USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 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 75 HIS : no HD1:sc= -3.95! K(o=-5!,f=-1.4) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.08 K(o=-5,f=-2) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.834 K(o=-6.1,f=-10!) USER MOD Set 2.2: A 28 MET CE :methyl -171:sc= -5.31! (180deg=-5.68!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 89:sc= 1.4 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 143:sc= 0.599 (180deg=0.0869) USER MOD Single : A 6 GLN : amide:sc= 0.977 K(o=0.98,f=-6.1!) USER MOD Single : A 12 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.47) USER MOD Single : A 14 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-8.3!) USER MOD Single : A 17 TYR OH : rot -56:sc= 0.0303 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.203 K(o=-0.2,f=-1!) USER MOD Single : A 30 SER OG : rot 75:sc= 1.22 USER MOD Single : A 32 MET CE :methyl -151:sc= -3.23! (180deg=-3.89!) USER MOD Single : A 36 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.3) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -149:sc= -0.0592 USER MOD Single : A 52 SER OG : rot 61:sc= 1.26 USER MOD Single : A 54 HIS : no HD1:sc= 0.569 K(o=0.57,f=-4.8!) USER MOD Single : A 56 GLN : amide:sc= -3.28! K(o=-3.3!,f=-0.37) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= -0.133 (180deg=-0.714) USER MOD Single : A 59 SER OG : rot 73:sc= 0.832 USER MOD Single : A 60 THR OG1 : rot -73:sc= 0.672 USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.07) USER MOD Single : A 84 SER OG : rot 90:sc= 1.3 USER MOD Single : A 85 ASN : amide:sc= -1.15! K(o=-1.1!,f=-0.58) USER MOD Single : A 86 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.147 USER MOD Single : A 92 SER OG : rot 105:sc= 0.569 USER MOD Single : A 93 ASN : amide:sc= 0.727 K(o=0.73,f=-4.8!) USER MOD Single : A 95 TYR OH : rot 124:sc= 0.00819 USER MOD Single : A 96 THR OG1 : rot 50:sc= -1.29 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -179:sc= -0.766 USER MOD Single : A 101 GLN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 104 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-0.9) USER MOD Single : A 105 SER OG : rot 78:sc= 1.29 USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.54) USER MOD Single : A 112 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.56) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.22) USER MOD Single : A 125 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 126 SER OG : rot 83:sc= 1.21 USER MOD Single : A 127 LYS NZ :NH3+ 153:sc= 2.28 (180deg=1.28) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 129 GLN : amide:sc= 0.656 K(o=0.66,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.018 -3.009 3.580 1.00 0.00 N ATOM 2 CA GLY A 1 -27.708 -2.522 3.085 1.00 0.00 C ATOM 3 C GLY A 1 -27.133 -1.442 3.975 1.00 0.00 C ATOM 4 O GLY A 1 -26.807 -0.350 3.504 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.377 -3.748 2.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.903 -3.403 4.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.693 -2.219 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.009 -3.356 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.824 -2.134 2.073 1.00 0.00 H new ATOM 10 N SER A 2 -27.004 -1.747 5.259 1.00 0.00 N ATOM 11 CA SER A 2 -26.516 -0.782 6.232 1.00 0.00 C ATOM 12 C SER A 2 -24.994 -0.629 6.151 1.00 0.00 C ATOM 13 O SER A 2 -24.486 0.361 5.618 1.00 0.00 O ATOM 14 CB SER A 2 -26.937 -1.218 7.637 1.00 0.00 C ATOM 15 OG SER A 2 -27.536 -2.506 7.599 1.00 0.00 O ATOM 0 H SER A 2 -27.232 -2.660 5.652 1.00 0.00 H new ATOM 0 HA SER A 2 -26.955 0.190 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.068 -1.234 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.639 -0.496 8.053 1.00 0.00 H new ATOM 0 HG SER A 2 -26.844 -3.192 7.707 1.00 0.00 H new ATOM 21 N THR A 3 -24.272 -1.616 6.654 1.00 0.00 N ATOM 22 CA THR A 3 -22.822 -1.540 6.711 1.00 0.00 C ATOM 23 C THR A 3 -22.169 -2.797 6.153 1.00 0.00 C ATOM 24 O THR A 3 -21.064 -2.748 5.626 1.00 0.00 O ATOM 25 CB THR A 3 -22.341 -1.322 8.156 1.00 0.00 C ATOM 26 OG1 THR A 3 -23.456 -0.984 8.994 1.00 0.00 O ATOM 27 CG2 THR A 3 -21.296 -0.223 8.215 1.00 0.00 C ATOM 0 H THR A 3 -24.666 -2.479 7.029 1.00 0.00 H new ATOM 0 HA THR A 3 -22.526 -0.690 6.095 1.00 0.00 H new ATOM 0 HB THR A 3 -21.888 -2.247 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 3 -23.145 -0.848 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.970 -0.086 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 3 -20.441 -0.500 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.725 0.707 7.843 1.00 0.00 H new ATOM 35 N GLU A 4 -22.878 -3.915 6.239 1.00 0.00 N ATOM 36 CA GLU A 4 -22.339 -5.219 5.849 1.00 0.00 C ATOM 37 C GLU A 4 -22.006 -5.278 4.360 1.00 0.00 C ATOM 38 O GLU A 4 -21.224 -6.120 3.925 1.00 0.00 O ATOM 39 CB GLU A 4 -23.331 -6.326 6.205 1.00 0.00 C ATOM 40 CG GLU A 4 -24.163 -6.034 7.447 1.00 0.00 C ATOM 41 CD GLU A 4 -25.450 -5.304 7.132 1.00 0.00 C ATOM 42 OE1 GLU A 4 -25.439 -4.057 7.104 1.00 0.00 O ATOM 43 OE2 GLU A 4 -26.481 -5.973 6.906 1.00 0.00 O ATOM 0 H GLU A 4 -23.839 -3.948 6.579 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.411 -5.367 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -24.001 -6.485 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -22.783 -7.256 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.397 -6.972 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.573 -5.437 8.142 1.00 0.00 H new ATOM 50 N LYS A 5 -22.590 -4.376 3.591 1.00 0.00 N ATOM 51 CA LYS A 5 -22.336 -4.308 2.161 1.00 0.00 C ATOM 52 C LYS A 5 -21.178 -3.365 1.910 1.00 0.00 C ATOM 53 O LYS A 5 -20.425 -3.525 0.955 1.00 0.00 O ATOM 54 CB LYS A 5 -23.601 -3.862 1.409 1.00 0.00 C ATOM 55 CG LYS A 5 -23.534 -2.453 0.835 1.00 0.00 C ATOM 56 CD LYS A 5 -24.715 -1.611 1.281 1.00 0.00 C ATOM 57 CE LYS A 5 -25.000 -0.486 0.300 1.00 0.00 C ATOM 58 NZ LYS A 5 -26.294 0.187 0.587 1.00 0.00 N ATOM 0 H LYS A 5 -23.247 -3.676 3.935 1.00 0.00 H new ATOM 0 HA LYS A 5 -22.070 -5.296 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -23.790 -4.563 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -24.452 -3.924 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -22.606 -1.975 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -23.513 -2.504 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -25.598 -2.243 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -24.513 -1.193 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -24.193 0.246 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -25.015 -0.884 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -26.203 1.207 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -27.035 -0.210 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -26.551 0.036 1.583 1.00 0.00 H new ATOM 72 N GLN A 6 -21.031 -2.394 2.800 1.00 0.00 N ATOM 73 CA GLN A 6 -19.889 -1.507 2.762 1.00 0.00 C ATOM 74 C GLN A 6 -18.644 -2.306 3.092 1.00 0.00 C ATOM 75 O GLN A 6 -17.610 -2.141 2.460 