USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 911 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 61 LYS NZ :NH3+ -136:sc= 1.57 (180deg=0.121) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 GLN : amide:sc= -0.788 K(o=-0.032,f=1.1) USER MOD Set 2.2: A 57 TYR OH : rot -49:sc= 0.755 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-3.3!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.1 K(o=0.1,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.06 K(o=1.1,f=-0.025) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -37:sc= -0.19 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.987 K(o=0.99,f=-0.0056) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 9:sc= 0.0213 USER MOD Single : A 68 THR OG1 : rot -30:sc= 1.27 USER MOD Single : A 69 ASN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc=-0.000528 X(o=-0.00053,f=-0.15) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -171:sc= -0.214 (180deg=-0.463) USER MOD Single : A 85 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.88) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 160:sc= 1.12 USER MOD Single : A 99 HIS : no HD1:sc= -0.925 X(o=-0.93,f=-1.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.549 K(o=0.55,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.724 -22.623 0.505 1.00 0.00 N ATOM 2 CA GLY A 1 3.402 -22.281 -0.026 1.00 0.00 C ATOM 3 C GLY A 1 3.266 -20.777 -0.103 1.00 0.00 C ATOM 4 O GLY A 1 3.766 -20.160 -1.040 1.00 0.00 O ATOM 0 H1 GLY A 1 4.820 -23.657 0.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.460 -22.239 -0.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.832 -22.215 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.270 -22.720 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.623 -22.696 0.613 1.00 0.00 H new ATOM 8 N HIS A 2 2.605 -20.182 0.887 1.00 0.00 N ATOM 9 CA HIS A 2 2.393 -18.754 1.050 1.00 0.00 C ATOM 10 C HIS A 2 2.525 -18.445 2.551 1.00 0.00 C ATOM 11 O HIS A 2 2.489 -19.357 3.385 1.00 0.00 O ATOM 12 CB HIS A 2 0.999 -18.386 0.490 1.00 0.00 C ATOM 13 CG HIS A 2 0.722 -18.832 -0.922 1.00 0.00 C ATOM 14 ND1 HIS A 2 0.414 -20.101 -1.352 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.584 -18.003 -1.987 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.157 -20.040 -2.666 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.272 -18.774 -3.115 1.00 0.00 N ATOM 0 H HIS A 2 2.179 -20.721 1.641 1.00 0.00 H new ATOM 0 HA HIS A 2 3.124 -18.160 0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 2 0.240 -18.818 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.883 -17.303 0.539 1.00 0.00 H new ATOM 0 HD1 HIS A 2 0.386 -20.940 -0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.696 -16.929 -1.969 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.106 -20.888 -3.281 1.00 0.00 H new ATOM 25 N VAL A 3 2.674 -17.171 2.906 1.00 0.00 N ATOM 26 CA VAL A 3 2.944 -16.694 4.266 1.00 0.00 C ATOM 27 C VAL A 3 1.795 -15.790 4.698 1.00 0.00 C ATOM 28 O VAL A 3 1.416 -14.906 3.930 1.00 0.00 O ATOM 29 CB VAL A 3 4.305 -15.958 4.335 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.359 -16.873 4.976 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.870 -15.472 2.996 1.00 0.00 C ATOM 0 H VAL A 3 2.608 -16.410 2.230 1.00 0.00 H new ATOM 0 HA VAL A 3 3.011 -17.541 4.949 1.00 0.00 H new ATOM 0 HB VAL A 3 4.097 -15.067 4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.315 -16.351 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.043 -17.141 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.468 -17.777 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.824 -14.972 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.019 -16.324 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.170 -14.774 2.538 1.00 0.00 H new ATOM 41 N GLN A 4 1.190 -16.027 5.867 1.00 0.00 N ATOM 42 CA GLN A 4 0.052 -15.233 6.301 1.00 0.00 C ATOM 43 C GLN A 4 0.532 -13.878 6.804 1.00 0.00 C ATOM 44 O GLN A 4 1.429 -13.820 7.652 1.00 0.00 O ATOM 45 CB GLN A 4 -0.760 -15.962 7.383 1.00 0.00 C ATOM 46 CG GLN A 4 -2.233 -15.576 7.216 1.00 0.00 C ATOM 47 CD GLN A 4 -3.063 -15.818 8.470 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.529 -16.926 8.723 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.328 -14.770 9.234 1.00 0.00 N ATOM 0 H GLN A 4 1.472 -16.758 6.520 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.609 -15.081 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.637 -17.041 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.405 -15.686 8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.297 -14.523 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.660 -16.145 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.930 -13.859 9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.930 -14.874 10.051 1.00 0.00 H new ATOM 58 N LEU A 5 -0.105 -12.805 6.340 1.00 0.00 N ATOM 59 CA LEU A 5 0.129 -11.455 6.822 1.00 0.00 C ATOM 60 C LEU A 5 -1.188 -10.830 7.240 1.00 0.00 C ATOM 61 O LEU A 5 -2.248 -11.197 6.729 1.00 0.00 O ATOM 62 CB LEU A 5 0.823 -10.589 5.758 1.00 0.00 C ATOM 63 CG LEU A 5 2.270 -11.000 5.426 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.814 -10.030 4.369 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.197 -10.946 6.645 1.00 0.00 C ATOM 0 H LEU A 5 -0.810 -12.856 5.605 1.00 0.00 H new ATOM 0 HA LEU A 5 0.795 -11.508 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.233 -10.623 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.824 -9.554 6.098 1.00 0.00 H new ATOM 0 HG LEU A 5 2.248 -12.030 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.839 -10.303 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.195 -10.083 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.795 -9.014 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.203 -11.246 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.222 -9.930 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.827 -11.624 7.414 1.00 0.00 H new ATOM 77 N SER A 6 -1.123 -9.853 8.137 1.00 0.00 N ATOM 78 CA SER A 6 -2.248 -9.039 8.498 1.00 0.00 C ATOM 79 C SER A 6 -1.834 -7.575 8.515 1.00 0.00 C ATOM 80 O SER A 6 -0.640 -7.252 8.525 1.00 0.00 O ATOM 81 CB SER A 6 -2.772 -9.485 9.853 1.00 0.00 C ATOM 82 OG SER A 6 -2.836 -10.900 10.008 1.00 0.00 O ATOM 0 H SER A 6 -0.267 -9.610 8.635 1.00 0.00 H new ATOM 0 HA SER A 6 -3.048 -9.153 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.133 -9.072 10.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.768 -9.067 10.003 1.00 0.00 H new ATOM 0 HG SER A 6 -3.179 -11.116 10.900 1.00 0.00 H new ATOM 88 N LEU A 7 -2.832 -6.698 8.501 1.00 0.00 N ATOM 89 CA LEU A 7 -2.677 -5.257 8.502 1.00 0.00 C ATOM 90 C LEU A 7 -3.766 -4.650 9.367 1.00 0.00 C ATOM 91 O LEU A 7 -4.873 -5.197 9.382 1.00 0.00 O ATOM 92 CB LEU A 7 -2.886 -4.702 7.084 1.00 0.00 C ATOM 93 CG LEU A 7 -1.753 -5.013 6.109 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.200 -4.623 4.702 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.500 -4.219 6.464 1.00 0.00 C ATOM 0 H LEU A 7 -3.810 -6.989 8.488 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.680 -5.015 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.815 -5.106 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.009 -3.621 7.145 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.521 -6.077 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.401 -4.839 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.089 -5.193 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.430 -3.558 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.294 -4.457 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.720 -3.152 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.177 -4.480 7.472 1.00 0.00 H new ATOM 107 N PRO A 8 -3.520 -3.486 9.979 1.00 0.00 N ATOM 108 CA PRO A 8 -4.588 -2.604 10.402 1.00 0.00 C ATOM 109 C PRO A 8 -5.301 -2.035 9.169 1.00 0.00 C ATOM 110 O PRO A 8 -4.749 -2.020 8.068 1.00 0.00 O ATOM 111 CB PRO A 8 -3.872 -1.515 11.194 1.00 0.00 C ATOM 112 CG PRO A 8 -2.495 -1.404 10.550 1.00 0.00 C ATOM 113 CD PRO A 8 -2.226 -2.827 10.080 1.00 0.00 C ATOM 0 HA PRO A 8 -5.356 -3.097 10.999 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.411 -0.569 11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.795 -1.779 12.249 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.492 -0.697 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.742 -1.064 11.261 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.716 -2.826 9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.579 -3.351 10.783 1.00 0.00 H new ATOM 121 N VAL A 9 -6.502 -1.503 9.353 1.00 0.00 N ATOM 122 CA VAL A 9 -7.231 -0.723 8.365 1.00 0.00 C ATOM 123 C VAL A 9 -7.384 0.656 8.987 1.00 0.00 C ATOM 124 O VAL A 9 -7.798 0.759 10.147 1.00 0.00 O ATOM 125 CB VAL A 9 -8.581 -1.367 7.992 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.097 -0.769 6.678 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.483 -2.888 7.797 1.00 0.00 C ATOM 0 H VAL A 9 -7.014 -1.608 10.229 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.698 -0.670 7.416 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.256 -1.163 8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.051 -1.228 6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.231 0.306 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.376 -0.960 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.464 -3.285 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.778 -3.107 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.138 -3.352 8.721 1.00 0.00 H new ATOM 137 N LEU A 10 -6.976 1.685 8.252 1.00 0.00 N ATOM 138 CA LEU A 10 -6.834 3.061 8.710 1.00 0.00 C ATOM 139 C LEU A 10 -7.732 3.915 7.820 1.00 0.00 C ATOM 140 O LEU A 10 -7.974 3.551 6.666 1.00 0.00 O ATOM 141 CB LEU A 10 -5.365 3.498 8.580 1.00 0.00 C ATOM 142 CG LEU A 10 -4.353 2.650 9.378 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.957 2.766 8.767 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.286 3.053 10.855 1.00 0.00 C ATOM 0 H LEU A 10 -6.723 1.575 7.270 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.121 3.168 9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.087 3.470 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.281 4.535 8.905 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.702 1.619 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.256 2.161 9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.980 2.412 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.637 3.808 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.559 2.425 11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.984 4.097 10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.267 2.923 11.312 1.00 0.00 H new ATOM 156 N GLN A 11 -8.245 5.033 8.328 1.00 0.00 N ATOM 157 CA GLN A 11 -9.083 5.921 7.533 1.00 0.00 C ATOM 158 C GLN A 11 -8.187 6.717 6.588 1.00 0.00 C ATOM 159 O GLN A 11 -7.244 7.360 7.038 1.00 0.00 O ATOM 160 CB GLN A 11 -9.883 6.858 8.452 1.00 0.00 C ATOM 161 CG GLN A 11 -11.280 6.310 8.796 1.00 0.00 C ATOM 162 CD GLN A 11 -12.409 7.203 8.283 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.422 7.619 7.124 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.405 7.529 9.086 1.00 0.00 N ATOM 0 H GLN A 11 -8.094 5.344 9.288 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.797 5.340 6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.324 7.019 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.988 7.830 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.389 5.313 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.368 6.206 9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.413 7.195 10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.166 8.115 8.743 1.00 0.00 H new ATOM 173 N VAL A 12 -8.529 6.779 5.297 1.00 0.00 N ATOM 174 CA VAL A 12 -7.775 7.493 4.267 1.00 0.00 C ATOM 175 C VAL A 12 -7.522 8.938 4.700 1.00 0.00 C ATOM 176 O VAL A 12 -6.496 9.526 4.367 1.00 0.00 O ATOM 177 CB VAL A 12 -8.566 7.423 2.940 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.956 8.080 2.972 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.767 8.058 1.803 1.00 0.00 C ATOM 0 H VAL A 12 -9.363 6.320 4.931 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.800 7.028 4.121 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.723 6.357 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.429 7.978 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.572 7.591 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.853 9.137 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.341 7.999 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.566 9.103 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.824 7.526 1.680 1.00 0.00 H new ATOM 189 N ARG A 13 -8.464 9.520 5.448 1.00 0.00 N ATOM 190 CA ARG A 13 -8.401 10.910 5.853 1.00 0.00 C ATOM 191 C ARG A 13 -7.299 11.142 6.877 1.00 0.00 C ATOM 192 O ARG A 13 -6.663 12.192 6.857 1.00 0.00 O ATOM 193 CB ARG A 13 -9.756 11.395 6.394 1.00 0.00 C ATOM 194 CG ARG A 13 -10.438 10.370 7.310 1.00 0.00 C ATOM 195 CD ARG A 13 -11.624 10.932 8.081 1.00 0.00 C ATOM 196 NE ARG A 13 -11.210 11.617 9.311 1.00 0.00 N ATOM 197 CZ ARG A 13 -12.029 12.387 10.037 1.00 0.00 C ATOM 198 NH1 ARG A 13 -13.296 12.548 9.656 1.00 0.00 N ATOM 199 NH2 ARG A 13 -11.587 12.983 11.141 1.00 0.00 N ATOM 0 H ARG A 13 -9.292 9.030 5.787 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.162 11.495 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.610 12.325 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.416 11.621 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.774 9.525 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.705 9.985 8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.171 11.628 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.310 10.122 8.331 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.248 11.500 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.638 12.085 8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.924 13.134 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.620 