846 3.210 8.844 1.00 0.00 C ATOM 910 O GLU A 58 11.840 3.692 9.361 1.00 0.00 O ATOM 911 CB GLU A 58 13.337 0.947 9.773 1.00 0.00 C ATOM 912 CG GLU A 58 12.196 0.711 10.748 1.00 0.00 C ATOM 913 CD GLU A 58 12.682 0.290 12.121 1.00 0.00 C ATOM 914 OE1 GLU A 58 13.034 1.178 12.925 1.00 0.00 O ATOM 915 OE2 GLU A 58 12.709 -0.929 12.394 1.00 0.00 O ATOM 0 H GLU A 58 14.561 0.748 7.657 1.00 0.00 H new ATOM 0 HA GLU A 58 11.934 1.392 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.753 -0.015 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.131 1.494 10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.606 1.623 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.535 -0.058 10.349 1.00 0.00 H new ATOM 922 N GLU A 59 13.921 3.929 8.539 1.00 0.00 N ATOM 923 CA GLU A 59 13.978 5.363 8.795 1.00 0.00 C ATOM 924 C GLU A 59 13.124 6.137 7.804 1.00 0.00 C ATOM 925 O GLU A 59 12.509 7.147 8.145 1.00 0.00 O ATOM 926 CB GLU A 59 15.412 5.857 8.745 1.00 0.00 C ATOM 927 CG GLU A 59 16.133 5.531 7.448 1.00 0.00 C ATOM 928 CD GLU A 59 17.546 6.081 7.410 1.00 0.00 C ATOM 929 OE1 GLU A 59 18.458 5.412 7.941 1.00 0.00 O ATOM 930 OE2 GLU A 59 17.740 7.180 6.849 1.00 0.00 O ATOM 0 H GLU A 59 14.764 3.542 8.114 1.00 0.00 H new ATOM 0 HA GLU A 59 13.578 5.536 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.419 6.937 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.965 5.420 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.165 4.449 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.567 5.937 6.610 1.00 0.00 H new ATOM 937 N ALA A 60 13.093 5.649 6.578 1.00 0.00 N ATOM 938 CA ALA A 60 12.316 6.276 5.520 1.00 0.00 C ATOM 939 C ALA A 60 10.837 5.969 5.698 1.00 0.00 C ATOM 940 O ALA A 60 9.984 6.836 5.513 1.00 0.00 O ATOM 941 CB ALA A 60 12.799 5.805 4.157 1.00 0.00 C ATOM 0 H ALA A 60 13.601 4.814 6.287 1.00 0.00 H new ATOM 0 HA ALA A 60 12.454 7.356 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.208 6.283 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.849 6.071 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.687 4.723 4.085 1.00 0.00 H new ATOM 947 N LEU A 61 10.542 4.724 6.058 1.00 0.00 N ATOM 948 CA LEU A 61 9.168 4.294 6.267 1.00 0.00 C ATOM 949 C LEU A 61 8.519 5.041 7.420 1.00 0.00 C ATOM 950 O LEU A 61 7.390 5.501 7.306 1.00 0.00 O ATOM 951 CB LEU A 61 9.116 2.798 6.539 1.00 0.00 C ATOM 952 CG LEU A 61 9.926 1.940 5.571 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.785 0.466 5.904 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.485 2.192 4.143 1.00 0.00 C ATOM 0 H LEU A 61 11.239 3.995 6.211 1.00 0.00 H new ATOM 0 HA LEU A 61 8.614 4.519 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.475 2.615 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.076 2.473 6.506 1.00 0.00 H new ATOM 0 HG LEU A 61 10.975 2.218 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.372 -0.124 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.145 0.286 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.737 0.176 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.073 1.572 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.429 1.942 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.636 3.243 3.896 1.00 0.00 H new ATOM 966 N GLU A 62 9.229 5.149 8.533 1.00 0.00 N ATOM 967 CA GLU A 62 8.709 5.841 9.704 1.00 0.00 C ATOM 968 C GLU A 62 8.248 7.246 9.343 1.00 0.00 C ATOM 969 O GLU A 62 7.085 7.602 9.529 1.00 0.00 O ATOM 970 CB GLU A 62 9.789 5.917 10.779 1.00 0.00 C ATOM 971 CG GLU A 62 9.269 6.356 12.138 1.00 0.00 C ATOM 972 CD GLU A 62 10.353 6.375 13.197 1.00 0.00 C ATOM 973 OE1 GLU A 62 11.070 7.392 13.296 1.00 0.00 O ATOM 974 OE2 GLU A 62 10.484 5.372 13.930 1.00 0.00 O ATOM 0 H GLU A 62 10.167 4.766 8.651 1.00 0.00 H new ATOM 0 HA GLU A 62 7.853 5.282 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.259 4.939 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.564 6.612 10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.832 7.351 12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.471 5.684 12.452 1.00 0.00 H new ATOM 981 N SER A 63 9.177 8.031 8.823 1.00 0.00 N ATOM 982 CA SER A 63 8.902 9.407 8.429 1.00 0.00 C ATOM 983 C SER A 63 7.786 9.499 7.392 1.00 0.00 C ATOM 984 O SER A 63 6.866 10.302 7.530 1.00 0.00 O ATOM 985 CB SER A 63 10.164 10.046 7.857 1.00 0.00 C ATOM 986 OG SER A 63 11.159 10.196 8.854 1.00 0.00 O ATOM 0 H SER A 63 10.140 7.736 8.662 1.00 0.00 H new ATOM 0 HA SER A 63 8.577 9.938 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.550 9.431 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.921 11.020 7.432 1.00 0.00 H new ATOM 0 HG SER A 63 11.957 10.606 8.460 1.00 0.00 H new ATOM 992 N LEU A 64 7.869 8.662 6.364 1.00 0.00 N ATOM 993 CA LEU A 64 6.893 8.665 5.284 1.00 0.00 C ATOM 994 C LEU A 64 5.513 8.337 5.818 1.00 0.00 C ATOM 995 O LEU A 64 4.579 9.121 5.691 1.00 0.00 O ATOM 996 CB LEU A 64 7.319 7.647 4.226 1.00 0.00 C ATOM 997 CG LEU A 64 6.739 7.846 2.824 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.267 7.525 2.811 1.00 0.00 C ATOM 999 CD2 LEU A 64 6.953 9.266 2.342 1.00 0.00 C ATOM 0 H LEU A 64 8.609 7.968 6.257 1.00 0.00 H new ATOM 0 HA LEU A 64 6.850 9.656 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.406 7.664 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.039 6.653 4.575 1.00 0.00 H new ATOM 0 HG LEU A 64 7.261 7.167 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.871 7.672 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.118 6.488 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.745 8.183 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.531 9.379 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.461 9.960 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.021 9.483 2.311 1.00 0.00 H new ATOM 1011 N PHE A 65 5.405 7.168 6.411 1.00 0.00 N ATOM 1012 CA PHE A 65 4.162 6.697 6.991 1.00 0.00 C ATOM 1013 C PHE A 65 3.613 7.724 7.979 1.00 0.00 C ATOM 1014 O PHE A 65 2.396 7.840 8.166 1.00 0.00 O ATOM 1015 CB PHE A 65 4.448 5.343 7.647 1.00 0.00 C ATOM 1016 CG PHE A 65 3.427 4.843 8.616 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.097 4.791 8.270 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.813 4.393 9.867 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.156 4.301 9.155 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.881 3.907 10.760 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.550 3.860 10.404 1.00 0.00 C ATOM 0 H PHE A 65 6.181 6.512 6.506 1.00 0.00 H new ATOM 0 HA PHE A 65 3.391 6.570 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.563 4.599 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.405 5.410 8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.785 5.137 7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.856 4.423 10.147 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.115 4.263 8.871 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.193 3.564 11.735 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.817 3.479 11.100 1.00 0.00 H new ATOM 1031 N SER A 66 4.514 8.491 8.588 1.00 0.00 N ATOM 1032 CA SER A 66 4.109 9.525 9.531 1.00 0.00 C ATOM 1033 C SER A 66 3.622 10.754 8.776 1.00 0.00 C ATOM 1034 O SER A 66 2.832 11.542 9.298 1.00 0.00 O ATOM 1035 CB SER A 66 5.262 9.896 10.465 1.00 0.00 C ATOM 1036 OG SER A 66 5.595 8.817 11.319 1.00 0.00 O ATOM 0 H SER A 66 5.521 8.416 8.446 1.00 0.00 H new ATOM 0 HA SER A 66 3.294 9.136 10.141 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.134 10.180 9.876 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.985 10.764 11.063 1.00 0.00 H new ATOM 0 HG SER A 66 6.180 8.191 10.843 1.00 0.00 H new ATOM 1042 N GLU A 67 4.099 10.915 7.543 1.00 0.00 N ATOM 1043 CA GLU A 67 3.686 12.027 6.711 1.00 0.00 C ATOM 1044 C GLU A 67 2.284 11.755 6.215 1.00 0.00 C ATOM 1045 O GLU A 67 1.485 12.664 5.994 1.00 0.00 O ATOM 1046 CB GLU A 67 4.631 12.174 5.526 1.00 0.00 C ATOM 1047 CG GLU A 67 6.036 12.599 5.912 1.00 0.00 C ATOM 1048 CD GLU A 67 6.331 14.042 5.554 1.00 0.00 C ATOM 1049 OE1 GLU A 67 6.058 14.929 6.389 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.836 14.287 4.437 1.00 0.00 O ATOM 0 H GLU A 67 4.771 10.286 7.104 1.00 0.00 H new ATOM 0 HA GLU A 67 3.710 12.951 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.682 11.224 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.218 12.906 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.171 12.460 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.757 11.951 5.414 1.00 0.00 H new ATOM 1057 N ILE A 68 2.013 10.471 6.047 1.00 0.00 N ATOM 1058 CA ILE A 68 0.731 9.996 5.593 1.00 0.00 C ATOM 1059 C ILE A 68 -0.361 10.346 6.583 1.00 0.00 C ATOM 1060 O ILE A 68 -1.309 11.034 6.234 1.00 0.00 O ATOM 1061 CB ILE A 68 0.800 8.479 5.363 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.303 8.205 3.950 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.544 7.796 5.595 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.441 9.093 3.525 1.00 0.00 C ATOM 0 H ILE A 68 2.688 9.728 6.226 1.00 0.00 H new ATOM 0 HA ILE A 68 0.485 10.487 4.651 1.00 0.00 H new ATOM 0 HB ILE A 68 1.494 8.059 6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.622 7.165 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.477 8.330 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.443 6.725 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.866 7.967 6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.284 8.208 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.743 8.837 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.121 10.135 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.285 8.952 4.200 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.219 9.898 7.828 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.241 10.172 8.831 1.00 0.00 C ATOM 1078 C GLN A 69 -1.465 11.676 8.999 1.00 0.00 C ATOM 1079 O GLN A 69 -2.415 12.099 9.658 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.877 9.532 10.167 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.458 8.074 10.061 1.00 0.00 C ATOM 1082 CD GLN A 69 -0.100 7.480 11.410 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.681 7.839 12.433 1.00 0.00 O ATOM 1084 NE2 GLN A 69 0.871 6.575 11.418 1.00 0.00 N ATOM 0 H GLN A 69 0.577 9.354 8.161 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.174 9.730 8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.065 10.100 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.732 9.606 10.838 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.268 7.497 9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.398 7.992 9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.326 6.307 10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.163 6.148 12.297 1.00 0.00 H new ATOM 1093 N SER A 70 -0.587 12.476 8.400 1.00 0.00 N ATOM 1094 CA SER A 70 -0.697 13.931 8.472 1.00 0.00 C ATOM 1095 C SER A 70 -1.352 14.488 7.208 1.00 0.00 C ATOM 1096 O SER A 70 -1.299 15.690 6.945 1.00 0.00 O ATOM 1097 CB SER A 70 0.685 14.556 8.653 1.00 0.00 C ATOM 1098 OG SER A 70 1.322 14.065 9.820 1.00 0.00 O ATOM 0 H SER A 70 0.210 12.141 7.858 1.00 0.00 H new ATOM 0 HA SER A 70 -1.321 14.183 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.302 14.339 7.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.591 15.640 8.716 1.00 0.00 H new ATOM 0 HG SER A 70 1.803 13.238 9.607 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.973 13.603 6.434 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.637 13.988 5.191 1.00 0.00 C ATOM 1106 C ASP A 71 -4.113 14.308 5.436 1.00 0.00 C ATOM 1107 O ASP A 71 -4.729 13.754 6.347 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.499 12.866 4.161 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.660 13.275 2.966 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -2.189 13.978 2.080 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.471 12.894 2.918 1.00 0.00 O ATOM 0 H ASP A 71 -2.031 12.607 6.647 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.158 14.888 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.048 11.994 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.490 12.566 3.820 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.702 15.211 4.625 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.097 15.618 4.771 1.00 0.00 C ATOM 1118 C PRO A 72 -7.083 14.779 3.953 1.00 0.00 C ATOM 1119 O PRO A 72 -8.288 15.029 3.994 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.064 17.049 4.249 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.025 17.035 3.173 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.052 15.926 3.510 1.00 0.00 C ATOM 0 HA PRO A 72 -6.447 15.500 5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.036 17.351 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.806 17.753 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.482 16.864 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.512 17.995 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.885 15.268 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.080 16.323 3.802 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.584 13.790 3.215 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.456 12.947 2.401 1.00 0.00 C ATOM 1132 C ARG A 73 -8.001 11.778 3.212 1.00 0.00 C ATOM 1133 O ARG A 73 -9.155 11.796 3.638 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.706 12.436 1.176 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.551 11.568 0.260 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.957 11.512 -1.134 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.680 12.850 -1.648 1.00 0.00 N ATOM 1138 CZ ARG A 73 -5.826 13.115 -2.631 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -5.156 12.136 -3.214 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -5.641 14.366 -3.029 1.00 0.00 N ATOM 0 H ARG A 73 -5.593 13.554 3.164 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.300 13.553 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.330 13.288 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.838 11.864 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.621 10.561 0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.565 11.964 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.036 10.930 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.646 10.998 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.175 13.634 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.293 11.172 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.502 12.344 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.154 15.125 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.985 14.569 -3.784 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.172 10.757 3.415 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.577 9.593 4.191 1.00 0.00 C ATOM 1156 C HIS A 74 -7.832 10.000 5.642 1.00 0.00 C ATOM 1157 O HIS A 74 -8.057 11.178 5.926 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.497 8.521 4.138 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.171 8.990 4.639 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -4.906 9.219 5.968 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.028 9.271 3.980 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -3.655 9.617 6.097 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.101 9.658 4.907 1.00 0.00 N ATOM 0 H HIS A 74 -6.219 10.714 3.053 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.495 9.189 3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.818 7.663 4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.387 8.177 3.110 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.873 9.203 2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.167 9.868 7.027 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.139 9.933 4.708 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.795 9.042 6.566 1.00 0.00 N ATOM 1173 CA ARG A 75 -8.030 9.373 7.969 1.00 0.00 C ATOM 1174 C ARG A 75 -7.524 8.304 8.943 1.00 0.00 C ATOM 1175 O ARG A 75 -6.668 8.577 9.784 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.525 9.605 8.194 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.400 8.538 7.562 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.808 9.037 7.274 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.269 10.011 8.262 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.411 10.684 8.155 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.201 10.492 7.108 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -13.764 11.549 9.096 1.00 0.00 N ATOM 0 H ARG A 75 -7.610 8.057 6.377 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.460 10.279 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.723 9.640 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.800 10.578 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.941 8.199 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.452 7.675 8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.834 9.489 6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.494 8.190 7.256 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.682 10.184 9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.933 9.827 6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.076 11.009 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.159 11.699 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.640 12.064 9.012 1.00 0.00 H new ATOM 1196 N ASP A 76 -8.056 7.094 8.825 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.704 6.005 9.735 1.00 0.00 C ATOM 1198 C ASP A 76 -6.489 5.200 9.297 1.00 0.00 C ATOM 1199 O ASP A 76 -6.519 3.968 9.305 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.892 5.070 9.886 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.809 4.211 11.133 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -9.187 4.702 12.218 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.367 3.048 11.026 1.00 0.00 O ATOM 0 H ASP A 76 -8.734 6.839 8.107 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.441 6.473 10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.810 5.658 9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.955 4.425 9.010 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.422 5.879 8.923 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.205 5.179 8.532 1.00 0.00 C ATOM 1210 C VAL A 77 -3.570 4.546 9.753 1.00 0.00 C ATOM 1211 O VAL A 77 -3.145 5.231 10.685 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.190 6.095 7.822 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.340 7.510 8.302 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.766 5.610 8.004 1.00 0.00 C ATOM 0 H VAL A 77 -5.368 6.897 8.880 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.489 4.410 7.814 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.405 6.062 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.617 8.146 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.349 7.862 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.164 7.550 9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.083 6.285 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.522 5.589 9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.668 4.607 7.590 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.522 3.234 9.733 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.961 2.464 10.822 1.00 0.00 C ATOM 1226 C VAL A 78 -1.884 1.516 10.313 1.00 0.00 C ATOM 1227 O VAL A 78 -2.038 0.897 9.262 1.00 0.00 O ATOM 1228 CB VAL A 78 -4.065 1.664 11.534 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.795 0.761 10.551 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -3.494 0.861 12.692 1.00 0.00 C ATOM 0 H VAL A 78 -3.871 2.668 8.960 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.509 3.158 11.531 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.787 2.371 11.943 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.572 0.204 11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.250 1.368 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.087 0.063 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.295 0.304 13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.744 0.165 12.317 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.033 1.538 13.412 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.787 1.420 11.054 1.00 0.00 N ATOM 1241 CA GLU A 79 0.310 0.546 10.670 1.00 0.00 C ATOM 1242 C GLU A 79 -0.141 -0.905 10.657 1.00 0.00 C ATOM 1243 O GLU A 79 -0.539 -1.463 11.680 1.00 0.00 O ATOM 1244 CB GLU A 79 1.479 0.706 11.624 1.00 0.00 C ATOM 1245 CG GLU A 79 2.819 0.343 11.010 1.00 0.00 C ATOM 1246 CD GLU A 79 3.393 -0.936 11.585 1.00 0.00 C ATOM 1247 OE1 GLU A 79 2.970 -2.025 11.147 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.264 -0.849 12.476 1.00 0.00 O ATOM 0 H GLU A 79 -0.635 1.935 11.921 1.00 0.00 H new ATOM 0 HA GLU A 79 0.629 0.828 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.516 1.739 11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.310 0.081 12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.703 0.233 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.523 1.159 11.173 1.00 0.00 H new ATOM 1255 N LEU A 80 -0.067 -1.498 9.483 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.459 -2.882 9.279 1.00 0.00 C ATOM 1257 C LEU A 80 0.744 -3.799 9.374 1.00 0.00 C ATOM 1258 O LEU A 80 0.663 -4.901 9.916 1.00 0.00 O ATOM 1259 CB LEU A 80 -1.100 -3.036 7.902 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.625 -2.977 7.872 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -3.124 -1.717 8.556 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -3.117 -3.028 6.436 1.00 0.00 C ATOM 0 H LEU A 80 0.268 -1.034 8.639 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.174 -3.156 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.711 -2.253 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.783 -3.989 7.478 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.019 -3.838 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.213 -1.693 8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.791 -1.710 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.727 -0.842 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.206 -2.985 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.714 -2.180 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.784 -3.956 5.970 1.00 0.00 H new ATOM 1274 N MET A 81 1.865 -3.334 8.840 1.00 0.00 N ATOM 1275 CA MET A 81 3.079 -4.127 8.842 1.00 0.00 C ATOM 1276 C MET A 81 4.330 -3.277 8.923 1.00 0.00 C ATOM 1277 O MET A 81 4.296 -2.062 8.747 1.00 0.00 O ATOM 1278 CB MET A 81 3.129 -4.961 7.572 1.00 0.00 C ATOM 1279 CG MET A 81 3.817 -6.291 7.745 1.00 0.00 C ATOM 1280 SD MET A 81 4.339 -7.003 6.178 1.00 0.00 S ATOM 1281 CE MET A 81 5.466 -5.745 5.586 1.00 0.00 C ATOM 0 H MET A 81 1.956 -2.417 8.403 1.00 0.00 H new ATOM 0 HA MET A 81 3.055 -4.760 9.729 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.112 -5.132 7.220 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.644 -4.394 6.796 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.686 -6.166 8.391 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.142 -6.983 8.248 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.381 -5.661 4.503 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.217 -4.788 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.488 -6.019 5.849 1.00 0.00 H new ATOM 1291 N ARG A 82 5.428 -3.951 9.214 1.00 0.00 N ATOM 1292 CA ARG A 82 6.735 -3.332 9.294 1.00 0.00 C ATOM 1293 C ARG A 82 7.763 -4.374 9.658 1.00 0.00 C ATOM 1294 O ARG A 82 7.941 -4.731 10.822 1.00 0.00 O ATOM 1295 CB ARG A 82 6.770 -2.177 10.274 1.00 0.00 C ATOM 1296 CG ARG A 82 7.268 -0.896 9.631 1.00 0.00 C ATOM 1297 CD ARG A 82 7.508 0.209 10.646 1.00 0.00 C ATOM 1298 NE ARG A 82 6.279 0.665 11.291 1.00 0.00 N ATOM 1299 CZ ARG A 82 6.209 1.763 12.040 1.00 0.00 C ATOM 1300 NH1 ARG A 82 7.287 2.516 12.217 1.00 0.00 N ATOM 1301 NH2 ARG A 82 5.064 2.110 12.612 1.00 0.00 N ATOM 0 H ARG A 82 5.436 -4.953 9.403 1.00 0.00 H new ATOM 0 HA ARG A 82 6.967 -2.914 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.771 -2.014 10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.415 -2.435 11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.194 -1.099 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.540 -0.556 8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.201 -0.148 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.987 1.053 10.150 1.00 0.00 H new ATOM 0 HE ARG A 82 5.431 0.114 11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.170 2.254 11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.233 3.357 12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.232 1.535 12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.015 2.952 13.185 1.00 0.00 H new ATOM 1315 N ASP A 83 8.432 -4.847 8.634 1.00 0.00 N ATOM 1316 CA ASP A 83 9.438 -5.895 8.791 1.00 0.00 C ATOM 1317 C ASP A 83 10.707 -5.591 8.013 1.00 0.00 C ATOM 1318 O ASP A 83 10.664 -5.017 6.929 1.00 0.00 O ATOM 1319 CB ASP A 83 8.868 -7.231 8.321 1.00 0.00 C ATOM 1320 CG ASP A 83 9.759 -8.404 8.681 1.00 0.00 C ATOM 1321 OD1 ASP A 83 9.598 -8.953 9.791 1.00 0.00 O ATOM 1322 OD2 ASP A 83 10.619 -8.773 7.852 1.00 0.00 O ATOM 0 H ASP A 83 8.304 -4.527 7.674 1.00 0.00 H new ATOM 0 HA ASP A 83 9.696 -5.943 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.883 -7.378 8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.730 -7.203 7.240 1.00 0.00 H new ATOM 1327 N TYR A 84 11.838 -6.002 8.572 1.00 0.00 N ATOM 1328 CA TYR A 84 13.126 -5.786 7.933 1.00 0.00 C ATOM 1329 C TYR A 84 13.211 -6.555 6.620 1.00 0.00 C ATOM 1330 O TYR A 84 12.454 -7.501 6.396 1.00 0.00 O ATOM 1331 CB TYR A 84 14.248 -6.215 8.872 1.00 0.00 C ATOM 1332 CG TYR A 84 14.419 -5.260 10.021 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.627 -3.914 9.782 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.356 -5.695 11.337 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.774 -3.021 10.815 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.503 -4.805 12.385 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.712 -3.467 12.118 1.00 0.00 C ATOM 1338 OH TYR A 84 14.859 -2.575 13.156 1.00 0.00 O ATOM 0 H TYR A 84 11.888 -6.487 9.468 1.00 0.00 H new ATOM 0 HA TYR A 84 13.233 -4.724 7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 84 14.036 -7.212 9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.182 -6.281 8.314 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.675 -3.558 8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.190 -6.742 11.545 1.00 0.00 H new ATOM 0 HE1 TYR A 84 14.937 -1.974 10.607 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.455 -5.154 13.406 1.00 0.00 H new ATOM 0 HH TYR A 84 14.176 -1.876 13.085 1.00 0.00 H new ATOM 1348 N SER A 85 14.133 -6.151 5.755 1.00 0.00 N ATOM 1349 CA SER A 85 14.303 -6.802 4.464 1.00 0.00 C ATOM 1350 C SER A 85 15.705 -6.580 3.921 1.00 0.00 C ATOM 1351 O SER A 85 16.466 -5.762 4.440 1.00 0.00 O ATOM 1352 CB SER A 85 13.266 -6.285 3.466 1.00 0.00 C ATOM 1353 OG SER A 85 11.951 -6.616 3.877 1.00 0.00 O ATOM 0 H SER A 85 14.774 -5.376 5.925 1.00 0.00 H new ATOM 0 HA SER A 85 14.156 -7.873 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.358 -5.203 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.460 -6.711 2.482 1.00 0.00 H new ATOM 0 HG SER A 85 11.310 -6.026 3.428 1.00 0.00 H new ATOM 1359 N ALA A 86 16.035 -7.317 2.870 1.00 0.00 N ATOM 1360 CA ALA A 86 17.346 -7.225 2.252 1.00 0.00 C ATOM 1361 C ALA A 86 17.235 -7.036 0.746 1.00 0.00 C ATOM 1362 O ALA A 86 18.241 -7.024 0.036 1.00 0.00 O ATOM 1363 CB ALA A 86 18.135 -8.478 2.566 1.00 0.00 C ATOM 0 H ALA A 86 15.408 -7.988 2.427 1.00 0.00 H new ATOM 0 HA ALA A 86 17.862 -6.354 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.120 -8.413 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.247 -8.577 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.607 -9.348 2.175 1.00 0.00 H new ATOM 1369 N TYR A 87 16.008 -6.892 0.266 1.00 0.00 N ATOM 1370 CA TYR A 87 15.766 -6.720 -1.158 1.00 0.00 C ATOM 1371 C TYR A 87 14.447 -5.998 -1.417 1.00 0.00 C ATOM 1372 O TYR A 87 13.499 -6.110 -0.639 1.00 0.00 O ATOM 1373 CB TYR A 87 15.763 -8.083 -1.853 1.00 0.00 C ATOM 1374 CG TYR A 87 15.004 -9.149 -1.094 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.547 -9.743 0.041 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.746 -9.566 -1.513 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.857 -10.717 0.736 1.00 0.00 C ATOM 1378 CE2 TYR A 87 13.051 -10.539 -0.823 1.00 0.00 C ATOM 1379 CZ TYR A 87 13.610 -11.111 0.300 1.00 0.00 C ATOM 1380 OH TYR A 87 12.919 -12.082 0.989 1.00 0.00 O ATOM 0 H TYR A 87 15.166 -6.891 0.842 1.00 0.00 H new ATOM 0 HA TYR A 87 16.569 -6.105 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.325 -7.974 -2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.793 -8.412 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.524 -9.437 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.305 -9.121 -2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.292 -11.167 1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.074 -10.851 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 87 12.057 -12.243 0.551 1.00 0.00 H new ATOM 1390 N ARG A 88 14.398 -5.260 -2.521 1.00 0.00 N ATOM 1391 CA ARG A 88 13.202 -4.516 -2.902 1.00 0.00 C ATOM 1392 C ARG A 88 12.338 -5.331 -3.863 1.00 0.00 C ATOM 1393 O ARG A 88 12.717 -5.556 -5.013 1.00 0.00 O ATOM 1394 CB ARG A 88 13.598 -3.192 -3.559 1.00 0.00 C ATOM 1395 CG ARG A 88 13.644 -2.017 -2.600 1.00 0.00 C ATOM 1396 CD ARG A 88 13.967 -0.721 -3.330 1.00 0.00 C ATOM 1397 NE ARG A 88 15.319 -0.722 -3.882 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.781 0.218 -4.701 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.004 1.232 -5.058 1.00 0.00 N ATOM 1400 NH2 ARG A 88 17.023 0.147 -5.162 1.00 0.00 N ATOM 0 H ARG A 88 15.178 -5.161 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 88 12.622 -4.315 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.577 -3.307 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.891 -2.969 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.684 -1.921 -2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.395 -2.201 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.248 -0.570 -4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.857 0.118 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 88 15.944 -1.486 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.049 1.292 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.361 1.952 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.625 -0.630 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.376 0.869 -5.790 1.00 0.00 H new ATOM 1414 N ARG A 89 11.175 -5.770 -3.382 1.00 0.00 N ATOM 1415 CA ARG A 89 10.255 -6.555 -4.201 1.00 0.00 C ATOM 1416 C ARG A 89 9.838 -5.782 -5.447 1.00 0.00 C ATOM 1417 O ARG A 89 9.818 -6.331 -6.549 1.00 0.00 O ATOM 1418 CB ARG A 89 9.016 -6.947 -3.391 1.00 0.00 C ATOM 1419 CG ARG A 89 9.102 -8.333 -2.772 1.00 0.00 C ATOM 1420 CD ARG A 89 10.138 -8.393 -1.661 1.00 0.00 C ATOM 1421 NE ARG A 89 9.772 -7.548 -0.528 1.00 0.00 N ATOM 1422 CZ ARG A 89 9.972 -7.888 0.742 1.00 0.00 C ATOM 1423 NH1 ARG A 89 10.528 -9.054 1.042 1.00 0.00 N ATOM 1424 NH2 ARG A 89 9.611 -7.062 1.715 1.00 0.00 N ATOM 0 H ARG A 89 10.849 -5.595 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 89 10.775 -7.461 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.864 -6.214 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.140 -6.902 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.127 -8.615 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.354 -9.060 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.249 -9.424 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.106 -8.079 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 89 9.338 -6.645 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.804 -9.694 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.680 -9.311 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.180 -6.166 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.765 -7.323 2.689 1.00 0.00 H new ATOM 1438 N PHE A 90 9.499 -4.509 -5.267 1.00 0.00 N ATOM 1439 CA PHE A 90 9.091 -3.664 -6.384 1.00 0.00 C ATOM 1440 C PHE A 90 10.297 -2.951 -6.984 1.00 0.00 C ATOM 1441 O PHE A 90 10.976 -2.182 -6.305 1.00 0.00 O ATOM 1442 CB PHE A 90 8.051 -2.637 -5.932 1.00 0.00 C ATOM 1443 CG PHE A 90 6.740 -3.248 -5.525 1.00 0.00 C ATOM 1444 CD1 PHE A 90 5.753 -3.486 -6.466 1.00 0.00 C ATOM 1445 CD2 PHE A 90 6.494 -3.582 -4.203 1.00 0.00 C ATOM 1446 CE1 PHE A 90 4.545 -4.046 -6.099 1.00 0.00 C ATOM 1447 CE2 PHE A 90 5.286 -4.143 -3.829 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.311 -4.375 -4.778 1.00 0.00 C ATOM 0 H PHE A 90 9.499 -4.041 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 90 8.644 -4.303 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.454 -2.069 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.876 -1.929 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.930 -3.231 -7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.253 -3.402 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.784 -4.226 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.106 -4.399 -2.795 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.367 -4.813 -4.488 1.00 0.00 H new ATOM 1458 N HIS A 91 10.560 -3.213 -8.260 1.00 0.00 N ATOM 1459 CA HIS A 91 11.687 -2.598 -8.949 1.00 0.00 C ATOM 1460 C HIS A 91 11.208 -1.711 -10.094 1.00 0.00 C ATOM 1461 O HIS A 91 10.535 -2.177 -11.013 1.00 0.00 O ATOM 1462 CB HIS A 91 12.633 -3.675 -9.484 1.00 0.00 C ATOM 1463 CG HIS A 91 13.869 -3.123 -10.123 1.00 0.00 C ATOM 1464 ND1 HIS A 91 13.937 -2.782 -11.458 1.00 0.00 N ATOM 1465 CD2 HIS A 91 15.091 -2.855 -9.606 1.00 0.00 C ATOM 1466 CE1 HIS A 91 15.148 -2.328 -11.733 1.00 0.00 C ATOM 1467 NE2 HIS A 91 15.865 -2.362 -10.627 1.00 0.00 N ATOM 0 H HIS A 91 10.008 -3.847 -8.837 1.00 0.00 H new ATOM 0 HA HIS A 91 12.223 -1.976 -8.232 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.921 -4.334 -8.665 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.100 -4.286 -10.212 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.399 -3.002 -8.581 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.491 -1.987 -12.699 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.838 -2.069 -10.543 1.00 0.00 H new ATOM 1476 N GLY A 92 11.560 -0.431 -10.029 1.00 0.00 N ATOM 1477 CA GLY A 92 11.160 0.503 -11.066 1.00 0.00 C ATOM 1478 C GLY A 92 9.791 1.103 -10.812 1.00 0.00 C ATOM 1479 O GLY A 92 9.271 1.851 -11.639 1.00 0.00 O ATOM 0 H GLY A 92 12.115 -0.024 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.897 1.303 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.156 -0.008 -12.029 1.00 0.00 H new ATOM 1483 N THR A 93 9.208 0.773 -9.664 1.00 0.00 N ATOM 1484 CA THR A 93 7.891 1.284 -9.301 1.00 0.00 C ATOM 1485 C THR A 93 7.887 1.807 -7.867 1.00 0.00 C ATOM 1486 O THR A 93 7.515 1.092 -6.937 1.00 0.00 O ATOM 1487 CB THR A 93 6.807 0.198 -9.446 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.927 -0.449 -10.719 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.416 0.799 -9.311 1.00 0.00 C ATOM 0 H THR A 93 9.627 0.154 -8.969 1.00 0.00 H new ATOM 0 HA THR A 93 7.665 2.102 -9.986 1.00 0.00 H new ATOM 0 HB THR A 93 6.951 -0.533 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.236 -1.139 -10.802 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.668 0.013 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.315 1.266 -8.331 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.267 1.549 -10.088 1.00 0.00 H new ATOM 1497 N GLY A 94 8.306 3.060 -7.697 1.00 0.00 N ATOM 1498 CA GLY A 94 8.343 3.662 -6.376 1.00 0.00 C ATOM 1499 C GLY A 94 6.990 3.621 -5.688 1.00 0.00 C ATOM 1500 O GLY A 94 6.882 3.194 -4.539 1.00 0.00 O ATOM 0 H GLY A 94 8.621 3.669 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.077 3.141 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.675 4.697 -6.460 1.00 0.00 H new ATOM 1504 N MET A 95 5.960 4.072 -6.398 1.00 0.00 N ATOM 1505 CA MET A 95 4.601 4.081 -5.868 1.00 0.00 C ATOM 1506 C MET A 95 3.597 3.874 -6.996 1.00 0.00 C ATOM 1507 O MET A 95 3.736 4.457 -8.072 1.00 0.00 O ATOM 1508 CB MET A 95 4.314 5.398 -5.142 1.00 0.00 C ATOM 1509 CG MET A 95 2.934 5.451 -4.504 1.00 0.00 C ATOM 1510 SD MET A 95 2.613 4.040 -3.430 1.00 0.00 S ATOM 1511 CE MET A 95 3.842 4.310 -2.158 1.00 0.00 C ATOM 0 H MET A 95 6.042 4.438 -7.347 1.00 0.00 H new ATOM 0 HA MET A 95 4.504 3.264 -5.153 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.068 5.550 -4.370 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.411 6.222 -5.849 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.839 6.371 -3.927 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.177 5.487 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.662 3.628 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.836 4.128 -2.568 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.778 5.339 -1.803 1.00 0.00 H new ATOM 1521 N ARG A 96 2.587 3.043 -6.753 1.00 0.00 N ATOM 1522 CA ARG A 96 1.578 2.761 -7.766 1.00 0.00 C ATOM 1523 C ARG A 96 0.257 2.359 -7.124 1.00 0.00 C ATOM 1524 O ARG A 96 0.107 1.234 -6.663 1.00 0.00 O ATOM 1525 CB ARG A 96 2.074 1.642 -8.674 1.00 0.00 C ATOM 1526 CG ARG A 96 1.660 1.790 -10.127 1.00 0.00 C ATOM 1527 CD ARG A 96 0.247 1.281 -10.359 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.144 1.370 -11.763 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.218 0.771 -12.268 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.003 0.040 -11.488 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -1.508 0.902 -13.556 1.00 0.00 N ATOM 0 H ARG A 96 2.447 2.556 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 96 1.409 3.665 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.162 1.601 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.700 0.690 -8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.723 2.838 -10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.355 1.240 -10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.176 0.245 -10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.450 1.858 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 96 0.439 1.923 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.783 -0.064 -10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.826 -0.418 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.907 1.463 -14.160 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.332 0.442 -13.943 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.704 3.273 -7.122 1.00 0.00 N ATOM 1546 CA ILE A 97 -2.010 3.015 -6.545 1.00 0.00 C ATOM 1547 C ILE A 97 -2.768 1.954 -7.340 1.00 0.00 C ATOM 1548 O ILE A 97 -2.440 1.671 -8.492 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.824 4.319 -6.487 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.916 4.240 -5.415 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.407 4.643 -7.849 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.280 3.818 -5.919 1.00 0.00 C ATOM 0 H ILE A 97 -0.599 4.207 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.866 2.635 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.152 5.130 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.597 3.538 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.008 5.216 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.980 5.569 -7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.600 4.762 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.062 3.831 -8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.983 3.792 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.628 4.531 -6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.212 2.827 -6.367 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.779 1.374 -6.710 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.592 0.351 -7.335 1.00 0.00 C ATOM 1566 C LEU A 98 -6.073 0.569 -7.055 1.00 0.00 C ATOM 1567 O LEU A 98 -6.593 0.104 -6.041 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.195 -1.040 -6.843 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.602 -2.157 -7.791 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.814 -2.020 -9.076 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.406 -3.529 -7.164 1.00 0.00 C ATOM 0 H LEU A 98 -4.055 1.601 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.419 0.421 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.115 -1.071 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.651 -1.216 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.667 -2.068 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.098 -2.817 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.027 -1.053 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.748 -2.091 -8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.708 -4.300 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.356 -3.665 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.014 -3.607 -6.262 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.744 1.284 -7.948 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.173 1.526 -7.802 1.00 0.00 C ATOM 1585 C ASP A 99 -8.917 0.205 -7.858 1.00 0.00 C ATOM 1586 O ASP A 99 -9.346 -0.227 -8.926 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.691 2.439 -8.913 1.00 0.00 C ATOM 1588 CG ASP A 99 -10.018 3.086 -8.562 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.152 3.585 -7.425 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -10.922 3.091 -9.422 1.00 0.00 O ATOM 0 H ASP A 99 -6.324 1.705 -8.777 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.342 2.014 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.953 3.216 -9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.803 1.862 -9.831 1.00 0.00 H new ATOM 1595 N LEU A 100 -9.052 -0.444 -6.710 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.740 -1.720 -6.647 1.00 0.00 C ATOM 1597 C LEU A 100 -11.156 -1.595 -7.182 1.00 0.00 C ATOM 1598 O LEU A 100 -11.767 -2.583 -7.590 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.762 -2.257 -5.210 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.391 -2.408 -4.544 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.473 -3.348 -3.342 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.367 -2.913 -5.552 1.00 0.00 C ATOM 0 H LEU A 100 -8.695 -0.108 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.194 -2.427 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.372 -1.590 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.256 -3.229 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.072 -1.429 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.488 -3.440 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.176 -2.945 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.814 -4.330 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.397 -3.016 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.684 -3.882 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.286 -2.203 -6.375 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.678 -0.372 -7.173 1.00 0.00 N ATOM 1615 CA ARG A 101 -13.015 -0.110 -7.684 1.00 0.00 C ATOM 1616 C ARG A 101 -13.111 -0.585 -9.127 1.00 0.00 C ATOM 1617 O ARG A 101 -14.201 -0.759 -9.672 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.331 1.384 -7.609 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.308 1.946 -6.198 1.00 