1.00 0.00 O ATOM 76 CB GLN A 6 -20.058 -0.351 3.750 1.00 0.00 C ATOM 77 CG GLN A 6 -21.134 0.643 3.350 1.00 0.00 C ATOM 78 CD GLN A 6 -20.901 2.015 3.948 1.00 0.00 C ATOM 79 OE1 GLN A 6 -20.106 2.805 3.436 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.601 2.313 5.032 1.00 0.00 N ATOM 0 H GLN A 6 -21.690 -2.205 3.555 1.00 0.00 H new ATOM 0 HA GLN A 6 -19.801 -1.076 1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.298 -0.757 4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.108 0.175 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -21.165 0.723 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -22.107 0.270 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.249 1.630 5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.492 3.226 5.474 1.00 0.00 H new ATOM 89 N LEU A 7 -18.774 -3.214 4.058 1.00 0.00 N ATOM 90 CA LEU A 7 -17.646 -4.052 4.468 1.00 0.00 C ATOM 91 C LEU A 7 -17.330 -5.079 3.393 1.00 0.00 C ATOM 92 O LEU A 7 -16.167 -5.353 3.101 1.00 0.00 O ATOM 93 CB LEU A 7 -17.939 -4.771 5.790 1.00 0.00 C ATOM 94 CG LEU A 7 -18.650 -3.928 6.847 1.00 0.00 C ATOM 95 CD1 LEU A 7 -19.297 -4.822 7.890 1.00 0.00 C ATOM 96 CD2 LEU A 7 -17.681 -2.958 7.503 1.00 0.00 C ATOM 0 H LEU A 7 -19.640 -3.388 4.568 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.785 -3.399 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.548 -5.650 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.997 -5.128 6.207 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.431 -3.348 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.799 -4.206 8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.025 -5.475 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.532 -5.428 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.208 -2.368 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.876 -3.516 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.263 -2.294 6.746 1.00 0.00 H new ATOM 108 N GLU A 8 -18.380 -5.628 2.800 1.00 0.00 N ATOM 109 CA GLU A 8 -18.233 -6.635 1.755 1.00 0.00 C ATOM 110 C GLU A 8 -17.581 -6.026 0.517 1.00 0.00 C ATOM 111 O GLU A 8 -16.739 -6.650 -0.133 1.00 0.00 O ATOM 112 CB GLU A 8 -19.602 -7.258 1.418 1.00 0.00 C ATOM 113 CG GLU A 8 -20.065 -7.046 -0.019 1.00 0.00 C ATOM 114 CD GLU A 8 -21.306 -7.845 -0.357 1.00 0.00 C ATOM 115 OE1 GLU A 8 -21.224 -9.093 -0.410 1.00 0.00 O ATOM 116 OE2 GLU A 8 -22.374 -7.232 -0.580 1.00 0.00 O ATOM 0 H GLU A 8 -19.347 -5.393 3.024 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.582 -7.430 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.557 -8.329 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -20.351 -6.841 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -20.265 -5.987 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.261 -7.325 -0.700 1.00 0.00 H new ATOM 123 N ALA A 9 -17.946 -4.787 0.215 1.00 0.00 N ATOM 124 CA ALA A 9 -17.434 -4.118 -0.967 1.00 0.00 C ATOM 125 C ALA A 9 -15.983 -3.724 -0.773 1.00 0.00 C ATOM 126 O ALA A 9 -15.158 -3.896 -1.670 1.00 0.00 O ATOM 127 CB ALA A 9 -18.280 -2.900 -1.304 1.00 0.00 C ATOM 0 H ALA A 9 -18.593 -4.229 0.772 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.490 -4.814 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.879 -2.413 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.307 -3.212 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.261 -2.201 -0.468 1.00 0.00 H new ATOM 133 N ILE A 10 -15.662 -3.233 0.415 1.00 0.00 N ATOM 134 CA ILE A 10 -14.320 -2.748 0.684 1.00 0.00 C ATOM 135 C ILE A 10 -13.351 -3.901 0.916 1.00 0.00 C ATOM 136 O ILE A 10 -12.134 -3.724 0.851 1.00 0.00 O ATOM 137 CB ILE A 10 -14.270 -1.787 1.886 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.693 -2.501 3.168 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.134 -0.562 1.634 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.537 -2.789 4.095 1.00 0.00 C ATOM 0 H ILE A 10 -16.308 -3.161 1.201 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.016 -2.194 -0.204 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.240 -1.452 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.427 -1.889 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.185 -3.438 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.083 0.103 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.772 -0.037 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.167 -0.872 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.904 -3.297 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.813 -3.426 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.059 -1.853 4.382 1.00 0.00 H new ATOM 152 N ASP A 11 -13.882 -5.084 1.179 1.00 0.00 N ATOM 153 CA ASP A 11 -13.037 -6.251 1.362 1.00 0.00 C ATOM 154 C ASP A 11 -12.618 -6.807 0.016 1.00 0.00 C ATOM 155 O ASP A 11 -11.580 -7.452 -0.104 1.00 0.00 O ATOM 156 CB ASP A 11 -13.729 -7.333 2.187 1.00 0.00 C ATOM 157 CG ASP A 11 -12.735 -8.339 2.732 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.702 -7.914 3.295 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.976 -9.557 2.595 1.00 0.00 O ATOM 0 H ASP A 11 -14.883 -5.260 1.270 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.153 -5.934 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.270 -6.871 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.466 -7.846 1.570 1.00 0.00 H new ATOM 164 N GLN A 12 -13.418 -6.535 -1.005 1.00 0.00 N ATOM 165 CA GLN A 12 -13.080 -6.940 -2.355 1.00 0.00 C ATOM 166 C GLN A 12 -12.114 -5.955 -3.005 1.00 0.00 C ATOM 167 O GLN A 12 -11.517 -6.250 -4.039 1.00 0.00 O ATOM 168 CB GLN A 12 -14.347 -7.100 -3.181 1.00 0.00 C ATOM 169 CG GLN A 12 -15.058 -8.405 -2.883 1.00 0.00 C ATOM 170 CD GLN A 12 -14.170 -9.615 -3.124 1.00 0.00 C ATOM 171 OE1 GLN A 12 -13.919 -9.997 -4.269 1.00 0.00 O ATOM 172 NE2 GLN A 12 -13.671 -10.213 -2.052 1.00 0.00 N ATOM 0 H GLN A 12 -14.304 -6.036 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.572 -7.903 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.019 -6.266 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.097 -7.057 -4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.394 -8.404 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.949 -8.481 -3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.902 -9.867 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.056 -11.019 -2.158 1.00 0.00 H new ATOM 181 N LEU A 13 -11.958 -4.784 -2.404 1.00 0.00 N ATOM 182 CA LEU A 13 -10.886 -3.880 -2.802 1.00 0.00 C ATOM 183 C LEU A 13 -9.755 -3.959 -1.780 1.00 0.00 C ATOM 184 O LEU A 13 -8.713 -3.325 -1.929 1.00 0.00 O ATOM 185 CB LEU A 13 -11.384 -2.436 -2.972 1.00 0.00 C ATOM 186 CG LEU A 13 -12.176 -1.853 -1.802 1.00 0.00 C ATOM 187 CD1 LEU A 13 -11.303 -0.921 -0.975 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.403 -1.113 -2.314 1.00 0.00 C ATOM 0 H LEU A 13 -12.551 -4.440 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.513 -4.194 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.521 -1.795 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.008 -2.392 