12.854 11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.215 13.569 11.691 1.00 0.00 H new ATOM 213 N ASP A 14 -7.095 10.178 7.767 1.00 0.00 N ATOM 214 CA ASP A 14 -6.193 10.296 8.899 1.00 0.00 C ATOM 215 C ASP A 14 -4.774 9.954 8.482 1.00 0.00 C ATOM 216 O ASP A 14 -3.809 10.476 9.035 1.00 0.00 O ATOM 217 CB ASP A 14 -6.642 9.340 10.003 1.00 0.00 C ATOM 218 CG ASP A 14 -7.699 10.011 10.881 1.00 0.00 C ATOM 219 OD1 ASP A 14 -8.864 10.178 10.447 1.00 0.00 O ATOM 220 OD2 ASP A 14 -7.375 10.474 12.000 1.00 0.00 O ATOM 0 H ASP A 14 -7.564 9.274 7.718 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.215 11.323 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.048 8.429 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.786 9.046 10.611 1.00 0.00 H new ATOM 225 N VAL A 15 -4.636 9.092 7.483 1.00 0.00 N ATOM 226 CA VAL A 15 -3.390 8.676 6.868 1.00 0.00 C ATOM 227 C VAL A 15 -2.826 9.807 6.008 1.00 0.00 C ATOM 228 O VAL A 15 -2.788 9.726 4.790 1.00 0.00 O ATOM 229 CB VAL A 15 -3.603 7.347 6.128 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.255 6.801 5.687 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.230 6.237 6.989 1.00 0.00 C ATOM 0 H VAL A 15 -5.444 8.638 7.057 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.627 8.480 7.621 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.279 7.583 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.399 5.857 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.772 7.517 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.625 6.636 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.346 5.334 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.583 6.027 7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.207 6.562 7.347 1.00 0.00 H new ATOM 241 N LEU A 16 -2.503 10.928 6.640 1.00 0.00 N ATOM 242 CA LEU A 16 -2.083 12.189 6.052 1.00 0.00 C ATOM 243 C LEU A 16 -1.115 12.059 4.870 1.00 0.00 C ATOM 244 O LEU A 16 -1.210 12.867 3.947 1.00 0.00 O ATOM 245 CB LEU A 16 -1.487 13.040 7.181 1.00 0.00 C ATOM 246 CG LEU A 16 -2.548 13.867 7.931 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.979 14.388 9.252 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.017 15.056 7.083 1.00 0.00 C ATOM 0 H LEU A 16 -2.531 10.981 7.658 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.958 12.665 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.974 12.388 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.736 13.712 6.765 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.399 13.215 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.740 14.971 9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.678 13.546 9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.113 15.019 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.766 15.624 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.167 15.700 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.452 14.690 6.153 1.00 0.00 H new ATOM 260 N VAL A 17 -0.236 11.054 4.842 1.00 0.00 N ATOM 261 CA VAL A 17 0.470 10.639 3.632 1.00 0.00 C ATOM 262 C VAL A 17 0.196 9.161 3.374 1.00 0.00 C ATOM 263 O VAL A 17 0.558 8.283 4.157 1.00 0.00 O ATOM 264 CB VAL A 17 1.968 11.021 3.660 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.724 10.547 4.906 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.693 10.469 2.424 1.00 0.00 C ATOM 0 H VAL A 17 0.006 10.503 5.665 1.00 0.00 H new ATOM 0 HA VAL A 17 0.083 11.193 2.776 1.00 0.00 H new ATOM 0 HB VAL A 17 1.972 12.111 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.766 10.859 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.270 10.984 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.674 9.460 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.746 10.749 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.607 9.383 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.241 10.883 1.522 1.00 0.00 H new ATOM 276 N ARG A 18 -0.464 8.896 2.245 1.00 0.00 N ATOM 277 CA ARG A 18 -0.810 7.570 1.750 1.00 0.00 C ATOM 278 C ARG A 18 0.150 7.091 0.656 1.00 0.00 C ATOM 279 O ARG A 18 -0.074 6.046 0.042 1.00 0.00 O ATOM 280 CB ARG A 18 -2.230 7.598 1.185 1.00 0.00 C ATOM 281 CG ARG A 18 -3.299 8.219 2.085 1.00 0.00 C ATOM 282 CD ARG A 18 -3.462 9.705 1.763 1.00 0.00 C ATOM 283 NE ARG A 18 -4.457 10.367 2.605 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.519 11.674 2.863 1.00 0.00 C ATOM 285 NH1 ARG A 18 -3.791 12.565 2.198 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.335 12.065 3.827 1.00 0.00 N ATOM 0 H ARG A 18 -0.785 9.639 1.624 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.737 6.877 2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.214 8.146 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.528 6.575 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.248 7.703 1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.021 8.095 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.501 10.205 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.748 9.815 0.717 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.169 9.775 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.157 12.257 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.866 13.557 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.886 11.376 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.414 13.055 4.058 1.00 0.00 H new ATOM 300 N GLY A 19 1.160 7.887 0.319 1.00 0.00 N ATOM 301 CA GLY A 19 2.017 7.684 -0.827 1.00 0.00 C ATOM 302 C GLY A 19 3.374 7.292 -0.307 1.00 0.00 C ATOM 303 O GLY A 19 4.144 8.157 0.100 1.00 0.00 O ATOM 0 H GLY A 19 1.406 8.717 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.614 6.906 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.082 8.594 -1.424 1.00 0.00 H new ATOM 307 N PHE A 20 3.662 5.995 -0.328 1.00 0.00 N ATOM 308 CA PHE A 20 4.986 5.468 -0.029 1.00 0.00 C ATOM 309 C PHE A 20 6.085 6.105 -0.884 1.00 0.00 C ATOM 310 O PHE A 20 7.244 6.085 -0.488 1.00 0.00 O ATOM 311 CB PHE A 20 4.991 3.981 -0.344 1.00 0.00 C ATOM 312 CG PHE A 20 4.264 3.071 0.606 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.938 2.585 1.736 1.00 0.00 C ATOM 314 CD2 PHE A 20 2.990 2.569 0.277 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.402 1.501 2.428 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.416 1.551 1.050 1.00 0.00 C ATOM 317 CZ PHE A 20 3.131 0.986 2.118 1.00 0.00 C ATOM 0 H PHE A 20 2.976 5.275 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 20 5.189 5.684 1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.561 3.845 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.029 3.652 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.859 3.044 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.455 2.969 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.976 1.046 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.420 1.200 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.713 0.171 2.690 1.00 0.00 H new ATOM 327 N GLY A 21 5.743 6.631 -2.055 1.00 0.00 N ATOM 328 CA GLY A 21 6.671 7.309 -2.932 1.00 0.00 C ATOM 329 C GLY A 21 5.906 8.077 -3.986 1.00 0.00 C ATOM 330 O GLY A 21 4.674 8.149 -3.941 1.00 0.00 O ATOM 0 H GLY A 21 4.792 6.594 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.299 7.989 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.334 6.585 -3.405 1.00 0.00 H new ATOM 334 N ASP A 22 6.653 8.619 -4.943 1.00 0.00 N ATOM 335 CA ASP A 22 6.145 9.464 -6.024 1.00 0.00 C ATOM 336 C ASP A 22 6.110 8.696 -7.360 1.00 0.00 C ATOM 337 O ASP A 22 5.568 9.178 -8.355 1.00 0.00 O ATOM 338 CB ASP A 22 7.029 10.721 -6.085 1.00 0.00 C ATOM 339 CG ASP A 22 6.331 11.989 -6.597 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.815 12.020 -7.733 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.442 13.029 -5.907 1.00 0.00 O ATOM 0 H ASP A 22 7.662 8.479 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 22 5.114 9.760 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.420 10.919 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.885 10.513 -6.727 1.00 0.00 H new ATOM 346 N SER A 23 6.644 7.467 -7.384 1.00 0.00 N ATOM 347 CA SER A 23 6.620 6.561 -8.528 1.00 0.00 C ATOM 348 C SER A 23 6.095 5.186 -8.116 1.00 0.00 C ATOM 349 O SER A 23 6.197 4.795 -6.951 1.00 0.00 O ATOM 350 CB SER A 23 8.019 6.458 -9.139 1.00 0.00 C ATOM 351 OG SER A 23 8.415 7.722 -9.631 1.00 0.00 O ATOM 0 H SER A 23 7.120 7.067 -6.575 1.00 0.00 H new ATOM 0 HA SER A 23 5.942 6.960 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.729 6.109 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.021 5.725 -9.946 1.00 0.00 H new ATOM 0 HG SER A 23 9.312 7.655 -10.020 1.00 0.00 H new ATOM 357 N VAL A 24 5.556 4.451 -9.089 1.00 0.00 N ATOM 358 CA VAL A 24 5.011 3.106 -8.943 1.00 0.00 C ATOM 359 C VAL A 24 6.042 2.197 -8.303 1.00 0.00 C ATOM 360 O VAL A 24 5.746 1.563 -7.288 1.00 0.00 O ATOM 361 CB VAL A 24 4.566 2.560 -10.319 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.944 1.174 -10.267 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.489 3.452 -10.892 1.00 0.00 C ATOM 0 H VAL A 24 5.485 4.797 -10.046 1.00 0.00 H new ATOM 0 HA VAL A 24 4.136 3.141 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 24 5.478 2.525 -10.915 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.660 0.865 -11.273 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.666 0.466 -9.860 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.059 1.196 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.176 3.067 -11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.634 3.471 -10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.879 4.463 -11.012 1.00 0.00 H new ATOM 373 N GLU A 25 7.232 2.125 -8.905 1.00 0.00 N ATOM 374 CA GLU A 25 8.218 1.157 -8.478 1.00 0.00 C ATOM 375 C GLU A 25 8.684 1.438 -7.049 1.00 0.00 C ATOM 376 O GLU A 25 8.915 0.499 -6.287 1.00 0.00 O ATOM 377 CB GLU A 25 9.440 1.190 -9.401 1.00 0.00 C ATOM 378 CG GLU A 25 9.306 0.325 -10.655 1.00 0.00 C ATOM 379 CD GLU A 25 10.623 0.277 -11.439 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.423 1.247 -11.399 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.884 -0.733 -12.130 1.00 0.00 O ATOM 0 H GLU A 25 7.524 2.722 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 25 7.746 0.175 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.625 2.221 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.314 0.861 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.011 -0.686 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.515 0.722 -11.291 1.00 0.00 H new ATOM 388 N GLU A 26 8.816 2.726 -6.712 1.00 0.00 N ATOM 389 CA GLU A 26 9.198 3.199 -5.391 1.00 0.00 C ATOM 390 C GLU A 26 8.200 2.675 -4.375 1.00 0.00 C ATOM 391 O GLU A 26 8.566 1.978 -3.427 1.00 0.00 O ATOM 392 CB GLU A 26 9.221 4.736 -5.344 1.00 0.00 C ATOM 393 CG GLU A 26 10.373 5.335 -6.146 1.00 0.00 C ATOM 394 CD GLU A 26 11.730 4.933 -5.568 1.00 0.00 C ATOM 395 OE1 GLU A 26 11.914 4.989 -4.327 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.634 4.550 -6.344 1.00 0.00 O ATOM 0 H GLU A 26 8.654 3.484 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 26 10.199 2.835 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.277 5.121 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.298 5.062 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.306 5.004 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.287 6.422 -6.152 1.00 0.00 H new ATOM 403 N ALA A 27 6.930 3.013 -4.603 1.00 0.00 N ATOM 404 CA ALA A 27 5.863 2.714 -3.684 1.00 0.00 C ATOM 405 C ALA A 27 5.758 1.210 -3.470 1.00 0.00 C ATOM 406 O ALA A 27 5.681 0.773 -2.325 1.00 0.00 O ATOM 407 CB ALA A 27 4.568 3.326 -4.210 1.00 0.00 C ATOM 0 H ALA A 27 6.624 3.506 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 27 6.068 3.153 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.754 3.104 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.685 4.406 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.338 2.905 -5.189 1.00 0.00 H new ATOM 413 N LEU A 28 5.790 0.400 -4.532 1.00 0.00 N ATOM 414 CA LEU A 28 5.807 -1.023 -4.444 1.00 0.00 C ATOM 415 C LEU A 28 6.935 -1.577 -3.583 1.00 0.00 C ATOM 416 O LEU A 28 6.709 -2.505 -2.799 1.00 0.00 O ATOM 417 CB LEU A 28 5.961 -1.560 -5.871 1.00 0.00 C ATOM 418 CG LEU A 28 5.414 -2.979 -5.867 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.208 -3.140 -6.770 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.452 -4.028 -6.235 1.00 0.00 C ATOM 0 H LEU A 28 5.805 0.746 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 28 4.880 -1.340 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.415 -0.937 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.007 -1.550 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 28 5.111 -3.148 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.858 -4.172 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.412 -2.474 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.485 -2.891 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.994 -5.017 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.833 -3.827 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.274 -3.993 -5.520 1.00 0.00 H new ATOM 432 N SER A 29 8.146 -1.053 -3.767 1.00 0.00 N ATOM 433 CA SER A 29 9.303 -1.527 -3.031 1.00 0.00 C ATOM 434 C SER A 29 9.111 -1.247 -1.549 1.00 0.00 C ATOM 435 O SER A 29 9.229 -2.141 -0.709 1.00 0.00 O ATOM 436 CB SER A 29 10.577 -0.819 -3.506 1.00 0.00 C ATOM 437 OG SER A 29 11.368 -1.667 -4.325 1.00 0.00 O ATOM 0 H SER A 29 8.345 -0.298 -4.423 1.00 0.00 H new ATOM 0 HA SER A 29 9.405 -2.598 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.310 0.080 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.160 -0.498 -2.643 1.00 0.00 H new ATOM 0 HG SER A 29 12.172 -1.186 -4.613 1.00 0.00 H new ATOM 443 N GLU A 30 8.794 0.000 -1.241 1.00 0.00 N ATOM 444 CA GLU A 30 8.612 0.479 0.109 1.00 0.00 C ATOM 445 C GLU A 30 7.497 -0.283 0.797 1.00 0.00 C ATOM 446 O GLU A 30 7.615 -0.610 1.970 1.00 0.00 O ATOM 447 CB GLU A 30 8.170 1.928 0.015 1.00 0.00 C ATOM 448 