0.00 C ATOM 1620 CD ARG A 101 -13.611 3.436 -6.193 1.00 0.00 C ATOM 1621 NE ARG A 101 -14.945 3.724 -6.714 1.00 0.00 N ATOM 1622 CZ ARG A 101 -15.528 4.916 -6.631 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -14.898 5.929 -6.050 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -16.744 5.097 -7.128 1.00 0.00 N ATOM 0 H ARG A 101 -11.193 0.452 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.738 -0.651 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.611 1.929 -8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.315 1.560 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.040 1.422 -5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.330 1.770 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.528 3.820 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.867 3.960 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.458 2.968 -7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.963 5.795 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.349 6.842 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.233 4.321 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.190 6.012 -7.064 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.946 -0.790 -9.734 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.858 -1.239 -11.111 1.00 0.00 C ATOM 1640 C LEU A 102 -11.756 -2.760 -11.196 1.00 0.00 C ATOM 1641 O LEU A 102 -12.432 -3.388 -12.011 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.636 -0.607 -11.777 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.532 0.914 -11.644 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.211 1.403 -12.208 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.701 1.597 -12.339 1.00 0.00 C ATOM 0 H LEU A 102 -11.042 -0.649 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.767 -0.931 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.738 -1.055 -11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.647 -0.863 -12.837 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.572 1.172 -10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.151 2.487 -12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.389 0.941 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.143 1.133 -13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.607 2.678 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.698 1.336 -13.397 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.636 1.268 -11.886 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.909 -3.350 -10.353 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.715 -4.798 -10.368 1.00 0.00 C ATOM 1659 C PHE A 103 -11.492 -5.483 -9.249 1.00 0.00 C ATOM 1660 O PHE A 103 -12.532 -4.996 -8.805 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.228 -5.128 -10.241 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.336 -3.990 -10.621 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.950 -3.795 -11.935 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.889 -3.115 -9.655 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -7.126 -2.740 -12.276 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -7.071 -2.062 -9.985 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.684 -1.871 -11.296 1.00 0.00 C ATOM 0 H PHE A 103 -10.352 -2.853 -9.658 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.095 -5.173 -11.319 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.014 -5.421 -9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.998 -5.987 -10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.296 -4.473 -12.701 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.185 -3.259 -8.626 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.828 -2.595 -13.304 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.730 -1.383 -9.218 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.038 -1.045 -11.555 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.970 -6.620 -8.800 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.593 -7.399 -7.744 1.00 0.00 C ATOM 1679 C GLU A 104 -10.530 -8.017 -6.854 1.00 0.00 C ATOM 1680 O GLU A 104 -9.392 -7.554 -6.821 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.482 -8.492 -8.343 1.00 0.00 C ATOM 1682 CG GLU A 104 -11.746 -9.420 -9.295 1.00 0.00 C ATOM 1683 CD GLU A 104 -12.621 -10.550 -9.800 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -13.304 -10.358 -10.828 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -12.624 -11.627 -9.166 1.00 0.00 O ATOM 0 H GLU A 104 -10.105 -7.024 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.214 -6.736 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.913 -9.082 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.311 -8.024 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.376 -8.845 -10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.876 -9.838 -8.789 1.00 0.00 H new ATOM 1692 N THR A 105 -10.901 -9.056 -6.127 1.00 0.00 N ATOM 1693 CA THR A 105 -9.962 -9.726 -5.241 1.00 0.00 C ATOM 1694 C THR A 105 -8.822 -10.375 -6.023 1.00 0.00 C ATOM 1695 O THR A 105 -7.656 -10.034 -5.833 1.00 0.00 O ATOM 1696 CB THR A 105 -10.664 -10.806 -4.396 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.458 -10.194 -3.372 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.649 -11.750 -3.770 1.00 0.00 C ATOM 0 H THR A 105 -11.840 -9.453 -6.131 1.00 0.00 H new ATOM 0 HA THR A 105 -9.554 -8.960 -4.582 1.00 0.00 H new ATOM 0 HB THR A 105 -11.312 -11.384 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.021 -9.371 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.169 -12.503 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.074 -12.239 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.975 -11.185 -3.126 1.00 0.00 H new ATOM 1706 N ASP A 106 -9.164 -11.300 -6.911 1.00 0.00 N ATOM 1707 CA ASP A 106 -8.158 -11.989 -7.708 1.00 0.00 C ATOM 1708 C ASP A 106 -7.641 -11.081 -8.811 1.00 0.00 C ATOM 1709 O ASP A 106 -6.524 -11.247 -9.301 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.736 -13.272 -8.307 1.00 0.00 C ATOM 1711 CG ASP A 106 -9.299 -14.202 -7.250 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -8.527 -15.017 -6.705 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -10.513 -14.115 -6.968 1.00 0.00 O ATOM 0 H ASP A 106 -10.124 -11.589 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.326 -12.254 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.522 -13.016 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.958 -13.791 -8.866 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.464 -10.114 -9.185 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.081 -9.179 -10.224 1.00 0.00 C ATOM 1720 C GLY A 107 -7.012 -8.222 -9.748 1.00 0.00 C ATOM 1721 O GLY A 107 -5.888 -8.234 -10.249 1.00 0.00 O ATOM 0 H GLY A 107 -9.391 -9.959 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.717 -9.729 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.956 -8.616 -10.547 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.366 -7.402 -8.766 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.447 -6.426 -8.201 1.00 0.00 C ATOM 1727 C ALA A 108 -5.124 -7.078 -7.837 1.00 0.00 C ATOM 1728 O ALA A 108 -4.059 -6.548 -8.138 1.00 0.00 O ATOM 1729 CB ALA A 108 -7.071 -5.777 -6.980 1.00 0.00 C ATOM 0 H ALA A 108 -8.294 -7.396 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.250 -5.659 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.378 -5.047 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.996 -5.276 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.288 -6.541 -6.233 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.198 -8.229 -7.186 1.00 0.00 N ATOM 1736 CA LEU A 109 -4.005 -8.955 -6.793 1.00 0.00 C ATOM 1737 C LEU A 109 -3.126 -9.210 -8.009 1.00 0.00 C ATOM 1738 O LEU A 109 -1.908 -9.018 -7.969 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.408 -10.270 -6.140 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.548 -10.720 -4.952 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.374 -9.590 -3.945 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.179 -11.926 -4.278 1.00 0.00 C ATOM 0 H LEU A 109 -6.074 -8.679 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.436 -8.362 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.441 -10.185 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.383 -11.052 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.563 -10.995 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.761 -9.935 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.886 -8.744 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.351 -9.281 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.561 -12.237 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.174 -11.663 