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.503 -2.674 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.885 -0.516 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.450 -1.474 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.947 -0.104 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.959 -0.703 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.091 -0.302 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.040 -1.804 -2.867 1.00 0.00 H new ATOM 200 N HIS A 14 -9.971 -4.758 -0.738 1.00 0.00 N ATOM 201 CA HIS A 14 -8.941 -5.014 0.260 1.00 0.00 C ATOM 202 C HIS A 14 -7.764 -5.747 -0.366 1.00 0.00 C ATOM 203 O HIS A 14 -6.612 -5.510 -0.004 1.00 0.00 O ATOM 204 CB HIS A 14 -9.493 -5.848 1.416 1.00 0.00 C ATOM 205 CG HIS A 14 -9.785 -5.063 2.655 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.554 -5.560 3.681 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.411 -3.818 3.034 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.646 -4.659 4.639 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.960 -3.591 4.276 1.00 0.00 N ATOM 0 H HIS A 14 -10.853 -5.240 -0.564 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.608 -4.050 0.645 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.408 -6.342 1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.776 -6.633 1.657 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.987 -6.484 3.698 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.798 -3.132 2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.191 -4.775 5.564 1.00 0.00 H new ATOM 218 N LEU A 15 -8.049 -6.645 -1.309 1.00 0.00 N ATOM 219 CA LEU A 15 -6.988 -7.402 -1.953 1.00 0.00 C ATOM 220 C LEU A 15 -6.323 -6.569 -3.029 1.00 0.00 C ATOM 221 O LEU A 15 -5.232 -6.878 -3.480 1.00 0.00 O ATOM 222 CB LEU A 15 -7.442 -8.761 -2.527 1.00 0.00 C ATOM 223 CG LEU A 15 -8.785 -8.873 -3.274 1.00 0.00 C ATOM 224 CD1 LEU A 15 -9.962 -8.655 -2.352 1.00 0.00 C ATOM 225 CD2 LEU A 15 -8.845 -7.939 -4.472 1.00 0.00 C ATOM 0 H LEU A 15 -8.991 -6.860 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.269 -7.636 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.663 -9.101 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.472 -9.469 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.850 -9.894 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.889 -8.742 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.948 -9.405 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.899 -7.660 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.808 -8.049 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.725 -6.909 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.045 -8.189 -5.169 1.00 0.00 H new ATOM 237 N GLU A 16 -7.007 -5.522 -3.436 1.00 0.00 N ATOM 238 CA GLU A 16 -6.433 -4.532 -4.338 1.00 0.00 C ATOM 239 C GLU A 16 -5.291 -3.812 -3.637 1.00 0.00 C ATOM 240 O GLU A 16 -4.230 -3.589 -4.222 1.00 0.00 O ATOM 241 CB GLU A 16 -7.500 -3.529 -4.781 1.00 0.00 C ATOM 242 CG GLU A 16 -7.407 -3.148 -6.247 1.00 0.00 C ATOM 243 CD GLU A 16 -8.653 -3.518 -7.020 1.00 0.00 C ATOM 244 OE1 GLU A 16 -8.912 -4.726 -7.199 1.00 0.00 O ATOM 245 OE2 GLU A 16 -9.371 -2.601 -7.468 1.00 0.00 O ATOM 0 H GLU A 16 -7.969 -5.328 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.051 -5.037 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.486 -3.951 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.413 -2.628 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.237 -2.075 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.545 -3.643 -6.694 1.00 0.00 H new ATOM 252 N TYR A 17 -5.519 -3.466 -2.377 1.00 0.00 N ATOM 253 CA TYR A 17 -4.465 -2.939 -1.528 1.00 0.00 C ATOM 254 C TYR A 17 -3.338 -3.962 -1.461 1.00 0.00 C ATOM 255 O TYR A 17 -2.178 -3.642 -1.704 1.00 0.00 O ATOM 256 CB TYR A 17 -5.011 -2.648 -0.121 1.00 0.00 C ATOM 257 CG TYR A 17 -4.093 -1.823 0.765 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.834 -2.283 1.131 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.501 -0.590 1.254 1.00 0.00 C ATOM 260 CE1 TYR A 17 -2.009 -1.541 1.954 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.678 0.162 2.075 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.437 -0.319 2.424 1.00 0.00 C ATOM 263 OH TYR A 17 -1.624 0.426 3.249 1.00 0.00 O ATOM 0 H TYR A 17 -6.428 -3.542 -1.921 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.088 -2.004 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.963 -2.126 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.216 -3.596 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.493 -3.240 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.477 -0.211 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.034 -1.917 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.009 1.123 2.440 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.372 -0.109 4.030 1.00 0.00 H new ATOM 273 N ALA A 18 -3.712 -5.204 -1.179 1.00 0.00 N ATOM 274 CA ALA A 18 -2.760 -6.301 -1.065 1.00 0.00 C ATOM 275 C ALA A 18 -2.003 -6.538 -2.373 1.00 0.00 C ATOM 276 O ALA A 18 -0.857 -6.976 -2.365 1.00 0.00 O ATOM 277 CB ALA A 18 -3.479 -7.577 -0.648 1.00 0.00 C ATOM 0 H ALA A 18 -4.682 -5.478 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.031 -6.024 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.758 -8.391 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.964 -7.423 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.230 -7.832 -1.395 1.00 0.00 H new ATOM 283 N LYS A 19 -2.645 -6.246 -3.495 1.00 0.00 N ATOM 284 CA LYS A 19 -2.055 -6.500 -4.804 1.00 0.00 C ATOM 285 C LYS A 19 -0.985 -5.474 -5.130 1.00 0.00 C ATOM 286 O LYS A 19 -0.044 -5.761 -5.870 1.00 0.00 O ATOM 287 CB LYS A 19 -3.131 -6.485 -5.887 1.00 0.00 C ATOM 288 CG LYS A 19 -3.210 -7.776 -6.685 1.00 0.00 C ATOM 289 CD LYS A 19 -3.780 -8.909 -5.848 1.00 0.00 C ATOM 290 CE LYS A 19 -5.011 -9.509 -6.495 1.00 0.00 C ATOM 291 NZ LYS A 19 -4.828 -10.948 -6.797 1.00 0.00 N ATOM 0 H LYS A 19 -3.577 -5.832 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.591 -7.486 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.099 -6.295 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.936 -5.657 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.833 -7.623 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.216 -8.048 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.023 -9.682 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.033 -8.538 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.868 -9.383 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.237 -8.970 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.692 -11.323 -7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.026 -11.067 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.637 -11.466 -5.916 1.00 0.00 H new ATOM 305 N ARG A 20 -1.135 -4.277 -4.589 1.00 0.00 N ATOM 306 CA ARG A 20 -0.165 -3.218 -4.826 1.00 0.00 C ATOM 307 C ARG A 20 0.854 -3.151 -3.703 1.00 0.00 C ATOM 308 O ARG A 20 2.037 -2.908 -3.938 1.00 0.00 O ATOM 309 CB ARG A 20 -0.868 -1.869 -4.985 1.00 0.00 C ATOM 310 CG ARG A 20 -1.992 -1.882 -6.006 1.00 0.00 C ATOM 311 CD ARG A 20 -1.475 -1.601 -7.404 1.00 0.00 C ATOM 312 NE ARG A 20 -1.220 -0.180 -7.626 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.156 0.702 -7.980 1.00 0.00 C ATOM 314 NH1 ARG A 20 -3.413 0.318 -8.162 1.00 0.00 N ATOM 315 NH2 ARG A 20 -1.828 1.969 -8.174 1.00 0.00 N ATOM 0 H ARG A 20 -1.914 -4.014 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 20 0.362 -3.448 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.270 -1.563 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.133 -1.119 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.490 -2.852 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.739 -1.136 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.556 -2.163 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.201 -1.956 -8.136 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.266 0.159 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.672 -0.660 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.121 1.001 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.861 2.270 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.542 2.645 -8.445 1.00 0.00 H new ATOM 329 N ALA A 21 0.397 -3.381 -2.484 1.00 0.00 N ATOM 330 CA ALA A 21 1.272 -3.342 -1.325 1.00 0.00 C ATOM 331 C ALA A 21 2.240 -4.519 -1.324 1.00 0.00 C ATOM 332 O ALA A 21 3.274 -4.473 -0.666 1.00 0.00 O ATOM 333 CB ALA A 21 0.457 -3.339 -0.044 1.00 0.00 C ATOM 0 H ALA A 21 -0.577 -3.597 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 21 1.854 -2.422 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.128 -3.310 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.192 -2.463 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.152 -4.242 0.002 1.00 0.00 H new ATOM 339 N ALA A 22 1.916 -5.564 -2.085 1.00 0.00 N ATOM 340 CA ALA A 22 2.731 -6.774 -2.087 1.00 0.00 C ATOM 341 C ALA A 22 4.092 -6.530 -2.747 1.00 0.00 C ATOM 342 O ALA A 22 5.126 -6.691 -2.096 1.00 0.00 O ATOM 343 CB ALA A 22 2.002 -7.940 -2.743 1.00 0.00 C ATOM 0 H ALA A 22 1.104 -5.596 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 22 2.911 -7.044 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.640 -8.824 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.081 -8.147 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.763 -7.685 -3.775 1.00 0.00 H new ATOM 349 N PRO A 23 4.139 -6.117 -4.034 1.00 0.00 N ATOM 350 CA PRO A 23 5.411 -5.834 -4.692 1.00 0.00 C ATOM 351 C PRO A 23 6.062 -4.582 -4.120 1.00 0.00 C ATOM 352 O PRO A 23 7.280 -4.428 -4.158 1.00 0.00 O ATOM 353 CB PRO A 23 5.032 -5.628 -6.161 1.00 0.00 C ATOM 354 CG PRO A 23 3.604 -5.210 -6.131 1.00 0.00 C ATOM 355 CD PRO A 23 2.992 -5.900 -4.943 1.00 0.00 C ATOM 0 HA PRO A 23 6.137 -6.635 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.657 -4.867 -6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.164 -6.545 -6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.517 -4.127 -6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.095 -5.495 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.222 -5.286 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.521 -6.842 -5.225 1.00 0.00 H new ATOM 363 N PHE A 24 5.241 -3.698 -3.567 1.00 0.00 N ATOM 364 CA PHE A 24 5.739 -2.484 -2.950 1.00 0.00 C ATOM 365 C PHE A 24 6.496 -2.812 -1.674 1.00 0.00 C ATOM 366 O PHE A 24 7.555 -2.246 -1.407 1.00 0.00 O ATOM 367 CB PHE A 24 4.584 -1.522 -2.660 1.00 0.00 C ATOM 368 CG PHE A 24 5.021 -0.127 -2.326 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.206 0.385 -2.830 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.241 0.675 -1.511 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.608 1.668 -2.522 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.639 1.959 -1.197 1.00 0.00 C ATOM 373 CZ PHE A 24 5.822 2.456 -1.707 1.00 0.00 C ATOM 0 H PHE A 24 4.227 -3.803 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 24 6.426 -1.997 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.927 -1.488 -3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.996 -1.916 -1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.822 -0.228 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.311 0.292 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.536 2.055 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.026 2.573 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.132 3.462 -1.468 1.00 0.00 H new ATOM 383 N ASN A 25 5.964 -3.744 -0.898 1.00 0.00 N ATOM 384 CA ASN A 25 6.622 -4.168 0.328 1.00 0.00 C ATOM 385 C ASN A 25 7.895 -4.920 0.001 1.00 0.00 C ATOM 386 O ASN A 25 8.892 -4.820 0.710 1.00 0.00 O ATOM 387 CB ASN A 25 5.700 -5.041 1.183 1.00 0.00 C ATOM 388 CG ASN A 25 6.125 -5.078 2.638 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.387 -4.041 3.249 1.00 0.00 O ATOM 390 ND2 ASN A 25 6.189 -6.271 3.204 1.00 0.00 N ATOM 0 H ASN A 25 5.083 -4.219 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 25 6.868 -3.276 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.680 -4.663 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.691 -6.055 0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.464 -6.357 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.964 -7.105 2.662 1.00 0.00 H new ATOM 397 N ASN A 26 7.864 -5.631 -1.110 1.00 0.00 N ATOM 398 CA ASN A 26 9.011 -6.417 -1.541 1.00 0.00 C ATOM 399 C ASN A 26 10.114 -5.484 -2.010 1.00 0.00 C ATOM 400 O ASN A 26 11.302 -5.724 -1.790 1.00 0.00 O ATOM 401 CB ASN A 26 8.614 -7.378 -2.665 1.00 0.00 C ATOM 402 CG ASN A 26 8.651 -8.830 -2.226 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.463 -9.220 -1.382 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.779 -9.643 -2.799 1.00 0.00 N ATOM 0 H ASN A 26 7.058 -5.682 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 26 9.372 -7.010 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.610 -7.132 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.287 -7.240 -3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.762 -10.631 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.124 -9.282 -3.492 1.00 0.00 H new ATOM 411 N TRP A 27 9.693 -4.401 -2.641 1.00 0.00 N ATOM 412 CA TRP A 27 10.596 -3.368 -3.106 1.00 0.00 C ATOM 413 C TRP A 27 11.190 -2.621 -1.920 1.00 0.00 C ATOM 414 O TRP A 27 12.404 -2.448 -1.829 1.00 0.00 O ATOM 415 CB TRP A 27 9.833 -2.403 -4.017 1.00 0.00 C ATOM 416 CG TRP A 27 10.668 -1.298 -4.581 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.416 -1.333 -5.719 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.840 0.007 -4.029 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.035 -0.122 -5.913 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.699 0.716 -4.885 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.346 0.640 -2.891 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.076 2.034 -4.636 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.720 1.945 -2.644 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.576 2.631 -3.513 1.00 0.00 C ATOM 0 H TRP A 27 8.711 -4.215 -2.845 1.00 0.00 H new ATOM 0 HA TRP A 27 11.411 -3.823 -3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.395 -2.968 -4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.007 -1.968 -3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.509 -2.188 -6.373 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.645 0.114 -6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.683 0.120 -2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.738 2.564 -5.