CG GLU A 30 9.274 2.884 -0.391 1.00 0.00 C ATOM 449 CD GLU A 30 10.048 3.364 0.844 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.378 2.533 1.719 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.282 4.584 1.011 1.00 0.00 O ATOM 0 H GLU A 30 8.653 0.723 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 30 9.540 0.355 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.355 2.003 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.771 2.239 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.954 2.390 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.848 3.739 -0.916 1.00 0.00 H new ATOM 458 N ALA A 31 6.423 -0.588 0.073 1.00 0.00 N ATOM 459 CA ALA A 31 5.319 -1.382 0.550 1.00 0.00 C ATOM 460 C ALA A 31 5.819 -2.756 0.963 1.00 0.00 C ATOM 461 O ALA A 31 5.640 -3.129 2.119 1.00 0.00 O ATOM 462 CB ALA A 31 4.249 -1.373 -0.528 1.00 0.00 C ATOM 0 H ALA A 31 6.304 -0.275 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 31 4.861 -0.975 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.396 -1.967 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.928 -0.348 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.654 -1.798 -1.446 1.00 0.00 H new ATOM 468 N ARG A 32 6.525 -3.483 0.091 1.00 0.00 N ATOM 469 CA ARG A 32 7.166 -4.744 0.478 1.00 0.00 C ATOM 470 C ARG A 32 8.015 -4.566 1.720 1.00 0.00 C ATOM 471 O ARG A 32 8.009 -5.444 2.592 1.00 0.00 O ATOM 472 CB ARG A 32 8.035 -5.281 -0.672 1.00 0.00 C ATOM 473 CG ARG A 32 7.228 -5.742 -1.885 1.00 0.00 C ATOM 474 CD ARG A 32 8.121 -5.898 -3.120 1.00 0.00 C ATOM 475 NE ARG A 32 7.597 -6.940 -4.017 1.00 0.00 N ATOM 476 CZ ARG A 32 7.725 -8.255 -3.803 1.00 0.00 C ATOM 477 NH1 ARG A 32 8.718 -8.743 -3.067 1.00 0.00 N ATOM 478 NH2 ARG A 32 6.804 -9.063 -4.301 1.00 0.00 N ATOM 0 H ARG A 32 6.667 -3.221 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 32 6.377 -5.464 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.731 -4.503 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.633 -6.115 -0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.743 -6.692 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.437 -5.021 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.180 -4.949 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.135 -6.154 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 32 7.103 -6.640 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.403 -8.112 -2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.795 -9.749 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.022 -8.679 -4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.875 -10.070 -4.154 1.00 0.00 H new ATOM 492 N GLU A 33 8.743 -3.464 1.817 1.00 0.00 N ATOM 493 CA GLU A 33 9.597 -3.179 2.943 1.00 0.00 C ATOM 494 C GLU A 33 8.796 -2.998 4.223 1.00 0.00 C ATOM 495 O GLU A 33 9.031 -3.706 5.203 1.00 0.00 O ATOM 496 CB GLU A 33 10.500 -1.974 2.609 1.00 0.00 C ATOM 497 CG GLU A 33 11.893 -2.483 2.250 1.00 0.00 C ATOM 498 CD GLU A 33 12.617 -1.715 1.151 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.783 -0.483 1.256 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.051 -2.409 0.203 1.00 0.00 O ATOM 0 H GLU A 33 8.752 -2.737 1.102 1.00 0.00 H new ATOM 0 HA GLU A 33 10.246 -4.034 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.080 -1.408 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.555 -1.296 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.510 -2.462 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.810 -3.526 1.944 1.00 0.00 H new ATOM 507 N HIS A 34 7.840 -2.083 4.241 1.00 0.00 N ATOM 508 CA HIS A 34 7.100 -1.720 5.427 1.00 0.00 C ATOM 509 C HIS A 34 6.180 -2.866 5.833 1.00 0.00 C ATOM 510 O HIS A 34 5.916 -3.026 7.016 1.00 0.00 O ATOM 511 CB HIS A 34 6.273 -0.474 5.172 1.00 0.00 C ATOM 512 CG HIS A 34 7.019 0.835 5.015 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.081 1.108 4.179 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.642 2.024 5.580 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.364 2.418 4.279 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.533 3.007 5.157 1.00 0.00 N ATOM 0 H HIS A 34 7.555 -1.564 3.411 1.00 0.00 H new ATOM 0 HA HIS A 34 7.808 -1.518 6.231 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.686 -0.638 4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.567 -0.363 5.995 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.567 0.434 3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.800 2.173 6.239 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.146 2.925 3.733 1.00 0.00 H new ATOM 524 N LEU A 35 5.747 -3.714 4.898 1.00 0.00 N ATOM 525 CA LEU A 35 5.031 -4.951 5.192 1.00 0.00 C ATOM 526 C LEU A 35 5.918 -5.927 5.963 1.00 0.00 C ATOM 527 O LEU A 35 5.445 -6.640 6.847 1.00 0.00 O ATOM 528 CB LEU A 35 4.548 -5.594 3.882 1.00 0.00 C ATOM 529 CG LEU A 35 3.393 -4.816 3.225 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.172 -5.266 1.786 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.099 -5.019 3.987 1.00 0.00 C ATOM 0 H LEU A 35 5.888 -3.555 3.900 1.00 0.00 H new ATOM 0 HA LEU A 35 4.170 -4.713 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.382 -5.655 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.224 -6.615 4.082 1.00 0.00 H new ATOM 0 HG LEU A 35 3.673 -3.763 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.350 -4.698 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.080 -5.094 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.928 -6.328 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.300 -4.459 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.845 -6.079 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.220 -4.665 5.011 1.00 0.00 H new ATOM 543 N LYS A 36 7.215 -5.966 5.648 1.00 0.00 N ATOM 544 CA LYS A 36 8.196 -6.755 6.385 1.00 0.00 C ATOM 545 C LYS A 36 8.430 -6.143 7.768 1.00 0.00 C ATOM 546 O LYS A 36 8.499 -6.870 8.755 1.00 0.00 O ATOM 547 CB LYS A 36 9.467 -6.875 5.531 1.00 0.00 C ATOM 548 CG LYS A 36 10.231 -8.185 5.755 1.00 0.00 C ATOM 549 CD LYS A 36 11.219 -8.166 6.926 1.00 0.00 C ATOM 550 CE LYS A 36 12.429 -7.278 6.612 1.00 0.00 C ATOM 551 NZ LYS A 36 13.422 -7.942 5.743 1.00 0.00 N ATOM 0 H LYS A 36 7.614 -5.445 4.867 1.00 0.00 H new ATOM 0 HA LYS A 36 7.835 -7.767 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.197 -6.796 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.126 -6.036 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.510 -8.985 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.776 -8.431 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.718 -7.800 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.554 -9.181 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.086 -6.363 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.910 -6.985 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.216 -7.294 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.774 -8.801 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.976 -8.199 4.839 1.00 0.00 H new ATOM 565 N ASN A 37 8.519 -4.813 7.855 1.00 0.00 N ATOM 566 CA ASN A 37 8.642 -4.087 9.126 1.00 0.00 C ATOM 567 C ASN A 37 7.431 -4.336 10.013 1.00 0.00 C ATOM 568 O ASN A 37 7.567 -4.530 11.220 1.00 0.00 O ATOM 569 CB ASN A 37 8.756 -2.568 8.929 1.00 0.00 C ATOM 570 CG ASN A 37 10.097 -2.095 8.410 1.00 0.00 C ATOM 571 OD1 ASN A 37 10.862 -1.448 9.112 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.441 -2.409 7.179 1.00 0.00 N ATOM 0 H ASN A 37 8.508 -4.202 7.038 1.00 0.00 H new ATOM 0 HA ASN A 37 9.554 -4.462 9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.979 -2.246 8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.556 -2.076 9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.345 -2.113 6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.804 -2.948 6.593 1.00 0.00 H new ATOM 579 N GLY A 38 6.254 -4.278 9.405 1.00 0.00 N ATOM 580 CA GLY A 38 4.946 -4.281 10.047 1.00 0.00 C ATOM 581 C GLY A 38 4.346 -2.875 10.187 1.00 0.00 C ATOM 582 O GLY A 38 3.433 -2.687 10.991 1.00 0.00 O ATOM 0 H GLY A 38 6.182 -4.224 8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.265 -4.905 9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.033 -4.734 11.035 1.00 0.00 H new ATOM 586 N THR A 39 4.839 -1.883 9.442 1.00 0.00 N ATOM 587 CA THR A 39 4.456 -0.472 9.527 1.00 0.00 C ATOM 588 C THR A 39 3.635 -0.073 8.303 1.00 0.00 C ATOM 589 O THR A 39 3.756 1.021 7.745 1.00 0.00 O ATOM 590 CB THR A 39 5.724 0.374 9.733 1.00 0.00 C ATOM 591 OG1 THR A 39 6.701 0.109 8.743 1.00 0.00 O ATOM 592 CG2 THR A 39 6.355 0.046 11.086 1.00 0.00 C ATOM 0 H THR A 39 5.550 -2.050 8.730 1.00 0.00 H new ATOM 0 HA THR A 39 3.808 -0.292 10.385 1.00 0.00 H new ATOM 0 HB THR A 39 5.418 1.419 9.676 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.491 0.666 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.252 0.649 11.225 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.644 0.266 11.882 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.620 -1.011 11.117 1.00 0.00 H new ATOM 600 N CYS A 40 2.753 -0.976 7.881 1.00 0.00 N ATOM 601 CA CYS A 40 1.789 -0.748 6.830 1.00 0.00 C ATOM 602 C CYS A 40 0.411 -0.906 7.430 1.00 0.00 C ATOM 603 O CYS A 40 0.233 -1.640 8.400 1.00 0.00 O ATOM 604 CB CYS A 40 2.104 -1.710 5.676 1.00 0.00 C ATOM 605 SG CYS A 40 1.005 -1.524 4.248 1.00 0.00 S ATOM 0 H CYS A 40 2.695 -1.913 8.280 1.00 0.00 H new ATOM 0 HA CYS A 40 1.833 0.256 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.133 -1.551 5.354 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.039 -2.735 6.042 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.203 -1.274 4.659 1.00 0.00 H new ATOM 611 N GLY A 41 -0.558 -0.230 6.827 1.00 0.00 N ATOM 612 CA GLY A 41 -1.966 -0.471 7.023 1.00 0.00 C ATOM 613 C GLY A 41 -2.654 -0.543 5.666 1.00 0.00 C ATOM 614 O GLY A 41 -2.002 -0.472 4.619 1.00 0.00 O ATOM 0 H GLY A 41 -0.370 0.525 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.115 -1.402 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.404 0.326 7.624 1.00 0.00 H new ATOM 618 N LEU A 42 -3.967 -0.731 5.687 1.00 0.00 N ATOM 619 CA LEU A 42 -4.826 -0.864 4.524 1.00 0.00 C ATOM 620 C LEU A 42 -5.770 0.334 4.489 1.00 0.00 C ATOM 621 O LEU A 42 -6.258 0.767 5.533 1.00 0.00 O ATOM 622 CB LEU A 42 -5.610 -2.185 4.665 1.00 0.00 C ATOM 623 CG LEU A 42 -6.514 -2.538 3.468 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.680 -2.996 2.263 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.487 -3.663 3.859 1.00 0.00 C ATOM 0 H LEU A 42 -4.486 -0.798 6.563 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.255 -0.886 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.899 -2.997 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.226 -2.130 5.562 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.070 -1.642 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.343 -3.239 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.002 -2.196 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.101 -3.879 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.122 -3.907 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.922 -4.547 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.108 -3.334 4.692 1.00 0.00 H new ATOM 637 N VAL A 43 -6.074 0.810 3.289 1.00 0.00 N ATOM 638 CA VAL A 43 -7.140 1.748 2.984 1.00 0.00 C ATOM 639 C VAL A 43 -7.995 1.043 1.937 1.00 0.00 C ATOM 640 O VAL A 43 -7.477 0.535 0.940 1.00 0.00 O ATOM 641 CB VAL A 43 -6.524 3.085 2.516 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.500 3.959 1.718 1.00 0.00 C ATOM 643 CG2 VAL A 43 -6.029 3.891 3.726 1.00 0.00 C ATOM 0 H VAL A 43 -5.552 0.535 2.457 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.765 2.013 3.836 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.699 2.820 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.002 4.882 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.827 3.420 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.365 4.196 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.597 4.832 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.866 4.097 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.272 3.317 4.261 1.00 0.00 H new ATOM 653 N GLU A 44 -9.297 0.929 2.179 1.00 0.00 N ATOM 654 CA GLU A 44 -10.213 0.316 1.233 1.00 0.00 C ATOM 655 C GLU A 44 -10.268 1.155 -0.044 1.00 0.00 C ATOM 656 O GLU A 44 -10.072 2.370 -0.022 1.00 0.00 O ATOM 657 CB GLU A 44 -11.607 0.171 1.852 1.00 0.00 C ATOM 658 CG GLU A 44 -11.576 -0.703 3.113 1.00 0.00 C ATOM 659 CD GLU A 44 -11.584 0.103 4.418 1.00 0.00 C ATOM 660 OE1 GLU A 44 -10.808 1.077 4.545 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.339 -0.317 5.327 1.00 0.00 O ATOM 0 H GLU A 44 -9.743 1.259 3.035 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.854 -0.682 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.000 1.157 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.287 -0.267 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.437 -1.371 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.685 -1.330 3.088 1.00 0.00 H new ATOM 668 N LEU A 45 -10.578 0.521 -1.172 1.00 0.00 N ATOM 669 CA LEU A 45 -10.864 1.246 -2.399 1.00 0.00 C ATOM 670 C LEU A 45 -12.289 1.753 -2.295 1.00 0.00 C ATOM 671 O LEU A 45 -13.225 1.020 -2.605 1.00 0.00 O ATOM 672 CB LEU A 45 -10.629 0.345 -3.624 1.00 0.00 C ATOM 673 CG LEU A 45 -9.160 0.417 -4.083 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.787 -0.846 -4.858 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.914 1.656 -4.956 1.00 0.00 C ATOM 0 H LEU A 45 -10.637 -0.494 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.195 2.096 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.888 -0.685 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.285 0.653 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.533 0.493 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.747 -0.783 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.918 -1.718 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.430 -0.939 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.869 