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.256 -12.744 -4.994 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.760 -9.646 -9.092 1.00 0.00 N ATOM 1755 CA GLU A 110 -3.050 -9.909 -10.338 1.00 0.00 C ATOM 1756 C GLU A 110 -2.323 -8.654 -10.805 1.00 0.00 C ATOM 1757 O GLU A 110 -1.166 -8.717 -11.214 1.00 0.00 O ATOM 1758 CB GLU A 110 -4.010 -10.400 -11.417 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.314 -11.887 -11.333 1.00 0.00 C ATOM 1760 CD GLU A 110 -5.301 -12.341 -12.391 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -4.867 -12.617 -13.529 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -6.509 -12.416 -12.082 1.00 0.00 O ATOM 0 H GLU A 110 -4.763 -9.825 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.315 -10.693 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.944 -9.842 -11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.585 -10.180 -12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.387 -12.450 -11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.714 -12.117 -10.346 1.00 0.00 H new ATOM 1769 N GLU A 111 -3.015 -7.512 -10.737 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.435 -6.228 -11.127 1.00 0.00 C ATOM 1771 C GLU A 111 -1.046 -6.078 -10.540 1.00 0.00 C ATOM 1772 O GLU A 111 -0.056 -5.903 -11.259 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.316 -5.087 -10.623 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.429 -4.716 -11.568 1.00 0.00 C ATOM 1775 CD GLU A 111 -5.249 -5.908 -12.023 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -4.800 -6.623 -12.943 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -6.342 -6.122 -11.464 1.00 0.00 O ATOM 0 H GLU A 111 -3.981 -7.454 -10.414 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.372 -6.192 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.747 -5.370 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.693 -4.210 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.086 -3.996 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.005 -4.220 -12.441 1.00 0.00 H new ATOM 1784 N ILE A 112 -0.993 -6.148 -9.220 1.00 0.00 N ATOM 1785 CA ILE A 112 0.269 -6.051 -8.501 1.00 0.00 C ATOM 1786 C ILE A 112 1.320 -6.919 -9.170 1.00 0.00 C ATOM 1787 O ILE A 112 2.356 -6.422 -9.595 1.00 0.00 O ATOM 1788 CB ILE A 112 0.117 -6.493 -7.032 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.804 -5.535 -6.286 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.475 -6.578 -6.347 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -2.160 -6.119 -5.981 1.00 0.00 C ATOM 0 H ILE A 112 -1.810 -6.272 -8.623 1.00 0.00 H new ATOM 0 HA ILE A 112 0.578 -5.006 -8.522 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.329 -7.487 -7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.327 -5.238 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.932 -4.630 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.341 -6.892 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.101 -7.303 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 112 1.956 -5.600 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.762 -5.382 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.657 -6.390 -6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.042 -7.007 -5.361 1.00 0.00 H new ATOM 1803 N LEU A 113 1.028 -8.209 -9.288 1.00 0.00 N ATOM 1804 CA LEU A 113 1.942 -9.152 -9.908 1.00 0.00 C ATOM 1805 C LEU A 113 2.434 -8.646 -11.262 1.00 0.00 C ATOM 1806 O LEU A 113 3.626 -8.716 -11.565 1.00 0.00 O ATOM 1807 CB LEU A 113 1.232 -10.488 -10.086 1.00 0.00 C ATOM 1808 CG LEU A 113 1.081 -11.363 -8.835 1.00 0.00 C ATOM 1809 CD1 LEU A 113 1.586 -10.667 -7.576 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.368 -11.759 -8.686 1.00 0.00 C ATOM 0 H LEU A 113 0.157 -8.625 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 113 2.811 -9.269 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.237 -10.293 -10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.772 -11.062 -10.839 1.00 0.00 H new ATOM 0 HG LEU A 113 1.698 -12.253 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.457 -11.328 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.643 -10.426 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.020 -9.750 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.486 -12.382 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.981 -10.864 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.685 -12.318 -9.566 1.00 0.00 H new ATOM 2019 N ARG A 127 5.076 -11.681 4.188 1.00 0.00 N ATOM 2020 CA ARG A 127 4.558 -10.766 5.204 1.00 0.00 C ATOM 2021 C ARG A 127 3.778 -9.611 4.582 1.00 0.00 C ATOM 2022 O ARG A 127 2.677 -9.291 5.025 1.00 0.00 O ATOM 2023 CB ARG A 127 5.705 -10.219 6.056 1.00 0.00 C ATOM 2024 CG ARG A 127 6.233 -11.212 7.079 1.00 0.00 C ATOM 2025 CD ARG A 127 5.202 -11.501 8.159 1.00 0.00 C ATOM 2026 NE ARG A 127 4.771 -10.284 8.842 1.00 0.00 N ATOM 2027 CZ ARG A 127 3.809 -10.253 9.760 1.00 0.00 C ATOM 2028 NH1 ARG A 127 3.186 -11.370 10.112 1.00 0.00 N ATOM 2029 NH2 ARG A 127 3.470 -9.104 10.329 1.00 0.00 N ATOM 0 HA ARG A 127 3.872 -11.331 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.522 -9.918 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.365 -9.322 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.507 -12.141 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.140 -10.817 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.337 -11.992 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 127 5.623 -12.195 8.886 1.00 0.00 H new ATOM 0 HE ARG A 127 5.234 -9.408 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 127 3.444 -12.256 9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.449 -11.343 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.947 -8.243 10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.732 -9.082 11.033 1.00 0.00 H new ATOM 2043 N MET A 128 4.355 -8.981 3.565 1.00 0.00 N ATOM 2044 CA MET A 128 3.699 -7.866 2.893 1.00 0.00 C ATOM 2045 C MET A 128 2.376 -8.315 2.287 1.00 0.00 C ATOM 2046 O MET A 128 1.329 -7.706 2.514 1.00 0.00 O ATOM 2047 CB MET A 128 4.613 -7.289 1.802 1.00 0.00 C ATOM 2048 CG MET A 128 3.866 -6.702 0.610 1.00 0.00 C ATOM 2049 SD MET A 128 4.816 -6.771 -0.914 1.00 0.00 S ATOM 2050 CE MET A 128 3.729 -7.798 -1.896 1.00 0.00 C ATOM 0 H MET A 128 5.272 -9.222 3.189 1.00 0.00 H new ATOM 0 HA MET A 128 3.498 -7.088 3.629 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.240 -6.514 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.279 -8.076 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.929 -7.242 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.608 -5.665 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 128 4.251 -8.123 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 128 3.429 -8.670 -1.315 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.844 -7.227 -2.176 1.00 0.00 H new ATOM 2060 N PHE A 129 2.446 -9.385 1.512 1.00 0.00 N ATOM 2061 CA PHE A 129 1.279 -9.943 0.842 1.00 0.00 C ATOM 2062 C PHE A 129 0.164 -10.260 1.837 1.00 0.00 C ATOM 2063 O PHE A 129 -1.009 -10.295 1.470 1.00 0.00 O ATOM 2064 CB PHE A 129 1.682 -11.197 0.068 1.00 0.00 C ATOM 2065 CG PHE A 129 0.576 -11.792 -0.755 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.199 -11.210 -1.954 1.00 0.00 C ATOM 2067 CD2 PHE A 129 -0.079 -12.938 -0.335 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.810 -11.759 -2.720 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -1.091 -13.491 -1.095 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.457 -12.902 -2.290 1.00 0.00 C ATOM 0 H PHE A 129 3.312 -9.892 1.329 1.00 0.00 H new ATOM 0 HA PHE A 129 0.893 -9.199 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.518 -10.953 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.039 -11.947 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.700 -10.316 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.205 -13.404 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.093 -11.296 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.596 -14.383 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.247 -13.334 -2.887 1.00 0.00 H new ATOM 2080 N ARG A 130 0.534 -10.500 3.094 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.448 -10.802 4.131 1.00 0.00 C ATOM 2082 C ARG A 130 -1.498 -9.701 4.206 1.00 0.00 C ATOM 2083 O ARG A 130 -2.697 -9.978 4.266 1.00 0.00 O ATOM 2084 CB ARG A 130 0.240 -10.959 5.488 1.00 0.00 C ATOM 2085 CG ARG A 130 1.251 -12.092 5.529 1.00 0.00 C ATOM 2086 CD ARG A 130 0.600 -13.403 5.908 1.00 0.00 C ATOM 2087 NE ARG A 130 1.539 -14.311 6.562 1.00 0.00 N ATOM 2088 CZ ARG A 130 1.385 -15.631 6.603 1.00 0.00 C ATOM 2089 NH1 ARG A 130 0.337 -16.199 6.022 