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.345 2.446 -1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.847 3.653 -3.292 1.00 0.00 H new ATOM 435 N MET A 28 10.324 -2.200 -1.003 1.00 0.00 N ATOM 436 CA MET A 28 10.738 -1.414 0.157 1.00 0.00 C ATOM 437 C MET A 28 11.741 -2.178 1.017 1.00 0.00 C ATOM 438 O MET A 28 12.740 -1.611 1.461 1.00 0.00 O ATOM 439 CB MET A 28 9.524 -1.020 1.001 1.00 0.00 C ATOM 440 CG MET A 28 8.907 0.309 0.587 1.00 0.00 C ATOM 441 SD MET A 28 7.449 0.736 1.559 1.00 0.00 S ATOM 442 CE MET A 28 6.527 -0.796 1.489 1.00 0.00 C ATOM 0 H MET A 28 9.323 -2.392 -1.041 1.00 0.00 H new ATOM 0 HA MET A 28 11.223 -0.511 -0.214 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.769 -1.802 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.821 -0.964 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.652 1.098 0.692 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.635 0.265 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.532 -0.641 1.906 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.439 -1.121 0.452 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.048 -1.561 2.066 1.00 0.00 H new ATOM 452 N GLU A 29 11.483 -3.463 1.236 1.00 0.00 N ATOM 453 CA GLU A 29 12.368 -4.295 2.044 1.00 0.00 C ATOM 454 C GLU A 29 13.721 -4.452 1.366 1.00 0.00 C ATOM 455 O GLU A 29 14.763 -4.361 2.016 1.00 0.00 O ATOM 456 CB GLU A 29 11.745 -5.670 2.289 1.00 0.00 C ATOM 457 CG GLU A 29 10.508 -5.633 3.170 1.00 0.00 C ATOM 458 CD GLU A 29 10.814 -5.208 4.590 1.00 0.00 C ATOM 459 OE1 GLU A 29 11.204 -6.073 5.402 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.645 -4.015 4.906 1.00 0.00 O ATOM 0 H GLU A 29 10.668 -3.951 0.865 1.00 0.00 H new ATOM 0 HA GLU A 29 12.511 -3.800 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.483 -6.116 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.489 -6.319 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.780 -4.946 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.046 -6.620 3.182 1.00 0.00 H new ATOM 467 N SER A 30 13.704 -4.667 0.057 1.00 0.00 N ATOM 468 CA SER A 30 14.938 -4.811 -0.702 1.00 0.00 C ATOM 469 C SER A 30 15.706 -3.494 -0.720 1.00 0.00 C ATOM 470 O SER A 30 16.925 -3.473 -0.556 1.00 0.00 O ATOM 471 CB SER A 30 14.636 -5.267 -2.129 1.00 0.00 C ATOM 472 OG SER A 30 13.885 -6.469 -2.125 1.00 0.00 O ATOM 0 H SER A 30 12.852 -4.745 -0.499 1.00 0.00 H new ATOM 0 HA SER A 30 15.555 -5.568 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.083 -4.489 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.569 -5.417 -2.673 1.00 0.00 H new ATOM 0 HG SER A 30 12.957 -6.274 -1.878 1.00 0.00 H new ATOM 478 N ALA A 31 14.978 -2.397 -0.889 1.00 0.00 N ATOM 479 CA ALA A 31 15.586 -1.075 -0.925 1.00 0.00 C ATOM 480 C ALA A 31 16.208 -0.726 0.419 1.00 0.00 C ATOM 481 O ALA A 31 17.346 -0.270 0.484 1.00 0.00 O ATOM 482 CB ALA A 31 14.554 -0.030 -1.311 1.00 0.00 C ATOM 0 H ALA A 31 13.964 -2.398 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 31 16.376 -1.086 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.023 0.954 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.151 -0.263 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.746 -0.030 -0.580 1.00 0.00 H new ATOM 488 N MET A 32 15.458 -0.960 1.487 1.00 0.00 N ATOM 489 CA MET A 32 15.936 -0.692 2.838 1.00 0.00 C ATOM 490 C MET A 32 17.186 -1.507 3.141 1.00 0.00 C ATOM 491 O MET A 32 18.095 -1.041 3.826 1.00 0.00 O ATOM 492 CB MET A 32 14.844 -1.021 3.852 1.00 0.00 C ATOM 493 CG MET A 32 14.921 -0.197 5.122 1.00 0.00 C ATOM 494 SD MET A 32 13.634 -0.625 6.309 1.00 0.00 S ATOM 495 CE MET A 32 12.180 -0.574 5.263 1.00 0.00 C ATOM 0 H MET A 32 14.511 -1.337 1.444 1.00 0.00 H new ATOM 0 HA MET A 32 16.188 0.366 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.870 -0.865 3.387 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.908 -2.078 4.111 1.00 0.00 H new ATOM 0 HG2 MET A 32 15.898 -0.340 5.584 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.840 0.860 4.870 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.310 -0.303 5.862 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.324 0.167 4.476 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.020 -1.554 4.814 1.00 0.00 H new ATOM 505 N GLU A 33 17.223 -2.715 2.606 1.00 0.00 N ATOM 506 CA GLU A 33 18.338 -3.624 2.825 1.00 0.00 C ATOM 507 C GLU A 33 19.554 -3.188 2.015 1.00 0.00 C ATOM 508 O GLU A 33 20.660 -3.077 2.551 1.00 0.00 O ATOM 509 CB GLU A 33 17.916 -5.055 2.454 1.00 0.00 C ATOM 510 CG GLU A 33 19.049 -5.942 1.953 1.00 0.00 C ATOM 511 CD GLU A 33 19.853 -6.563 3.075 1.00 0.00 C ATOM 512 OE1 GLU A 33 19.363 -6.591 4.223 1.00 0.00 O ATOM 513 OE2 GLU A 33 20.982 -7.028 2.811 1.00 0.00 O ATOM 0 H GLU A 33 16.486 -3.093 2.011 1.00 0.00 H new ATOM 0 HA GLU A 33 18.616 -3.601 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.464 -5.524 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.145 -5.004 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.635 -6.734 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.713 -5.352 1.321 1.00 0.00 H new ATOM 520 N ASP A 34 19.336 -2.914 0.733 1.00 0.00 N ATOM 521 CA ASP A 34 20.431 -2.583 -0.179 1.00 0.00 C ATOM 522 C ASP A 34 20.995 -1.201 0.123 1.00 0.00 C ATOM 523 O ASP A 34 22.185 -0.948 -0.063 1.00 0.00 O ATOM 524 CB ASP A 34 19.958 -2.645 -1.635 1.00 0.00 C ATOM 525 CG ASP A 34 21.005 -3.235 -2.568 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.204 -2.925 -2.406 1.00 0.00 O ATOM 527 OD2 ASP A 34 20.633 -4.012 -3.475 1.00 0.00 O ATOM 0 H ASP A 34 18.413 -2.914 0.300 1.00 0.00 H new ATOM 0 HA ASP A 34 21.221 -3.320 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.048 -3.243 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.701 -1.641 -1.972 1.00 0.00 H new ATOM 532 N LEU A 35 20.141 -0.302 0.592 1.00 0.00 N ATOM 533 CA LEU A 35 20.568 1.059 0.886 1.00 0.00 C ATOM 534 C LEU A 35 21.338 1.117 2.200 1.00 0.00 C ATOM 535 O LEU A 35 22.204 1.972 2.383 1.00 0.00 O ATOM 536 CB LEU A 35 19.362 1.997 0.941 1.00 0.00 C ATOM 537 CG LEU A 35 19.174 2.894 -0.285 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.116 2.063 -1.560 1.00 0.00 C ATOM 539 CD2 LEU A 35 17.912 3.731 -0.140 1.00 0.00 C ATOM 0 H LEU A 35 19.155 -0.488 0.776 1.00 0.00 H new ATOM 0 HA LEU A 35 21.232 1.384 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.462 1.397 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.455 2.630 1.823 1.00 0.00 H new ATOM 0 HG LEU A 35 20.032 3.563 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.982 2.722 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.045 1.505 