1.681 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.553 1.612 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.145 2.555 -4.385 1.00 0.00 H new ATOM 687 N GLU A 46 -12.482 2.995 -1.858 1.00 0.00 N ATOM 688 CA GLU A 46 -13.756 3.660 -2.097 1.00 0.00 C ATOM 689 C GLU A 46 -13.802 4.197 -3.527 1.00 0.00 C ATOM 690 O GLU A 46 -12.783 4.241 -4.218 1.00 0.00 O ATOM 691 CB GLU A 46 -13.994 4.847 -1.164 1.00 0.00 C ATOM 692 CG GLU A 46 -13.994 4.534 0.331 1.00 0.00 C ATOM 693 CD GLU A 46 -14.757 5.620 1.094 1.00 0.00 C ATOM 694 OE1 GLU A 46 -15.902 5.953 0.701 1.00 0.00 O ATOM 695 OE2 GLU A 46 -14.234 6.134 2.103 1.00 0.00 O ATOM 0 H GLU A 46 -11.792 3.548 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.526 2.909 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.226 5.596 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.952 5.299 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.455 3.562 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.969 4.472 0.698 1.00 0.00 H new ATOM 702 N LYS A 47 -14.964 4.708 -3.941 1.00 0.00 N ATOM 703 CA LYS A 47 -15.114 5.504 -5.151 1.00 0.00 C ATOM 704 C LYS A 47 -14.178 6.714 -5.134 1.00 0.00 C ATOM 705 O LYS A 47 -13.544 6.986 -6.155 1.00 0.00 O ATOM 706 CB LYS A 47 -16.577 5.944 -5.278 1.00 0.00 C ATOM 707 CG LYS A 47 -16.894 6.476 -6.680 1.00 0.00 C ATOM 708 CD LYS A 47 -18.389 6.776 -6.769 1.00 0.00 C ATOM 709 CE LYS A 47 -18.765 7.257 -8.167 1.00 0.00 C ATOM 710 NZ LYS A 47 -20.185 7.645 -8.218 1.00 0.00 N ATOM 0 H LYS A 47 -15.839 4.575 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.841 4.899 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.230 5.101 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.789 6.717 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.316 7.378 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.611 5.742 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.959 5.880 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.656 7.536 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.140 8.106 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.572 6.467 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.422 7.970 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.778 6.826 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.359 8.414 -7.540 1.00 0.00 H new ATOM 724 N GLY A 48 -14.080 7.423 -4.007 1.00 0.00 N ATOM 725 CA GLY A 48 -13.346 8.672 -3.876 1.00 0.00 C ATOM 726 C GLY A 48 -12.109 8.546 -2.996 1.00 0.00 C ATOM 727 O GLY A 48 -11.815 9.464 -2.240 1.00 0.00 O ATOM 0 H GLY A 48 -14.525 7.130 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.047 9.017 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.006 9.433 -3.459 1.00 0.00 H new ATOM 731 N VAL A 49 -11.379 7.434 -3.053 1.00 0.00 N ATOM 732 CA VAL A 49 -10.105 7.273 -2.354 1.00 0.00 C ATOM 733 C VAL A 49 -8.953 7.740 -3.233 1.00 0.00 C ATOM 734 O VAL A 49 -8.143 8.540 -2.785 1.00 0.00 O ATOM 735 CB VAL A 49 -10.001 5.815 -1.871 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.600 5.190 -1.833 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.579 5.759 -0.447 1.00 0.00 C ATOM 0 H VAL A 49 -11.657 6.612 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.049 7.906 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.547 5.230 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.669 4.163 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.171 5.197 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.963 5.766 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.522 4.738 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.006 6.418 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.620 6.082 -0.464 1.00 0.00 H new ATOM 747 N LEU A 50 -8.906 7.319 -4.491 1.00 0.00 N ATOM 748 CA LEU A 50 -7.831 7.618 -5.424 1.00 0.00 C ATOM 749 C LEU A 50 -7.505 9.126 -5.497 1.00 0.00 C ATOM 750 O LEU A 50 -6.315 9.444 -5.430 1.00 0.00 O ATOM 751 CB LEU A 50 -8.229 7.065 -6.801 1.00 0.00 C ATOM 752 CG LEU A 50 -7.965 5.559 -7.051 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.597 5.301 -8.510 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.944 4.878 -6.133 1.00 0.00 C ATOM 0 H LEU A 50 -9.640 6.741 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.916 7.141 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.293 7.253 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.697 7.634 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.918 5.095 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.417 4.236 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.415 5.623 -9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.696 5.859 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.849 3.828 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.977 5.369 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.279 4.952 -5.098 1.00 0.00 H new ATOM 766 N PRO A 51 -8.473 10.069 -5.573 1.00 0.00 N ATOM 767 CA PRO A 51 -8.163 11.495 -5.659 1.00 0.00 C ATOM 768 C PRO A 51 -7.805 12.116 -4.293 1.00 0.00 C ATOM 769 O PRO A 51 -7.503 13.312 -4.220 1.00 0.00 O ATOM 770 CB PRO A 51 -9.416 12.122 -6.274 1.00 0.00 C ATOM 771 CG PRO A 51 -10.552 11.272 -5.709 1.00 0.00 C ATOM 772 CD PRO A 51 -9.922 9.891 -5.509 1.00 0.00 C ATOM 0 HA PRO A 51 -7.274 11.677 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.520 13.170 -5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.390 12.085 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.925 11.680 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.397 11.229 -6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.217 9.468 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.260 9.198 -6.279 1.00 0.00 H new ATOM 780 N GLN A 52 -7.872 11.336 -3.206 1.00 0.00 N ATOM 781 CA GLN A 52 -7.440 11.692 -1.856 1.00 0.00 C ATOM 782 C GLN A 52 -6.079 11.050 -1.524 1.00 0.00 C ATOM 783 O GLN A 52 -5.470 11.400 -0.512 1.00 0.00 O ATOM 784 CB GLN A 52 -8.510 11.259 -0.829 1.00 0.00 C ATOM 785 CG GLN A 52 -9.879 11.926 -1.055 1.00 0.00 C ATOM 786 CD GLN A 52 -10.810 11.769 0.152 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.867 12.618 1.033 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.570 10.690 0.242 1.00 0.00 N ATOM 0 H GLN A 52 -8.250 10.390 -3.252 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.319 12.774 -1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.630 10.177 -0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.158 11.499 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.734 12.986 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.352 11.490 -1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.531 9.976 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.195 10.572 1.039 1.00 0.00 H new ATOM 797 N LEU A 53 -5.587 10.126 -2.357 1.00 0.00 N ATOM 798 CA LEU A 53 -4.275 9.484 -2.269 1.00 0.00 C ATOM 799 C LEU A 53 -3.272 10.328 -3.061 1.00 0.00 C ATOM 800 O LEU A 53 -3.668 11.299 -3.712 1.00 0.00 O ATOM 801 CB LEU A 53 -4.402 8.037 -2.794 1.00 0.00 C ATOM 802 CG LEU A 53 -5.011 6.979 -1.839 1.00 0.00 C ATOM 803 CD1 LEU A 53 -3.932 6.066 -1.253 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.806 7.523 -0.655 1.00 0.00 C ATOM 0 H LEU A 53 -6.126 9.789 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.913 9.425 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.008 8.060 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.408 7.696 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.704 6.448 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.394 5.336 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.417 5.546 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.214 6.665 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.183 6.693 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.160 8.149 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.644 8.117 -1.021 1.00 0.00 H new ATOM 816 N GLU A 54 -1.976 10.004 -2.975 1.00 0.00 N ATOM 817 CA GLU A 54 -0.929 10.692 -3.723 1.00 0.00 C ATOM 818 C GLU A 54 -1.048 10.295 -5.189 1.00 0.00 C ATOM 819 O GLU A 54 -1.797 10.924 -5.931 1.00 0.00 O ATOM 820 CB GLU A 54 0.460 10.414 -3.120 1.00 0.00 C ATOM 821 CG GLU A 54 0.690 10.976 -1.703 1.00 0.00 C ATOM 822 CD GLU A 54 0.556 12.497 -1.528 1.00 0.00 C ATOM 823 OE1 GLU A 54 0.543 13.250 -2.525 1.00 0.00 O ATOM 824 OE2 GLU A 54 0.462 12.940 -0.354 1.00 0.00 O ATOM 0 H GLU A 54 -1.627 9.252 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.055 11.772 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.617 9.336 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.216 10.831 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.017 10.493 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.689 10.684 -1.380 1.00 0.00 H new ATOM 831 N GLN A 55 -0.374 9.230 -5.614 1.00 0.00 N ATOM 832 CA GLN A 55 -0.465 8.737 -6.961 1.00 0.00 C ATOM 833 C GLN A 55 -0.116 7.264 -7.061 1.00 0.00 C ATOM 834 O GLN A 55 -0.954 6.546 -7.586 1.00 0.00 O ATOM 835 CB GLN A 55 0.410 9.547 -7.923 1.00 0.00 C ATOM 836 CG GLN A 55 -0.271 9.638 -9.272 1.00 0.00 C ATOM 837 CD GLN A 55 -1.324 10.720 -9.306 1.00 0.00 C ATOM 838 OE1 GLN A 55 -1.083 11.875 -9.641 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.522 10.346 -8.921 1.00 0.00 N ATOM 0 H GLN A 55 0.253 8.689 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.508 8.857 -7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.581 10.546 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.387 9.075 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.475 9.835 -10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.730 8.679 -9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.691 9.378 -8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.284 11.024 -8.895 1.00 0.00 H new ATOM 848 N PRO A 56 1.073 6.780 -6.647 1.00 0.00 N ATOM 849 CA PRO A 56 1.378 5.377 -6.782 1.00 0.00 C ATOM 850 C PRO A 56 0.663 4.641 -5.656 1.00 0.00 C ATOM 851 O PRO A 56 1.135 4.493 -4.522 1.00 0.00 O ATOM 852 CB PRO A 56 2.885 5.253 -6.836 1.00 0.00 C ATOM 853 CG PRO A 56 3.345 6.429 -5.996 1.00 0.00 C ATOM 854 CD PRO A 56 2.237 7.481 -6.128 1.00 0.00 C ATOM 0 HA PRO A 56 1.016 4.909 -7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.228 4.303 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.260 5.313 -7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.488 6.137 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.299 6.817 -6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.018 7.939 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.540 8.284 -6.800 1.00 0.00 H new ATOM 862 N TYR A 57 -0.547 4.239 -5.990 1.00 0.00 N ATOM 863 CA TYR A 57 -1.455 3.470 -5.180 1.00 0.00 C ATOM 864 C TYR A 57 -0.977 2.014 -5.255 1.00 0.00 C ATOM 865 O TYR A 57 -1.115 1.349 -6.286 1.00 0.00 O ATOM 866 CB TYR A 57 -2.876 3.632 -5.748 1.00 0.00 C ATOM 867 CG TYR A 57 -3.270 5.004 -6.273 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.151 6.152 -5.464 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.727 5.131 -7.601 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.543 7.412 -5.962 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.134 6.382 -8.098 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.097 7.516 -7.255 1.00 0.00 C ATOM 873 OH TYR A 57 -4.612 8.706 -7.670 1.00 0.00 O ATOM 0 H TYR A 57 -0.945 4.460 -6.903 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.475 3.798 -4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.998 2.914 -6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.584 3.355 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.759 6.067 -4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.765 4.262 -8.241 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.419 8.296 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.473 6.476 -9.119 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.215 9.059 -6.983 1.00 0.00 H new ATOM 883 N VAL A 58 -0.345 1.525 -4.187 1.00 0.00 N ATOM 884 CA VAL A 58 0.063 0.129 -4.087 1.00 0.00 C ATOM 885 C VAL A 58 -1.183 -0.683 -3.747 1.00 0.00 C ATOM 886 O VAL A 58 -1.633 -0.688 -2.605 1.00 0.00 O ATOM 887 CB VAL A 58 1.191 -0.081 -3.064 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.789 -1.482 -3.276 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.300 0.964 -3.210 1.00 0.00 C ATOM 0 H VAL A 58 -0.103 2.087 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 58 0.483 -0.205 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 58 0.769 0.021 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.592 -1.648 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.013 -2.234 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.187 -1.559 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.076 0.777 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.731 0.900 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.884 1.960 -3.057 1.00 0.00 H new ATOM 899 N PHE A 59 -1.797 -1.307 -4.739 1.00 0.00 N ATOM 900 CA PHE A 59 -2.976 -2.130 -4.586 1.00 0.00 C ATOM 901 C PHE A 59 -2.644 -3.535 -4.126 1.00 0.00 C ATOM 902 O PHE A 59 -1.514 -4.018 -4.235 1.00 0.00 O ATOM 903 CB PHE A 59 -3.714 -2.188 -5.926 1.00 0.00 C ATOM 904 CG PHE A 59 -4.215 -0.861 -6.460 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.739 0.114 -5.594 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.164 -0.609 -7.839 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.209 1.334 -6.106 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.645 0.604 -8.356 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.171 1.578 -7.491 1.00 0.00 C ATOM 0 H PHE A 59 -1.474 -1.250 -5.705 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.603 -1.680 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.048 -2.629 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.565 -2.861 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.780 -0.076 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.753 -1.352 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.600 2.086 -5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.611 