1.00 0.00 N ATOM 2090 NH2 ARG A 130 2.283 -16.385 7.223 1.00 0.00 N ATOM 0 H ARG A 130 1.502 -10.491 3.417 1.00 0.00 H new ATOM 0 HA ARG A 130 -0.940 -11.740 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.742 -10.025 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.518 -11.131 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.728 -12.190 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.037 -11.854 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.242 -13.211 6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 130 0.197 -13.880 5.014 1.00 0.00 H new ATOM 0 HE ARG A 130 2.361 -13.909 7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -0.354 -15.623 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 130 0.222 -17.212 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 130 3.092 -15.952 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 130 2.164 -17.398 7.254 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.042 -8.451 4.204 1.00 0.00 N ATOM 2105 CA LEU A 131 -1.935 -7.314 4.257 1.00 0.00 C ATOM 2106 C LEU A 131 -2.500 -7.027 2.871 1.00 0.00 C ATOM 2107 O LEU A 131 -3.687 -6.744 2.712 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.197 -6.067 4.747 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.417 -6.177 6.054 1.00 0.00 C ATOM 2110 CD1 LEU A 131 -1.232 -6.882 7.116 1.00 0.00 C ATOM 2111 CD2 LEU A 131 0.913 -6.864 5.829 1.00 0.00 C ATOM 0 H LEU A 131 -0.052 -8.207 4.166 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.742 -7.555 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.502 -5.759 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.928 -5.266 4.858 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.213 -5.169 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.652 -6.947 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.148 -6.322 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.484 -7.886 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.452 -6.932 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.743 -7.866 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.503 -6.290 5.115 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.620 -7.101 1.879 1.00 0.00 N ATOM 2124 CA LEU A 132 -1.974 -6.836 0.489 1.00 0.00 C ATOM 2125 C LEU A 132 -3.216 -7.611 0.056 1.00 0.00 C ATOM 2126 O LEU A 132 -4.211 -7.018 -0.362 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.796 -7.196 -0.411 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.868 -6.629 -1.826 1.00 0.00 C ATOM 2129 CD1 LEU A 132 -0.061 -5.346 -1.918 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.374 -7.656 -2.834 1.00 0.00 C ATOM 0 H LEU A 132 -0.640 -7.347 2.016 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.205 -5.775 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.122 -6.843 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.725 -8.282 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.907 -6.397 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.120 -4.951 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.463 -4.613 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.980 -5.552 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.432 -7.237 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.660 -7.919 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.996 -8.549 -2.778 1.00 0.00 H new ATOM 2142 N SER A 133 -3.153 -8.932 0.155 1.00 0.00 N ATOM 2143 CA SER A 133 -4.272 -9.780 -0.237 1.00 0.00 C ATOM 2144 C SER A 133 -5.436 -9.639 0.727 1.00 0.00 C ATOM 2145 O SER A 133 -6.568 -9.958 0.381 1.00 0.00 O ATOM 2146 CB SER A 133 -3.829 -11.236 -0.327 1.00 0.00 C ATOM 2147 OG SER A 133 -3.342 -11.703 0.919 1.00 0.00 O ATOM 0 H SER A 133 -2.340 -9.440 0.503 1.00 0.00 H new ATOM 0 HA SER A 133 -4.611 -9.454 -1.220 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.667 -11.854 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.052 -11.336 -1.084 1.00 0.00 H new ATOM 0 HG SER A 133 -2.491 -11.262 1.124 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.160 -9.167 1.934 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.214 -8.976 2.923 1.00 0.00 C ATOM 2155 C ALA A 134 -7.080 -7.775 2.559 1.00 0.00 C ATOM 2156 O ALA A 134 -8.265 -7.731 2.886 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.621 -8.812 4.308 1.00 0.00 C ATOM 0 H ALA A 134 -4.225 -8.911 2.251 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.847 -9.863 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.423 -8.671 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.051 -9.704 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -4.963 -7.943 4.321 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.475 -6.798 1.893 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.200 -5.610 1.460 1.00 0.00 C ATOM 2165 C PHE A 135 -7.894 -5.903 0.144 1.00 0.00 C ATOM 2166 O PHE A 135 -8.982 -5.408 -0.135 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.245 -4.431 1.288 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.935 -3.122 1.063 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.455 -2.402 2.127 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -7.041 -2.600 -0.212 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -8.074 -1.185 1.919 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.651 -1.385 -0.430 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.169 -0.675 0.637 1.00 0.00 C ATOM 0 H PHE A 135 -5.486 -6.805 1.642 1.00 0.00 H new ATOM 0 HA PHE A 135 -7.938 -5.348 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.617 -4.352 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.583 -4.632 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.375 -2.797 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.640 -3.152 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.482 -0.634 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.725 -0.988 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.648 0.278 0.469 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.237 -6.719 -0.660 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.761 -7.122 -1.944 1.00 0.00 C ATOM 2185 C ILE A 136 -8.948 -8.056 -1.726 1.00 0.00 C ATOM 2186 O ILE A 136 -9.894 -8.090 -2.513 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.651 -7.852 -2.736 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.235 -7.056 -3.968 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.064 -9.263 -3.111 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.884 -6.401 -3.805 1.00 0.00 C ATOM 0 H ILE A 136 -6.325 -7.119 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 136 -8.089 -6.249 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.784 -7.929 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.212 -7.718 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.984 -6.291 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.258 -9.743 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.271 -9.834 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.960 -9.227 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.636 -5.847 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.911 -5.716 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.128 -7.166 -3.629 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.866 -8.806 -0.633 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.884 -9.779 -0.264 1.00 0.00 C ATOM 2204 C ALA A 137 -11.011 -9.165 0.557 1.00 0.00 C ATOM 2205 O ALA A 137 -12.179 -9.218 0.173 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.227 -10.895 0.531 1.00 0.00 C ATOM 0 H ALA A 137 -8.088 -8.755 0.024 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.329 -10.162 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -9.979 -11.631 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.461 -11.374 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.769 -10.481 1.429 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.644 -8.584 1.693 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.612 -7.994 2.609 1.00 0.00 C ATOM 2214 C ASP A 138 -11.713 -6.480 2.470 1.00 0.00 C ATOM 2215 O ASP A 138 -12.764 -5.896 2.734 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.230 -8.359 4.036 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.536 -9.807 4.365 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -10.688 -10.675 4.066 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -12.623 -10.074 4.919 1.00 0.00 O ATOM 0 H ASP A 138 -9.675 -8.509 2.003 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.593 -8.397 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -10.166 -8.173 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -11.766 -7.711 4.730 1.00 0.00 H new