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.279 1.367 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.792 4.364 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.048 3.073 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.991 4.357 0.749 1.00 0.00 H new ATOM 551 N GLN A 36 21.019 0.200 3.104 1.00 0.00 N ATOM 552 CA GLN A 36 21.664 0.147 4.409 1.00 0.00 C ATOM 553 C GLN A 36 23.038 -0.501 4.314 1.00 0.00 C ATOM 554 O GLN A 36 23.990 -0.067 4.967 1.00 0.00 O ATOM 555 CB GLN A 36 20.808 -0.640 5.395 1.00 0.00 C ATOM 556 CG GLN A 36 20.692 0.036 6.749 1.00 0.00 C ATOM 557 CD GLN A 36 19.366 -0.229 7.437 1.00 0.00 C ATOM 558 OE1 GLN A 36 19.295 -0.295 8.662 1.00 0.00 O ATOM 559 NE2 GLN A 36 18.305 -0.379 6.657 1.00 0.00 N ATOM 0 H GLN A 36 20.313 -0.521 2.956 1.00 0.00 H new ATOM 0 HA GLN A 36 21.779 1.172 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.811 -0.775 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.236 -1.634 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.503 -0.309 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.821 1.111 6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.404 -0.317 5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.389 -0.556 7.070 1.00 0.00 H new ATOM 568 N ASP A 37 23.133 -1.538 3.496 1.00 0.00 N ATOM 569 CA ASP A 37 24.351 -2.330 3.415 1.00 0.00 C ATOM 570 C ASP A 37 25.419 -1.634 2.585 1.00 0.00 C ATOM 571 O ASP A 37 25.119 -0.817 1.712 1.00 0.00 O ATOM 572 CB ASP A 37 24.058 -3.708 2.825 1.00 0.00 C ATOM 573 CG ASP A 37 25.098 -4.739 3.219 1.00 0.00 C ATOM 574 OD1 ASP A 37 25.852 -4.499 4.192 1.00 0.00 O ATOM 575 OD2 ASP A 37 25.163 -5.800 2.568 1.00 0.00 O ATOM 0 H ASP A 37 22.383 -1.851 2.880 1.00 0.00 H new ATOM 0 HA ASP A 37 24.730 -2.445 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.075 -4.041 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.018 -3.634 1.738 1.00 0.00 H new ATOM 580 N MET A 38 26.669 -1.967 2.869 1.00 0.00 N ATOM 581 CA MET A 38 27.797 -1.423 2.137 1.00 0.00 C ATOM 582 C MET A 38 27.971 -2.147 0.812 1.00 0.00 C ATOM 583 O MET A 38 27.356 -3.187 0.570 1.00 0.00 O ATOM 584 CB MET A 38 29.074 -1.542 2.971 1.00 0.00 C ATOM 585 CG MET A 38 29.928 -0.285 2.968 1.00 0.00 C ATOM 586 SD MET A 38 31.482 -0.504 3.862 1.00 0.00 S ATOM 587 CE MET A 38 32.581 -0.946 2.518 1.00 0.00 C ATOM 0 H MET A 38 26.927 -2.619 3.610 1.00 0.00 H new ATOM 0 HA MET A 38 27.602 -0.370 1.935 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.804 -1.784 3.999 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.668 -2.374 2.593 1.00 0.00 H new ATOM 0 HG2 MET A 38 30.142 0.003 1.939 1.00 0.00 H new ATOM 0 HG3 MET A 38 29.366 0.534 3.418 1.00 0.00 H new ATOM 0 HE1 MET A 38 33.584 -1.114 2.909 1.00 0.00 H new ATOM 0 HE2 MET A 38 32.221 -1.856 2.038 1.00 0.00 H new ATOM 0 HE3 MET A 38 32.607 -0.137 1.788 1.00 0.00 H new ATOM 597 N PHE A 39 28.809 -1.592 -0.042 1.00 0.00 N ATOM 598 CA PHE A 39 29.040 -2.158 -1.353 1.00 0.00 C ATOM 599 C PHE A 39 30.525 -2.413 -1.559 1.00 0.00 C ATOM 600 O PHE A 39 31.351 -1.510 -1.397 1.00 0.00 O ATOM 601 CB PHE A 39 28.495 -1.226 -2.444 1.00 0.00 C ATOM 602 CG PHE A 39 28.926 0.212 -2.299 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.271 1.062 -1.420 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.989 0.708 -3.033 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.666 2.378 -1.284 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.388 2.023 -2.900 1.00 0.00 C ATOM 607 CZ PHE A 39 29.729 2.856 -2.021 1.00 0.00 C ATOM 0 H PHE A 39 29.343 -0.745 0.152 1.00 0.00 H new ATOM 0 HA PHE A 39 28.512 -3.109 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.820 -1.595 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.406 -1.270 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.443 0.690 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.513 0.058 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.143 3.032 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.215 2.399 -3.484 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.045 3.883 -1.910 1.00 0.00 H new ATOM 617 N ILE A 40 30.863 -3.646 -1.877 1.00 0.00 N ATOM 618 CA ILE A 40 32.234 -3.990 -2.202 1.00 0.00 C ATOM 619 C ILE A 40 32.487 -3.746 -3.683 1.00 0.00 C ATOM 620 O ILE A 40 31.706 -4.162 -4.540 1.00 0.00 O ATOM 621 CB ILE A 40 32.567 -5.456 -1.817 1.00 0.00 C ATOM 622 CG1 ILE A 40 33.163 -5.523 -0.404 1.00 0.00 C ATOM 623 CG2 ILE A 40 33.530 -6.100 -2.811 1.00 0.00 C ATOM 624 CD1 ILE A 40 33.529 -4.179 0.190 1.00 0.00 C ATOM 0 H ILE A 40 30.208 -4.427 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 40 32.894 -3.350 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 40 31.631 -6.014 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 40 32.447 -6.014 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 40 34.055 -6.149 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 40 33.737 -7.125 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 40 33.081 -6.102 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 40 34.461 -5.534 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 40 33.942 -4.323 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 40 34.271 -3.691 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 40 32.638 -3.554 0.252 1.00 0.00 H new ATOM 636 N VAL A 41 33.571 -3.047 -3.971 1.00 0.00 N ATOM 637 CA VAL A 41 33.902 -2.685 -5.338 1.00 0.00 C ATOM 638 C VAL A 41 35.316 -3.129 -5.676 1.00 0.00 C ATOM 639 O VAL A 41 36.180 -3.203 -4.799 1.00 0.00 O ATOM 640 CB VAL A 41 33.765 -1.162 -5.581 1.00 0.00 C ATOM 641 CG1 VAL A 41 32.317 -0.722 -5.459 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.643 -0.371 -4.620 1.00 0.00 C ATOM 0 H VAL A 41 34.239 -2.718 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 41 33.192 -3.197 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 41 34.103 -0.958 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 41 32.247 0.352 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.713 -1.250 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.950 -0.951 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.526 0.695 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.346 -0.588 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.686 -0.654 -4.763 1.00 0.00 H new ATOM 652 N HIS A 42 35.543 -3.453 -6.936 1.00 0.00 N ATOM 653 CA HIS A 42 36.873 -3.820 -7.400 1.00 0.00 C ATOM 654 C HIS A 42 37.415 -2.752 -8.334 1.00 0.00 C ATOM 655 O HIS A 42 38.557 -2.313 -8.206 1.00 0.00 O ATOM 656 CB HIS A 42 36.847 -5.162 -8.132 1.00 0.00 C ATOM 657 CG HIS A 42 37.020 -6.348 -7.233 1.00 0.00 C ATOM 658 ND1 HIS A 42 35.968 -6.984 -6.614 1.00 0.00 N ATOM 659 CD2 HIS A 42 38.132 -7.023 -6.855 1.00 0.00 C ATOM 660 CE1 HIS A 42 36.424 -7.991 -5.897 1.00 0.00 C ATOM 661 NE2 HIS A 42 37.736 -8.042 -6.025 1.00 0.00 N ATOM 0 H HIS A 42 34.824 -3.470 -7.659 1.00 0.00 H new ATOM 0 HA HIS A 42 37.520 -3.907 -6.527 1.00 0.00 H new ATOM 0 HB2 HIS A 42 35.900 -5.256 -8.663 1.00 0.00 H new ATOM 0 HB3 HIS A 42 37.636 -5.170 -8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 