0.789 -9.420 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.545 2.510 -7.888 1.00 0.00 H new ATOM 919 N ILE A 60 -3.709 -4.196 -3.680 1.00 0.00 N ATOM 920 CA ILE A 60 -3.741 -5.605 -3.368 1.00 0.00 C ATOM 921 C ILE A 60 -4.876 -6.231 -4.163 1.00 0.00 C ATOM 922 O ILE A 60 -5.998 -5.728 -4.144 1.00 0.00 O ATOM 923 CB ILE A 60 -3.847 -5.823 -1.847 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.165 -5.340 -1.222 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.654 -5.169 -1.163 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.319 -5.738 0.242 1.00 0.00 C ATOM 0 H ILE A 60 -4.606 -3.737 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.814 -6.099 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.840 -6.901 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.222 -4.255 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.000 -5.747 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.724 -5.320 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.732 -5.617 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.651 -4.101 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.270 -5.366 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.293 -6.824 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.503 -5.309 0.824 1.00 0.00 H new ATOM 938 N LYS A 61 -4.601 -7.321 -4.870 1.00 0.00 N ATOM 939 CA LYS A 61 -5.576 -8.069 -5.674 1.00 0.00 C ATOM 940 C LYS A 61 -5.428 -9.548 -5.357 1.00 0.00 C ATOM 941 O LYS A 61 -4.373 -9.935 -4.862 1.00 0.00 O ATOM 942 CB LYS A 61 -5.442 -7.756 -7.176 1.00 0.00 C ATOM 943 CG LYS A 61 -3.992 -7.608 -7.596 1.00 0.00 C ATOM 944 CD LYS A 61 -3.784 -7.631 -9.117 1.00 0.00 C ATOM 945 CE LYS A 61 -2.524 -8.443 -9.379 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.098 -8.536 -10.789 1.00 0.00 N ATOM 0 H LYS A 61 -3.665 -7.726 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.588 -7.758 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.908 -8.553 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.982 -6.837 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.602 -6.671 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.409 -8.412 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.643 -8.079 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.679 -6.619 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.708 -8.008 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.680 -9.453 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.825 -9.516 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.883 -8.250 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.285 -7.907 -10.948 1.00 0.00 H new ATOM 960 N ARG A 62 -6.448 -10.375 -5.619 1.00 0.00 N ATOM 961 CA ARG A 62 -6.579 -11.766 -5.129 1.00 0.00 C ATOM 962 C ARG A 62 -5.555 -12.768 -5.690 1.00 0.00 C ATOM 963 O ARG A 62 -5.789 -13.975 -5.607 1.00 0.00 O ATOM 964 CB ARG A 62 -8.010 -12.312 -5.359 1.00 0.00 C ATOM 965 CG ARG A 62 -9.128 -11.321 -5.025 1.00 0.00 C ATOM 966 CD ARG A 62 -10.496 -11.979 -4.827 1.00 0.00 C ATOM 967 NE ARG A 62 -11.577 -10.980 -4.925 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.889 -11.229 -5.035 1.00 0.00 C ATOM 969 NH1 ARG A 62 -13.372 -12.461 -5.140 1.00 0.00 N ATOM 970 NH2 ARG A 62 -13.740 -10.217 -5.013 1.00 0.00 N ATOM 0 H ARG A 62 -7.237 -10.090 -6.199 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.364 -11.685 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.107 -12.612 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.144 -13.209 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.861 -10.778 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.201 -10.586 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.643 -12.755 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.532 -12.467 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.297 -9.999 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.737 -13.259 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.378 -12.609 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.395 -9.262 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.742 -10.391 -5.096 1.00 0.00 H new ATOM 984 N SER A 63 -4.445 -12.298 -6.248 1.00 0.00 N ATOM 985 CA SER A 63 -3.510 -13.016 -7.102 1.00 0.00 C ATOM 986 C SER A 63 -4.192 -13.367 -8.422 1.00 0.00 C ATOM 987 O SER A 63 -5.416 -13.477 -8.514 1.00 0.00 O ATOM 988 CB SER A 63 -2.958 -14.257 -6.395 1.00 0.00 C ATOM 989 OG SER A 63 -1.800 -14.731 -7.043 1.00 0.00 O ATOM 0 H SER A 63 -4.155 -11.331 -6.103 1.00 0.00 H new ATOM 0 HA SER A 63 -2.656 -12.374 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.726 -14.017 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.717 -15.039 -6.379 1.00 0.00 H new ATOM 0 HG SER A 63 -1.463 -15.523 -6.574 1.00 0.00 H new ATOM 995 N ASP A 64 -3.402 -13.517 -9.480 1.00 0.00 N ATOM 996 CA ASP A 64 -3.939 -13.638 -10.835 1.00 0.00 C ATOM 997 C ASP A 64 -4.377 -15.065 -11.147 1.00 0.00 C ATOM 998 O ASP A 64 -4.894 -15.324 -12.230 1.00 0.00 O ATOM 999 CB ASP A 64 -2.951 -13.078 -11.864 1.00 0.00 C ATOM 1000 CG ASP A 64 -2.775 -11.574 -11.671 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -3.783 -10.833 -11.568 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -1.624 -11.117 -11.511 1.00 0.00 O ATOM 0 H ASP A 64 -2.384 -13.558 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.842 -13.030 -10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.988 -13.579 -11.763 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.312 -13.282 -12.872 1.00 0.00 H new ATOM 1007 N ALA A 65 -4.224 -15.988 -10.193 1.00 0.00 N ATOM 1008 CA ALA A 65 -4.721 -17.356 -10.276 1.00 0.00 C ATOM 1009 C ALA A 65 -5.616 -17.733 -9.083 1.00 0.00 C ATOM 1010 O ALA A 65 -5.949 -18.907 -8.957 1.00 0.00 O ATOM 1011 CB ALA A 65 -3.530 -18.303 -10.434 1.00 0.00 C ATOM 0 H ALA A 65 -3.736 -15.794 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.366 -17.445 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.888 -19.331 -10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.984 -18.052 -11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.868 -18.202 -9.574 1.00 0.00 H new ATOM 1017 N LEU A 66 -5.961 -16.769 -8.213 1.00 0.00 N ATOM 1018 CA LEU A 66 -7.057 -16.758 -7.231 1.00 0.00 C ATOM 1019 C LEU A 66 -7.563 -18.130 -6.753 1.00 0.00 C ATOM 1020 O LEU A 66 -8.486 -18.687 -7.344 1.00 0.00 O ATOM 1021 CB LEU A 66 -8.231 -15.867 -7.678 1.00 0.00 C ATOM 1022 CG LEU A 66 -8.726 -16.140 -9.113 1.00 0.00 C ATOM 1023 CD1 LEU A 66 -10.253 -16.056 -9.204 1.00 0.00 C ATOM 1024 CD2 LEU A 66 -8.102 -15.108 -10.052 1.00 0.00 C ATOM 0 H LEU A 66 -5.431 -15.898 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.585 -16.321 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.062 -16.008 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.928 -14.823 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.428 -17.149 -9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.568 -16.254 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.698 -16.796 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.581 -15.059 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.444 -15.290 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.401 -14.107 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.016 -15.191 -10.014 1.00 0.00 H new ATOM 1036 N SER A 67 -7.020 -18.637 -5.639 1.00 0.00 N ATOM 1037 CA SER A 67 -7.350 -19.947 -5.071 1.00 0.00 C ATOM 1038 C SER A 67 -7.327 -21.050 -6.129 1.00 0.00 C ATOM 1039 O SER A 67 -8.269 -21.837 -6.250 1.00 0.00 O ATOM 1040 CB SER A 67 -8.680 -19.881 -4.310 1.00 0.00 C ATOM 1041 OG SER A 67 -8.451 -19.309 -3.044 1.00 0.00 O ATOM 0 H SER A 67 -6.320 -18.133 -5.094 1.00 0.00 H new ATOM 0 HA SER A 67 -6.576 -20.213 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.404 -19.287 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.103 -20.880 -4.202 1.00 0.00 H new ATOM 0 HG SER A 67 -7.536 -18.961 -3.003 1.00 0.00 H new ATOM 1047 N THR A 68 -6.218 -21.122 -6.862 1.00 0.00 N ATOM 1048 CA THR A 68 -6.000 -22.019 -7.987 1.00 0.00 C ATOM 1049 C THR A 68 -6.478 -23.427 -7.643 1.00 0.00 C ATOM 1050 O THR A 68 -7.388 -23.925 -8.299 1.00 0.00 O ATOM 1051 CB THR A 68 -4.517 -21.995 -8.394 1.00 0.00 C ATOM 1052 OG1 THR A 68 -4.008 -20.672 -8.360 1.00 0.00 O ATOM 1053 CG2 THR A 68 -4.310 -22.552 -9.799 1.00 0.00 C ATOM 0 H THR A 68 -5.411 -20.527 -6.676 1.00 0.00 H new ATOM 0 HA THR A 68 -6.584 -21.680 -8.843 1.00 0.00 H new ATOM 0 HB THR A 68 -3.985 -22.621 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.728 -20.039 -8.565 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.250 -22.519 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.660 -23.584 -9.837 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.872 -21.952 -10.515 1.00 0.00 H new ATOM 1061 N ASN A 69 -5.925 -24.035 -6.588 1.00 0.00 N ATOM 1062 CA ASN A 69 -6.394 -25.296 -6.020 1.00 0.00 C ATOM 1063 C ASN A 69 -6.778 -25.061 -4.557 1.00 0.00 C ATOM 1064 O ASN A 69 -6.314 -25.761 -3.657 1.00 0.00 O ATOM 1065 CB ASN A 69 -5.340 -26.394 -6.226 1.00 0.00 C ATOM 1066 CG ASN A 69 -5.940 -27.795 -6.165 1.00 0.00 C ATOM 1067 OD1 ASN A 69 -6.148 -28.419 -7.200 1.00 0.00 O ATOM 1068 ND2 ASN A 69 -6.218 -28.330 -4.988 1.00 0.00 N ATOM 0 H ASN A 69 -5.118 -23.651 -6.096 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.288 -25.653 -6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.855 -26.251 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.567 -26.299 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.609 -29.270 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.041 -27.802 -4.133 1.00 0.00 H new ATOM 1075 N HIS A 70 -7.587 -24.025 -4.314 1.00 0.00 N ATOM 1076 CA HIS A 70 -8.131 -23.632 -3.017 1.00 0.00 C ATOM 1077 C HIS A 70 -7.106 -23.640 -1.871 1.00 0.00 C ATOM 1078 O HIS A 70 -7.175 -24.446 -0.935 1.00 0.00 O ATOM 1079 CB HIS A 70 -9.428 -24.417 -2.739 1.00 0.00 C ATOM 1080 CG HIS A 70 -10.630 -23.689 -3.283 1.00 0.00 C ATOM 1081 ND1 HIS A 70 -11.674 -23.204 -2.529 1.00 0.00 N ATOM 1082 CD2 HIS A 70 -10.804 -23.253 -4.570 1.00 0.00 C ATOM 1083 CE1 HIS A 70 -12.423 -22.427 -3.327 1.00 0.00 C ATOM 1084 NE2 HIS A 70 -11.953 -22.459 -4.586 1.00 0.00 N ATOM 0 H HIS A 70 -7.895 -23.405 -5.063 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.397 -22.576 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.362 -25.406 -3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.544 -24.565 -1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.171 -23.481 -5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.281 -21.857 -3.004 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.358 -21.993 -5.398 1.00 0.00 H new ATOM 1092 N GLY A 71 -6.201 -22.663 -1.896 1.00 0.00 N ATOM 1093 CA GLY A 71 -5.259 -22.377 -0.826 1.00 0.00 C ATOM 1094 C GLY A 71 -5.389 -20.929 -0.369 1.00 0.00 C ATOM 1095 O GLY A 71 -4.493 -20.136 -0.655 1.00 0.00 O ATOM 0 H GLY A 71 -6.104 -22.030 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.441 -23.047 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.242 -22.566 -1.170 1.00 0.00 H new ATOM 1099 N HIS A 72 -6.484 -20.630 0.342 1.00 0.00 N ATOM 1100 CA HIS A 72 -6.819 -19.365 1.004 1.00 0.00 C ATOM 1101 C HIS A 72 -6.880 -18.140 0.082 1.00 0.00 C ATOM 1102 O HIS A 72 -6.498 -18.153 -1.089 1.00 0.00 O ATOM 1103 CB HIS A 72 -5.878 -19.092 2.189 1.00 0.00 C ATOM 1104 CG HIS A 72 -6.044 -20.017 3.370 1.00 0.00 C ATOM 1105 ND1 HIS A 72 -6.332 -21.368 3.361 1.00 0.00 N ATOM 1106 CD2 HIS A 72 -5.923 -19.630 4.675 1.00 0.00 C ATOM 1107 CE1 HIS A 72 -6.338 -21.794 4.635 1.00 0.00 C ATOM 1108 NE2 HIS A 72 -6.095 -20.768 5.469 1.00 0.00 N ATOM 0 H HIS A 72 -7.218 -21.325 0.480 1.00 0.00 H new ATOM 0 HA HIS A 72 -7.838 -19.509 1.362 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.849 -19.160 1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -6.033 -18.067 2.526 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.730 -18.628 5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.513 -22.814 4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.046 -20.811 6.487 1.00 0.00 H new ATOM 1116 N LYS A 73 -7.367 -17.033 0.648 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.284 -15.707 0.065 1.00 0.00 C ATOM 1118 C LYS A 73 -5.826 -15.240 0.091 1.00 0.00 C ATOM 1119 O LYS A 73 -5.396 -14.528 1.005 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.222 -14.756 0.822 1.00 0.00 C ATOM 1121 CG LYS A 73 -8.437 -13.443 0.064 1.00 0.00 C ATOM 1122 CD LYS A 73 -9.692 -13.500 -0.822 1.00 0.00 C ATOM 1123 CE LYS A 73 -10.960 -13.536 0.052 1.00 0.00 C ATOM 1124 NZ LYS A 73 -11.818 -14.716 -0.201 1.00 0.00 N ATOM 0 H LYS A 73 -7.842 -17.043 1.550 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.608 -15.719 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.183 -15.245 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.806 -14.543 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.530 -12.623 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.564 -13.232 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.720 -12.632 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.656 -14.383 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.668 -13.527 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.540 -12.630 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.652 -14.678 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.125 -14.715 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.280 -15.584 -0.005 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.057 -15.650 -0.908 1.00 0.00 N ATOM 1139 CA VAL A 74 -3.814 -14.990 -1.271 1.00 0.00 C ATOM 1140 C VAL A 74 -4.189 -13.619 -1.821 1.00 0.00 C ATOM 1141 O VAL A 74 -5.206 -13.492 -2.510 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.049 -15.863 -2.289 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -1.669 -15.279 -2.629 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -2.849 -17.286 -1.740 1.00 0.00 C ATOM 0 H VAL A 74 -5.281 -16.455 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.145 -14.858 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.656 -15.886 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.167 -15.926 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.791 -14.285 -3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.069 -15.211 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.308 -17.886 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.277 -17.241 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.820 -17.741 -1.545 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.365 -12.609 -1.562 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.364 -11.389 -2.351 1.00 0.00 C ATOM 1156 C VAL A 75 -1.915 -11.113 -2.762 1.00 0.00 C ATOM 1157 O VAL A 75 -0.993 -11.785 -2.282 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.090 -10.222 -1.633 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.445 -10.654 -1.042 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.248 -9.566 -0.539 1.00 0.00 C ATOM 0 H VAL A 75 -2.684 -12.616 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.953 -11.504 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.261 -9.481 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.915 -9.803 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.093 -11.014 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.288 -11.452 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.816 -8.758 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.993 -10.308 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.334 -9.164 -0.976 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.698 -10.141 -3.638 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.402 -9.857 -4.247 1.00 0.00 C ATOM 1172 C GLU A 76 -0.189 -8.343 -4.268 1.00 0.00 C ATOM 1173 O GLU A 76 -1.163 -7.600 -4.144 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.395 -10.428 -5.677 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.168 -11.935 -5.777 1.00 0.00 C ATOM 1176 CD GLU A 76 1.293 -12.334 -5.566 1.00 0.00 C ATOM 1177 OE1 GLU A 76 1.946 -11.829 -4.624 1.00 0.00 O ATOM 1178 OE2 GLU A 76 1.794 -13.147 -6.375 1.00 0.00 O ATOM 0 H GLU A 76 -2.436 -9.511 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 76 0.405 -10.318 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.347 -10.188 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.382 -9.921 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.788 -12.440 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.496 -12.282 -6.757 1.00 0.00 H new ATOM 1185 N LEU A 77 1.060 -7.892 -4.433 1.00 0.00 N ATOM 1186 CA LEU A 77 1.458 -6.482 -4.388 1.00 0.00 C ATOM 1187 C LEU A 77 1.660 -5.984 -5.812 1.00 0.00 C ATOM 1188 O LEU A 77 2.408 -6.592 -6.586 1.00 0.00 O ATOM 1189 CB LEU A 77 2.752 -6.298 -3.572 1.00 0.00 C ATOM 1190 CG LEU A 77 2.587 -6.576 -2.069 1.00 0.00 C ATOM 1191 CD1 LEU A 77 3.945 -6.593 -1.363 1.00 0.00 C ATOM 1192 CD2 LEU A 77 1.726 -5.515 -1.389 1.00 0.00 C ATOM 0 H LEU A 77 1.846 -8.519 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 77 0.673 -5.905 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.519 -6.961 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.112 -5.278 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 77 2.103 -7.549 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.801 -6.792 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.571 -7.373 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.432 -5.626 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.633 -5.747 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.193 -4.537 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.736 -5.502 -1.846 1.00 0.00 H new ATOM 1204 N VAL A 78 0.996 -4.886 -6.152 1.00 0.00 N ATOM 1205 CA VAL A 78 0.928 -4.294 -7.480 1.00 0.00 C ATOM 1206 C VAL A 78 0.841 -2.796 -7.220 1.00 0.00 C ATOM 1207 O VAL A 78 0.158 -2.399 -6.279 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.348 -4.767 -8.218 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.104 -5.309 -9.630 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.158 -5.829 -7.489 1.00 0.00 C ATOM 0 H VAL A 78 0.459 -4.355 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 78 1.781 -4.571 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.912 -3.835 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.052 -5.617 -10.071 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.347 -4.531 -10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.568 -6.166 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.031 -6.094 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.541 -6.715 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.483 -5.440 -6.524 1.00 0.00 H new ATOM 1220 N ALA A 79 1.499 -1.957 -8.009 1.00 0.00 N ATOM 1221 CA ALA A 79 1.369 -0.511 -7.868 1.00 0.00 C ATOM 1222 C ALA A 79 0.845 0.078 -9.173 1.00 0.00 C ATOM 1223 O ALA A 79 0.894 -0.558 -10.233 1.00 0.00 O ATOM 1224 CB ALA A 79 2.682 0.082 -7.343 1.00 0.00 C ATOM 0 H ALA A 79 2.129 -2.252 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 79 0.627 -0.242 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.578 1.162 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.916 -0.354 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.487 -0.140 -8.043 1.00 0.00 H new ATOM 1230 N GLU A 80 0.249 1.261 -9.085 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.397 1.942 -10.192 1.00 0.00 C ATOM 1232 C GLU A 80 -0.409 3.431 -9.878 1.00 0.00 C ATOM 1233 O GLU A 80 -0.645 3.778 -8.729 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.837 1.427 -10.331 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.042 0.713 -11.669 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.623 1.595 -12.841 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.070 2.765 -12.871 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -0.845 1.103 -13.688 1.00 0.00 O ATOM 0 H GLU A 80 0.202 1.786 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 80 0.135 1.757 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.062 0.743 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.534 2.261 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.464 -0.211 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.090 0.435 -11.778 1.00 0.00 H new ATOM 1245 N MET A 81 -0.194 4.294 -10.868 1.00 0.00 N ATOM 1246 CA MET A 81 0.033 5.736 -10.697 1.00 0.00 C ATOM 1247 C MET A 81 -1.105 6.577 -11.283 1.00 0.00 C ATOM 1248 O MET A 81 -0.935 7.740 -11.636 1.00 0.00 O ATOM 1249 CB MET A 81 1.392 6.124 -11.283 1.00 0.00 C ATOM 1250 CG MET A 81 1.522 5.747 -12.768 1.00 0.00 C ATOM 1251 SD MET A 81 3.093 6.173 -13.576 1.00 0.00 S ATOM 1252 CE MET A 81 3.450 7.819 -12.902 1.00 0.00 C ATOM 0 H MET A 81 -0.171 4.004 -11.846 1.00 0.00 H new ATOM 0 HA MET A 81 0.044 5.952 -9.629 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.540 7.198 -11.170 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.182 5.632 -10.716 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.370 4.672 -12.862 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.714 6.232 -13.316 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.295 8.255 -13.435 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.576 8.459 -13.023 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.694 7.734 -11.843 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.261 5.955 -11.450 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.474 6.486 -12.067 1.00 0.00 C ATOM 1264 C ASP A 82 -4.578 5.495 -11.702 1.00 0.00 C ATOM 1265 O ASP A 82 -5.696 5.858 -11.323 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.256 6.547 -13.590 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.409 7.116 -14.423 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.603 6.876 -14.131 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -4.114 7.759 -15.458 1.00 0.00 O ATOM 0 H ASP A 82 -2.389 4.993 -11.135 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.731 7.490 -11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.367 7.147 -13.784 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.044 5.539 -13.945 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.216 4.212 -11.704 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.095 3.105 -11.429 1.00 0.00 C ATOM 1276 C GLY A 83 -5.596 2.525 -12.744 1.00 0.00 C ATOM 1277 O GLY A 83 -6.712 2.011 -12.794 1.00 0.00 O ATOM 0 H GLY A 83 -3.261 3.917 -11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.569 2.340 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.936 3.436 -10.820 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.767 2.599 -13.797 1.00 0.00 N ATOM 1282 CA ILE A 84 -4.995 2.094 -15.150 1.00 0.00 C ATOM 1283 C ILE A 84 -5.694 0.740 -15.097 1.00 0.00 C ATOM 1284 O ILE A 84 -6.738 0.532 -15.723 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.617 2.003 -15.854 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.163 3.403 -16.306 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.591 0.983 -17.000 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.657 3.510 -16.586 1.00 0.00 C ATOM 0 H ILE A 84 -3.855 3.047 -13.713 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.647 2.762 -15.712 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.900 1.626 -15.125 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.710 3.678 -17.208 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.432 4.127 -15.537 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.599 0.968 -17.451 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.828 -0.007 -16.611 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.328 1.263 -17.753 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.416 4.526 -16.899 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.100 3.268 -15.681 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.384 2.812 -17.377 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.107 -0.183 -14.344 1.00 0.00 N ATOM 1301 CA GLN A 85 -5.643 -1.493 -14.084 1.00 0.00 C ATOM 1302 C GLN A 85 -5.722 -1.675 -12.583 1.00 0.00 C ATOM 1303 O GLN A 85 -5.100 -0.939 -11.815 1.00 0.00 O ATOM 1304 CB GLN A 85 -4.763 -2.562 -14.763 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.173 -2.792 -16.227 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.627 -3.250 -16.331 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.116 -4.000 -15.489 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.372 -2.768 -17.308 1.00 0.00 N ATOM 0 H GLN A 85 -4.210 -0.023 -13.885 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.644 -1.602 -14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.719 -2.253 -14.722 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.840 -3.500 -14.212 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.038 -1.871 -16.794 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.521 -3.541 -16.676 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.961 -2.146 -18.004 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.359 -3.017 -17.367 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.491 -2.683 -12.191 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.704 -3.164 -10.833 1.00 0.00 C ATOM 1319 C TYR A 86 -7.486 -2.169 -9.964 1.00 0.00 C ATOM 1320 O TYR A 86 -8.401 -2.600 -9.265 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.369 -3.568 -10.188 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.420 -4.313 -11.110 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.704 -5.637 -11.486 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.262 -3.679 -11.604 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.780 -6.367 -12.251 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.364 -4.375 -12.432 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.604 -5.738 -12.721 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.700 -6.480 -13.413 1.00 0.00 O ATOM 0 H TYR A 86 -7.024 -3.228 -12.869 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.332 -4.053 -10.899 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.870 -2.670 -9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.575 -4.193 -9.319 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.635 -6.094 -11.186 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.063 -2.650 -11.344 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.967 -7.406 -12.480 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.500 -3.874 -12.843 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.943 -5.914 -13.673 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.178 -0.870 -9.996 1.00 0.00 N ATOM 1339 CA GLY A 87 -7.846 0.183 -9.241 1.00 0.00 C ATOM 1340 C GLY A 87 -9.362 0.035 -9.315 1.00 0.00 C ATOM 1341 O GLY A 87 -9.907 -0.185 -10.399 1.00 0.00 O ATOM 0 H GLY A 87 -6.420 -0.511 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.525 0.148 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.553 1.157 -9.633 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.030 0.074 -8.157 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.484 -0.048 -8.002 1.00 0.00 C ATOM 1347 C ARG A 88 -12.098 -1.339 -8.577 1.00 0.00 C ATOM 1348 O ARG A 88 -13.313 -1.515 -8.490 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.130 1.248 -8.518 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.540 1.478 -7.944 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.541 1.692 -9.071 1.00 0.00 C ATOM 1352 NE ARG A 88 -14.398 3.049 -9.611 1.00 0.00 N ATOM 1353 CZ ARG A 88 -14.748 3.515 -10.809 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -15.298 2.745 -11.742 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.548 4.803 -11.054 1.00 0.00 N ATOM 0 H ARG A 88 -9.552 0.197 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.708 -0.163 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.494 2.094 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.186 1.213 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.839 0.621 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.534 2.345 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.377 0.958 -9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.556 1.542 -8.702 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.972 3.730 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.467 1.757 -11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.551 3.142 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.139 5.401 -10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.804 5.195 -11.960 1.00 0.00 H new ATOM 1369 N SER A 89 -11.324 -2.283 -9.115 1.00 0.00 N ATOM 1370 CA SER A 89 -11.851 -3.549 -9.603 1.00 0.00 C ATOM 1371 C SER A 89 -12.222 -4.446 -8.423 1.00 0.00 C ATOM 1372 O SER A 89 -11.623 -4.332 -7.355 1.00 0.00 O ATOM 1373 CB SER A 89 -10.806 -4.210 -10.504 1.00 0.00 C ATOM 1374 OG SER A 89 -11.420 -5.152 -11.363 1.00 0.00 O ATOM 0 H SER A 89 -10.314 -2.187 -9.223 1.00 0.00 H new ATOM 0 HA SER A 89 -12.755 -3.381 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.293 -3.451 -11.094 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.050 -4.704 -9.893 1.00 0.00 H new ATOM 0 HG SER A 89 -10.740 -5.566 -11.935 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.163 -5.376 -8.605 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.618 -6.252 -7.526 1.00 0.00 C ATOM 1382 C GLY A 90 -12.576 -7.296 -7.121 1.00 0.00 C ATOM 1383 O GLY A 90 -12.626 -7.812 -5.999 1.00 0.00 O ATOM 0 H GLY A 90 -13.627 -5.541 -9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.873 -5.646 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.530 -6.760 -7.839 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.607 -7.598 -7.991 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.435 -8.390 -7.625 1.00 0.00 C ATOM 1389 C ILE A 91 -9.593 -7.671 -6.564 1.00 0.00 C ATOM 1390 O ILE A 91 -8.854 -8.320 -5.820 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.619 -8.728 -8.894 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.627 -9.868 -8.640 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.865 -7.533 -9.503 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -8.041 -10.451 -9.931 1.00 0.00 C ATOM 0 H ILE A 91 -11.616 -7.300 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.760 -9.328 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.370 -9.037 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.815 -9.502 -8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.128 -10.661 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.320 -7.860 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.578 -6.757 -9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.162 -7.135 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.346 -11.254 -9.685 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.846 -10.845 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.513 -9.669 -10.477 1.00 0.00 H new ATOM 1406 N THR A 92 -9.695 -6.349 -6.479 1.00 0.00 N ATOM 1407 CA THR A 92 -8.772 -5.529 -5.729 1.00 0.00 C ATOM 1408 C THR A 92 -9.431 -5.163 -4.404 1.00 0.00 C ATOM 1409 O THR A 92 -10.607 -4.797 -4.362 1.00 0.00 O ATOM 1410 CB THR A 92 -8.371 -4.315 -6.570 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.090 -4.753 -7.882 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.113 -3.624 -6.045 1.00 0.00 C ATOM 0 H THR A 92 -10.434 -5.817 -6.938 1.00 0.00 H new ATOM 0 HA THR A 92 -7.848 -6.061 -5.501 1.00 0.00 H new ATOM 0 HB THR A 92 -9.198 -3.606 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.150 -3.995 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.875 -2.770 -6.680 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.285 -3.281 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.280 -4.327 -6.056 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.704 -5.311 -3.298 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.303 -5.255 -1.969 1.00 0.00 C ATOM 1422 C LEU A 93 -9.063 -3.883 -1.337 1.00 0.00 C ATOM 1423 O LEU A 93 -9.948 -3.372 -0.654 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.842 -6.422 -1.089 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.968 -7.789 -1.800 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -7.647 -8.246 -2.432 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.452 -8.852 -0.826 1.00 0.00 C ATOM 0 H LEU A 93 -7.697 -5.471 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.382 -5.376 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.804 -6.263 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.433 -6.437 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.695 -7.658 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.791 -9.211 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.324 -7.512 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.886 -8.340 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.535 -9.808 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.741 -8.944 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.427 -8.567 -0.431 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.922 -3.244 -1.608 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.603 -1.913 -1.100 1.00 0.00 C ATOM 1441 C GLY A 94 -6.265 -1.444 -1.646 1.00 0.00 C ATOM 1442 O GLY A 94 -5.710 -2.072 -2.556 1.00 0.00 O ATOM 0 H GLY A 94 -7.188 -3.643 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.386 -1.211 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.572 -1.930 -0.011 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.772 -0.344 -1.089 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.438 0.191 -1.277 1.00 0.00 C ATOM 1448 C VAL A 95 -3.701 0.025 0.064 1.00 0.00 C ATOM 1449 O VAL A 95 -4.320 0.141 1.126 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.500 1.675 -1.722 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.197 2.075 -2.421 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.678 2.066 -2.633 1.00 0.00 C ATOM 0 H VAL A 95 -6.331 0.229 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.906 -0.340 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.654 2.217 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.255 3.119 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.361 1.944 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.047 1.446 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.613 3.126 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.638 1.480 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.618 1.869 -2.117 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.396 -0.249 0.042 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.535 -0.175 1.216 1.00 0.00 C ATOM 1464 C LEU A 96 -1.163 1.277 1.473 1.00 0.00 C ATOM 1465 O LEU A 96 -1.078 2.062 0.526 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.219 -0.936 0.975 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.270 -2.470 0.971 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.450 -3.087 1.729 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.260 -2.989 -0.459 1.00 0.00 C ATOM 0 H LEU A 96 -1.904 -0.532 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.075 -0.610 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.185 -0.612 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.492 -0.626 1.741 1.00 0.00 H new ATOM 0 HG LEU A 96 0.623 -2.783 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.395 -4.174 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.411 -2.781 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.386 -2.745 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.296 -4.078 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.127 -2.601 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.651 -2.660 -0.959 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.847 1.595 2.726 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.367 2.905 3.153 1.00 0.00 C ATOM 1483 C VAL A 97 0.625 2.747 4.319 1.00 0.00 C ATOM 1484 O VAL A 97 0.513 1.765 5.061 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.559 3.781 3.575 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.462 4.131 2.384 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.416 3.134 4.687 1.00 0.00 C ATOM 0 H VAL A 97 -0.920 0.928 3.494 1.00 0.00 H new ATOM 0 HA VAL A 97 0.148 3.389 2.323 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.117 4.695 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.291 4.750 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.885 4.677 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.852 3.214 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.242 3.798 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.812 2.182 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.799 2.965 5.570 1.00 0.00 H new ATOM 1497 N PRO A 98 1.577 3.677 4.513 1.00 0.00 N ATOM 1498 CA PRO A 98 2.439 3.701 5.685 1.00 0.00 C ATOM 1499 C PRO A 98 1.700 4.082 6.965 1.00 0.00 C ATOM 1500 O PRO A 98 1.323 5.235 7.149 1.00 0.00 O ATOM 1501 CB PRO A 98 3.639 4.577 5.340 1.00 0.00 C ATOM 1502 CG PRO A 98 3.270 5.309 4.046 1.00 0.00 C ATOM 1503 CD PRO A 98 1.894 4.792 3.630 1.00 0.00 C ATOM 0 HA PRO A 98 2.798 2.700 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.849 5.285 6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.536 3.973 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.247 6.387 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.008 5.116 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.144 5.578 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.901 4.470 2.589 1.00 0.00 H new ATOM 1511 N HIS A 99 1.510 3.072 7.825 1.00 0.00 N ATOM 1512 CA HIS A 99 0.964 3.193 9.165 1.00 0.00 C ATOM 1513 C HIS A 99 1.980 3.920 10.039 1.00 0.00 C ATOM 1514 O HIS A 99 3.089 3.416 10.234 1.00 0.00 O ATOM 1515 CB HIS A 99 0.682 1.795 9.755 1.00 0.00 C ATOM 1516 CG HIS A 99 0.451 1.801 11.250 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.317 1.301 12.199 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.582 2.403 11.916 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.804 1.568 13.410 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.370 2.216 13.292 1.00 0.00 N ATOM 0 H HIS A 99 1.746 2.109 7.586 1.00 0.00 H new ATOM 0 HA HIS A 99 0.028 3.751 9.129 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.194 1.373 9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.522 1.139 9.529 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.411 2.928 11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.268 1.300 14.348 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.984 2.512 14.051 1.00 0.00 H new ATOM 1528 N VAL A 100 1.565 5.036 10.628 1.00 0.00 N ATOM 1529 CA VAL A 100 2.324 5.816 11.594 1.00 0.00 C ATOM 1530 C VAL A 100 1.464 6.149 12.828 1.00 0.00 C ATOM 1531 O VAL A 100 1.643 7.188 13.467 1.00 0.00 O ATOM 1532 CB VAL A 100 2.903 7.067 10.891 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.882 6.692 9.766 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.799 7.968 10.311 1.00 0.00 C ATOM 0 H VAL A 100 0.648 5.439 10.435 1.00 0.00 H new ATOM 0 HA VAL A 100 3.165 5.234 11.972 1.00 0.00 H new ATOM 0 HB VAL A 100 3.440 7.618 11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.265 7.600 9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.712 6.120 10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.364 6.090 9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.252 8.833 9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.218 7.406 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.144 8.304 11.115 1.00 0.00 H new ATOM 1544 N GLY A 101 0.618 5.218 13.281 1.00 0.00 N ATOM 1545 CA GLY A 101 -0.101 5.332 14.548 1.00 0.00 C ATOM 1546 C GLY A 101 -1.460 6.019 14.459 1.00 0.00 C ATOM 1547 O GLY A 101 -2.027 6.349 15.500 1.00 0.00 O ATOM 0 H GLY A 101 0.413 4.358 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.242 4.333 14.959 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.522 5.882 15.254 1.00 0.00 H new ATOM 1551 N GLU A 102 -2.012 6.192 13.258 1.00 0.00 N ATOM 1552 CA GLU A 102 -3.170 7.022 12.899 1.00 0.00 C ATOM 1553 C GLU A 102 -4.510 6.565 13.481 1.00 0.00 C ATOM 1554 O GLU A 102 -5.559 7.155 13.210 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.334 7.094 11.383 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.044 7.390 10.637 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.421 6.116 10.076 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.165 5.185 10.871 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.192 6.041 8.860 1.00 0.00 O ATOM 0 H GLU A 102 -1.631 5.716 12.440 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.938 7.993 13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.739 6.147 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.066 7.865 11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.244 8.088 9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.337 7.877 11.309 1.00 0.00 H new ATOM 1566 N THR A 103 -4.443 5.484 14.242 1.00 0.00 N ATOM 1567 CA THR A 103 -5.469 4.776 14.981 1.00 0.00 C ATOM 1568 C THR A 103 -6.391 4.027 14.012 1.00 0.00 C ATOM 1569 O THR A 103 -7.224 4.639 13.335 1.00 0.00 O ATOM 1570 CB THR A 103 -6.163 5.750 15.933 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.252 6.082 16.969 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.457 5.193 16.537 1.00 0.00 C ATOM 0 H THR A 103 -3.542 5.023 14.370 1.00 0.00 H new ATOM 0 HA THR A 103 -5.045 3.998 15.615 1.00 0.00 H new ATOM 0 HB THR A 103 -6.452 6.630 15.358 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.678 6.708 17.591 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.897 5.936 17.202 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.161 4.960 15.738 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.235 4.287 17.101 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.232 2.700 13.881 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.069 1.922 12.993 1.00 0.00 C ATOM 1582 C PRO A 104 -8.485 1.794 13.517 1.00 0.00 C ATOM 1583 O PRO A 104 -8.781 2.059 14.683 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.394 0.564 12.887 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.685 0.408 14.224 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.282 