42 39.146 -6.800 -7.153 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.823 -8.663 -5.303 1.00 0.00 H new ATOM 0 HE2 HIS A 42 38.352 -8.724 -5.582 1.00 0.00 H new ATOM 670 N THR A 43 36.579 -2.341 -9.271 1.00 0.00 N ATOM 671 CA THR A 43 36.983 -1.409 -10.305 1.00 0.00 C ATOM 672 C THR A 43 35.934 -0.316 -10.485 1.00 0.00 C ATOM 673 O THR A 43 34.829 -0.412 -9.939 1.00 0.00 O ATOM 674 CB THR A 43 37.167 -2.162 -11.633 1.00 0.00 C ATOM 675 OG1 THR A 43 36.199 -3.220 -11.714 1.00 0.00 O ATOM 676 CG2 THR A 43 38.567 -2.749 -11.734 1.00 0.00 C ATOM 0 H THR A 43 35.607 -2.643 -9.335 1.00 0.00 H new ATOM 0 HA THR A 43 37.924 -0.946 -10.007 1.00 0.00 H new ATOM 0 HB THR A 43 37.027 -1.460 -12.455 1.00 0.00 H new ATOM 0 HG1 THR A 43 36.571 -3.964 -12.232 1.00 0.00 H new ATOM 0 HG21 THR A 43 38.673 -3.277 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.303 -1.946 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.730 -3.445 -10.911 1.00 0.00 H new ATOM 684 N ILE A 44 36.275 0.710 -11.261 1.00 0.00 N ATOM 685 CA ILE A 44 35.357 1.805 -11.546 1.00 0.00 C ATOM 686 C ILE A 44 34.095 1.284 -12.238 1.00 0.00 C ATOM 687 O ILE A 44 33.001 1.798 -12.026 1.00 0.00 O ATOM 688 CB ILE A 44 36.027 2.882 -12.430 1.00 0.00 C ATOM 689 CG1 ILE A 44 34.994 3.943 -12.839 1.00 0.00 C ATOM 690 CG2 ILE A 44 36.703 2.242 -13.642 1.00 0.00 C ATOM 691 CD1 ILE A 44 34.971 4.282 -14.316 1.00 0.00 C ATOM 0 H ILE A 44 37.188 0.804 -11.706 1.00 0.00 H new ATOM 0 HA ILE A 44 35.082 2.259 -10.594 1.00 0.00 H new ATOM 0 HB ILE A 44 36.808 3.382 -11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 44 34.003 3.595 -12.547 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.191 4.855 -12.276 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.168 3.017 -14.251 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.465 1.539 -13.305 1.00 0.00 H new ATOM 0 HG23 ILE A 44 35.959 1.712 -14.236 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.210 5.039 -14.504 1.00 0.00 H new ATOM 0 HD12 ILE A 44 35.946 4.665 -14.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 34.740 3.385 -14.892 1.00 0.00 H new ATOM 703 N GLU A 45 34.273 0.249 -13.051 1.00 0.00 N ATOM 704 CA GLU A 45 33.172 -0.414 -13.739 1.00 0.00 C ATOM 705 C GLU A 45 32.050 -0.782 -12.768 1.00 0.00 C ATOM 706 O GLU A 45 30.869 -0.664 -13.095 1.00 0.00 O ATOM 707 CB GLU A 45 33.666 -1.678 -14.455 1.00 0.00 C ATOM 708 CG GLU A 45 35.180 -1.855 -14.456 1.00 0.00 C ATOM 709 CD GLU A 45 35.610 -3.250 -14.864 1.00 0.00 C ATOM 710 OE1 GLU A 45 35.250 -4.216 -14.157 1.00 0.00 O ATOM 711 OE2 GLU A 45 36.328 -3.381 -15.874 1.00 0.00 O ATOM 0 H GLU A 45 35.188 -0.155 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 45 32.778 0.287 -14.475 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.212 -2.549 -13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.315 -1.656 -15.487 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.625 -1.129 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.567 -1.637 -13.460 1.00 0.00 H new ATOM 718 N GLU A 46 32.422 -1.223 -11.571 1.00 0.00 N ATOM 719 CA GLU A 46 31.432 -1.557 -10.552 1.00 0.00 C ATOM 720 C GLU A 46 30.984 -0.312 -9.818 1.00 0.00 C ATOM 721 O GLU A 46 29.832 -0.201 -9.410 1.00 0.00 O ATOM 722 CB GLU A 46 31.995 -2.572 -9.551 1.00 0.00 C ATOM 723 CG GLU A 46 32.984 -3.549 -10.157 1.00 0.00 C ATOM 724 CD GLU A 46 32.439 -4.959 -10.224 1.00 0.00 C ATOM 725 OE1 GLU A 46 31.789 -5.398 -9.249 1.00 0.00 O ATOM 726 OE2 GLU A 46 32.665 -5.635 -11.246 1.00 0.00 O ATOM 0 H GLU A 46 33.392 -1.357 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 46 30.574 -2.003 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.483 -2.034 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.169 -3.132 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 46 33.249 -3.217 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 46 33.901 -3.545 -9.568 1.00 0.00 H new ATOM 733 N ILE A 47 31.897 0.630 -9.674 1.00 0.00 N ATOM 734 CA ILE A 47 31.613 1.870 -8.979 1.00 0.00 C ATOM 735 C ILE A 47 30.517 2.641 -9.706 1.00 0.00 C ATOM 736 O ILE A 47 29.594 3.152 -9.078 1.00 0.00 O ATOM 737 CB ILE A 47 32.901 2.729 -8.817 1.00 0.00 C ATOM 738 CG1 ILE A 47 33.340 2.737 -7.350 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.710 4.159 -9.318 1.00 0.00 C ATOM 740 CD1 ILE A 47 32.265 3.212 -6.393 1.00 0.00 C ATOM 0 H ILE A 47 32.849 0.558 -10.033 1.00 0.00 H new ATOM 0 HA ILE A 47 31.255 1.632 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 47 33.678 2.274 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.647 1.730 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.215 3.378 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.636 4.718 -9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.447 4.142 -10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.911 4.639 -8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 47 32.650 3.190 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.974 4.231 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 47 31.397 2.557 -6.467 1.00 0.00 H new ATOM 752 N GLU A 48 30.593 2.669 -11.032 1.00 0.00 N ATOM 753 CA GLU A 48 29.623 3.404 -11.836 1.00 0.00 C ATOM 754 C GLU A 48 28.296 2.658 -11.866 1.00 0.00 C ATOM 755 O GLU A 48 27.229 3.262 -11.979 1.00 0.00 O ATOM 756 CB GLU A 48 30.147 3.619 -13.259 1.00 0.00 C ATOM 757 CG GLU A 48 30.522 2.335 -13.974 1.00 0.00 C ATOM 758 CD GLU A 48 30.893 2.559 -15.422 1.00 0.00 C ATOM 759 OE1 GLU A 48 30.124 3.230 -16.144 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.952 2.062 -15.851 1.00 0.00 O ATOM 0 H GLU A 48 31.315 2.192 -11.572 1.00 0.00 H new ATOM 0 HA GLU A 48 29.468 4.382 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 48 29.387 4.139 -13.841 1.00 0.00 H new ATOM 0 HB3 GLU A 48 31.020 4.270 -13.220 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.360 1.868 -13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 48 29.686 1.637 -13.921 1.00 0.00 H new ATOM 767 N GLY A 49 28.369 1.339 -11.736 1.00 0.00 N ATOM 768 CA GLY A 49 27.166 0.536 -11.692 1.00 0.00 C ATOM 769 C GLY A 49 26.464 0.712 -10.371 1.00 0.00 C ATOM 770 O GLY A 49 25.235 0.777 -10.300 1.00 0.00 O ATOM 0 H GLY A 49 29.240 0.813 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.500 0.823 -12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.417 -0.514 -11.840 1.00 0.00 H new ATOM 774 N LEU A 50 27.270 0.810 -9.325 1.00 0.00 N ATOM 775 CA LEU A 50 26.787 1.096 -7.987 1.00 0.00 C ATOM 776 C LEU A 50 26.030 2.417 -7.952 1.00 0.00 C ATOM 777 O LEU A 50 24.946 2.507 -7.371 1.00 0.00 O ATOM 778 CB LEU A 50 27.964 1.149 -7.019 1.00 0.00 C ATOM 779 CG LEU A 50 28.018 0.035 -5.975 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.627 -0.529 -5.700 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.970 -1.068 -6.415 1.00 0.00 C ATOM 0 H LEU A 50 28.282 0.693 -9.383 1.00 0.00 H new ATOM 0 HA LEU A 50 26.102 0.302 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.887 1.124 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.940 