1.839 14.570 1.00 0.00 C ATOM 0 HA PRO A 104 -7.165 2.403 12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.120 -0.232 12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.691 0.530 12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.342 -0.020 14.981 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.818 -0.248 14.147 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.315 2.004 15.647 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.262 2.046 14.247 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.341 1.305 12.632 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.746 1.048 12.876 1.00 0.00 C ATOM 1596 C ILE A 105 -11.050 -0.447 12.745 1.00 0.00 C ATOM 1597 O ILE A 105 -12.032 -0.912 13.325 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.598 1.928 11.933 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.234 1.764 10.432 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.530 3.397 12.394 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.212 2.770 9.885 1.00 0.00 C ATOM 0 H ILE A 105 -9.058 1.067 11.681 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.006 1.320 13.899 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.629 1.582 12.004 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.845 0.758 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.148 1.845 9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.131 4.016 11.728 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.915 3.478 13.410 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.495 3.738 12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.030 2.566 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.601 3.782 9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.278 2.677 10.439 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.209 -1.211 12.038 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.322 -2.653 11.866 1.00 0.00 C ATOM 1615 C ALA A 106 -8.947 -3.232 11.537 1.00 0.00 C ATOM 1616 O ALA A 106 -7.971 -2.485 11.463 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.343 -2.959 10.760 1.00 0.00 C ATOM 0 H ALA A 106 -9.401 -0.820 11.553 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.675 -3.117 12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.428 -4.038 10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.314 -2.550 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.013 -2.507 9.825 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.869 -4.544 11.304 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.707 -5.237 10.747 1.00 0.00 C ATOM 1625 C TYR A 107 -8.181 -6.101 9.572 1.00 0.00 C ATOM 1626 O TYR A 107 -9.353 -6.483 9.508 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.965 -6.068 11.820 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.948 -5.280 12.636 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.351 -4.207 13.458 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.576 -5.577 12.518 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.396 -3.398 14.097 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.615 -4.791 13.175 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.023 -3.695 13.963 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.085 -2.902 14.550 1.00 0.00 O ATOM 0 H TYR A 107 -9.643 -5.176 11.506 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.981 -4.507 10.388 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.700 -6.501 12.499 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.455 -6.898 11.331 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.403 -4.005 13.598 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.260 -6.417 11.917 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.712 -2.552 14.689 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.565 -5.026 13.077 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.191 -3.254 14.356 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.283 -6.428 8.644 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.503 -7.265 7.470 1.00 0.00 C ATOM 1646 C ARG A 108 -6.370 -8.287 7.424 1.00 0.00 C ATOM 1647 O ARG A 108 -5.231 -7.932 7.708 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.531 -6.381 6.209 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.751 -6.691 5.334 1.00 0.00 C ATOM 1650 CD ARG A 108 -10.053 -6.201 5.983 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.582 -4.957 5.390 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.766 -4.405 5.699 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.604 -5.011 6.530 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.114 -3.238 5.174 1.00 0.00 N ATOM 0 H ARG A 108 -6.321 -6.093 8.697 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.458 -7.787 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.548 -5.331 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.619 -6.538 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -8.630 -6.218 4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.812 -7.766 5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.808 -6.983 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.880 -6.040 7.047 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.006 -4.482 4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.352 -5.909 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.500 -4.579 6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.481 -2.758 4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.014 -2.821 5.410 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.644 -9.532 7.033 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.662 -10.622 7.007 1.00 0.00 C ATOM 1670 C ASN A 109 -5.737 -11.325 5.664 1.00 0.00 C ATOM 1671 O ASN A 109 -6.835 -11.559 5.152 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.825 -11.646 8.153 1.00 0.00 C ATOM 1673 CG ASN A 109 -6.946 -11.349 9.133 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -6.865 -10.408 9.919 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.020 -12.112 9.090 1.00 0.00 N ATOM 0 H ASN A 109 -7.571 -9.819 6.719 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.683 -10.167 7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.997 -12.630 7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.887 -11.701 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.803 -11.926 9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.068 -12.888 8.430 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.577 -11.670 5.110 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.380 -12.247 3.787 1.00 0.00 C ATOM 1684 C VAL A 110 -3.194 -13.215 3.837 1.00 0.00 C ATOM 1685 O VAL A 110 -2.545 -13.371 4.869 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.129 -11.125 2.756 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.401 -10.313 2.500 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.979 -10.187 3.166 1.00 0.00 C ATOM 0 H VAL A 110 -3.695 -11.545 5.607 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.273 -12.793 3.483 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.832 -11.623 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.193 -9.531 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.181 -10.970 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.737 -9.859 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.848 -9.418 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.216 -9.716 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.058 -10.762 3.264 1.00 0.00 H new ATOM 1698 N LEU A 111 -2.883 -13.868 2.723 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.611 -14.537 2.497 1.00 0.00 C ATOM 1700 C LEU A 111 -0.800 -13.700 1.502 1.00 0.00 C ATOM 1701 O LEU A 111 -1.377 -12.985 0.675 1.00 0.00 O ATOM 1702 CB LEU A 111 -1.928 -15.903 1.863 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.140 -17.121 2.749 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -0.875 -17.511 3.497 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.354 -16.959 3.666 1.00 0.00 C ATOM 0 H LEU A 111 -3.525 -13.948 1.934 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.048 -14.658 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.828 -15.780 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.115 -16.139 1.177 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.370 -17.960 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.074 -18.385 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.087 -17.745 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.556 -16.683 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.467 -17.852 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.210 -16.091 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.250 -16.818 3.062 1.00 0.00 H new ATOM 1717 N LEU A 112 0.524 -13.864 1.509 1.00 0.00 N ATOM 1718 CA LEU A 112 1.474 -13.322 0.535 1.00 0.00 C ATOM 1719 C LEU A 112 2.130 -14.488 -0.190 1.00 0.00 C ATOM 1720 O LEU A 112 2.485 -15.497 0.425 1.00 0.00 O ATOM 1721 CB LEU A 112 2.585 -12.494 1.220 1.00 0.00 C ATOM 1722 CG LEU A 112 3.045 -11.223 0.461 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.447 -10.845 0.943 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.133 -11.321 -1.071 1.00 0.00 C ATOM 0 H LEU A 112 0.989 -14.409 2.235 1.00 0.00 H new ATOM 0 HA LEU A 112 0.931 -12.671 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.234 -12.197 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.451 -13.138 1.370 1.00 0.00 H new ATOM 0 HG LEU A 112 2.267 -10.492 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.784 -9.952 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.422 -10.648 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.135 -11.666 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.466 -10.366 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.844 -12.100 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.152 -11.566 -1.477 1.00 0.00 H new ATOM 1736 N ARG A 113 2.352 -14.341 -1.492 1.00 0.00 N ATOM 1737 CA ARG A 113 2.958 -15.316 -2.384 1.00 0.00 C ATOM 1738 C ARG A 113 4.484 -15.386 -2.248 1.00 0.00 C ATOM 1739 O ARG A 113 5.182 -15.511 -3.254 1.00 0.00 O ATOM 1740 CB ARG A 113 2.472 -14.927 -3.787 1.00 0.00 C ATOM 1741 CG ARG A 113 2.505 -16.060 -4.814 1.00 0.00 C ATOM 1742 CD ARG A 113 1.149 -16.197 -5.529 1.00 0.00 C ATOM 1743 NE ARG A 113 1.291 -16.866 -6.828 1.00 0.00 N ATOM 1744 CZ ARG A 113 1.481 -18.165 -7.083 1.00 0.00 C ATOM 1745 NH1 ARG A 113 1.454 -19.069 -6.107 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.695 -18.548 -8.334 1.00 0.00 N ATOM 0 H ARG A 113 2.096 -13.483 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 113 2.655 -16.334 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.451 -14.553 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.086 -14.105 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.289 -15.868 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.755 -16.998 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.461 -16.762 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.711 -15.209 -5.673 1.00 0.00 H new ATOM 0 HE ARG A 113 1.238 -16.259 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.286 -18.776 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.601 -20.055 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.713 -17.856 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.842 -19.535 -8.547 1.00 0.00 H new ATOM 1760 N LYS A 114 4.999 -15.349 -1.012 1.00 0.00 N ATOM 1761 CA LYS A 114 6.432 -15.436 -0.689 1.00 0.00 C ATOM 1762 C LYS A 114 7.227 -14.406 -1.496 1.00 0.00 C ATOM 1763 O LYS A 114 6.651 -13.393 -1.900 1.00 0.00 O ATOM 1764 CB LYS A 114 6.896 -16.897 -0.858 1.00 0.00 C ATOM 1765 CG LYS A 114 6.135 -17.894 0.034 1.00 0.00 C ATOM 1766 CD LYS A 114 7.028 -18.680 0.999 1.00 0.00 C ATOM 1767 CE LYS A 114 7.688 -17.795 2.064 1.00 0.00 C ATOM 1768 NZ LYS A 114 8.678 -18.559 2.842 1.00 0.00 N ATOM 0 H LYS A 114 4.413 -15.255 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 114 6.619 -15.174 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.774 -17.189 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.960 -16.960 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.386 -17.351 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.599 -18.598 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.432 -19.448 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.803 -19.194 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.173 -16.944 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.926 -17.393 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.111 -17.939 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.207 -19.356 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.416 -18.921 2.205 1.00 0.00 H new ATOM 1782 N ASN A 115 8.541 -14.581 -1.643 1.00 0.00 N ATOM 1783 CA ASN A 115 9.367 -13.781 -2.543 1.00 0.00 C ATOM 1784 C ASN A 115 9.986 -14.770 -3.512 1.00 0.00 C ATOM 1785 O ASN A 115 9.347 -15.153 -4.492 1.00 0.00 O ATOM 1786 CB ASN A 115 10.392 -12.943 -1.762 1.00 0.00 C ATOM 1787 CG ASN A 115 9.745 -11.769 -1.049 1.00 0.00 C ATOM 1788 OD1 ASN A 115 8.815 -11.142 -1.552 1.00 0.00 O ATOM 1789 ND2 ASN A 115 10.217 -11.456 0.141 1.00 0.00 N ATOM 0 H ASN A 115 9.066 -15.291 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 115 8.789 -13.038 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 115 10.897 -13.576 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 115 11.156 -12.575 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.810 -10.680 0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 115 10.989 -11.990 0.540 1.00 0.00 H new ATOM 1796 N GLY A 116 11.167 -15.289 -3.176 1.00 0.00 N ATOM 1797 CA GLY A 116 11.521 -16.670 -3.443 1.00 0.00 C ATOM 1798 C GLY A 116 11.433 -17.416 -2.125 1.00 0.00 C ATOM 1799 O GLY A 116 12.211 -18.374 -1.965 1.00 0.00 O ATOM 0 H GLY A 116 11.902 -14.757 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.844 -17.106 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.527 -16.737 -3.857 1.00 0.00 H new TER 1803 GLY A 116