2.107 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 50 28.395 0.463 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.696 -1.320 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.979 0.265 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.211 -0.936 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.994 -1.852 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.628 -1.488 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.971 -0.656 -6.542 1.00 0.00 H new ATOM 793 N ILE A 51 26.603 3.446 -8.569 1.00 0.00 N ATOM 794 CA ILE A 51 25.941 4.752 -8.636 1.00 0.00 C ATOM 795 C ILE A 51 24.653 4.653 -9.446 1.00 0.00 C ATOM 796 O ILE A 51 23.635 5.236 -9.077 1.00 0.00 O ATOM 797 CB ILE A 51 26.817 5.865 -9.254 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.292 5.686 -8.894 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.327 7.230 -8.798 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.612 5.859 -7.422 1.00 0.00 C ATOM 0 H ILE A 51 27.514 3.406 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 51 25.738 5.028 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 51 26.729 5.795 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.610 4.691 -9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.881 6.403 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 51 26.951 8.007 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.294 7.371 -9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.384 7.293 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.680 5.714 -7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.331 6.863 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.055 5.125 -6.840 1.00 0.00 H new ATOM 812 N SER A 52 24.702 3.900 -10.540 1.00 0.00 N ATOM 813 CA SER A 52 23.534 3.708 -11.396 1.00 0.00 C ATOM 814 C SER A 52 22.371 3.104 -10.608 1.00 0.00 C ATOM 815 O SER A 52 21.214 3.457 -10.829 1.00 0.00 O ATOM 816 CB SER A 52 23.888 2.819 -12.589 1.00 0.00 C ATOM 817 OG SER A 52 24.932 3.392 -13.360 1.00 0.00 O ATOM 0 H SER A 52 25.540 3.411 -10.856 1.00 0.00 H new ATOM 0 HA SER A 52 23.221 4.684 -11.767 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.192 1.834 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.007 2.676 -13.214 1.00 0.00 H new ATOM 0 HG SER A 52 25.737 3.479 -12.808 1.00 0.00 H new ATOM 823 N ALA A 53 22.691 2.225 -9.664 1.00 0.00 N ATOM 824 CA ALA A 53 21.676 1.598 -8.824 1.00 0.00 C ATOM 825 C ALA A 53 20.981 2.631 -7.934 1.00 0.00 C ATOM 826 O ALA A 53 19.894 2.390 -7.415 1.00 0.00 O ATOM 827 CB ALA A 53 22.296 0.494 -7.979 1.00 0.00 C ATOM 0 H ALA A 53 23.646 1.930 -9.461 1.00 0.00 H new ATOM 0 HA ALA A 53 20.922 1.157 -9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.527 0.036 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.733 -0.262 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.073 0.916 -7.342 1.00 0.00 H new ATOM 833 N HIS A 54 21.622 3.781 -7.755 1.00 0.00 N ATOM 834 CA HIS A 54 21.029 4.882 -7.005 1.00 0.00 C ATOM 835 C HIS A 54 20.382 5.872 -7.964 1.00 0.00 C ATOM 836 O HIS A 54 19.400 6.529 -7.627 1.00 0.00 O ATOM 837 CB HIS A 54 22.088 5.584 -6.155 1.00 0.00 C ATOM 838 CG HIS A 54 21.674 5.779 -4.727 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.675 5.045 -4.119 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.142 6.623 -3.782 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.550 5.434 -2.863 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.428 6.393 -2.633 1.00 0.00 N ATOM 0 H HIS A 54 22.554 3.975 -8.120 1.00 0.00 H new ATOM 0 HA HIS A 54 20.265 4.481 -6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.009 5.002 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.312 6.555 -6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.934 7.347 -3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.848 5.035 -2.145 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.555 6.882 -1.747 1.00 0.00 H new ATOM 851 N ASP A 55 20.943 5.953 -9.164 1.00 0.00 N ATOM 852 CA ASP A 55 20.426 6.822 -10.217 1.00 0.00 C ATOM 853 C ASP A 55 19.038 6.366 -10.648 1.00 0.00 C ATOM 854 O ASP A 55 18.092 7.155 -10.681 1.00 0.00 O ATOM 855 CB ASP A 55 21.383 6.814 -11.413 1.00 0.00 C ATOM 856 CG ASP A 55 21.029 7.847 -12.465 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.291 8.799 -12.151 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.512 7.718 -13.613 1.00 0.00 O ATOM 0 H ASP A 55 21.769 5.419 -9.436 1.00 0.00 H new ATOM 0 HA ASP A 55 20.350 7.838 -9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.398 6.997 -11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.378 5.824 -11.868 1.00 0.00 H new ATOM 863 N GLN A 56 18.911 5.077 -10.950 1.00 0.00 N ATOM 864 CA GLN A 56 17.620 4.511 -11.318 1.00 0.00 C ATOM 865 C GLN A 56 16.696 4.498 -10.107 1.00 0.00 C ATOM 866 O GLN A 56 15.476 4.534 -10.245 1.00 0.00 O ATOM 867 CB GLN A 56 17.778 3.092 -11.872 1.00 0.00 C ATOM 868 CG GLN A 56 18.899 2.951 -12.887 1.00 0.00 C ATOM 869 CD GLN A 56 19.593 1.600 -12.821 1.00 0.00 C ATOM 870 OE1 GLN A 56 20.357 1.240 -13.713 1.00 0.00 O ATOM 871 NE2 GLN A 56 19.337 0.842 -11.762 1.00 0.00 N ATOM 0 H GLN A 56 19.682 4.409 -10.947 1.00 0.00 H new ATOM 0 HA GLN A 56 17.184 5.134 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.962 2.407 -11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.840 2.787 -12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.495 3.097 -13.889 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.633 3.739 -12.721 1.00 0.00 H new ATOM 0 HE21 GLN A 56 18.697 1.173 -11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 56 19.780 -0.072 -11.670 1.00 0.00 H new ATOM 880 N PHE A 57 17.296 4.484 -8.922 1.00 0.00 N ATOM 881 CA PHE A 57 16.544 4.489 -7.674 1.00 0.00 C ATOM 882 C PHE A 57 15.872 5.839 -7.469 1.00 0.00 C ATOM 883 O PHE A 57 14.699 5.915 -7.105 1.00 0.00 O ATOM 884 CB PHE A 57 17.473 4.182 -6.499 1.00 0.00 C ATOM 885 CG PHE A 57 16.748 3.787 -5.250 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.214 2.517 -5.118 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.600 4.687 -4.210 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.544 2.154 -3.968 1.00 0.00 C ATOM 889 CE2 PHE A 57 15.930 4.331 -3.059 1.00 0.00 C ATOM 890 CZ PHE A 57 15.402 3.061 -2.937 1.00 0.00 C ATOM 0 H PHE A 57 18.309 4.469 -8.800 1.00 0.00 H new ATOM 0 HA PHE A 57 15.775 3.719 -7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.153 3.379 -6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.085 5.060 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.323 1.804 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.014 5.680 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.131 1.161 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.818 5.043 -2.255 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.878 2.778 -2.036 1.00 0.00 H new ATOM 900 N LYS A 58 16.629 6.898 -7.716 1.00 0.00 N ATOM 901 CA LYS A 58 16.111 8.259 -7.672 1.00 0.00 C ATOM 902 C LYS A 58 15.005 8.444 -8.702 1.00 0.00 C ATOM 903 O LYS A 58 14.182 9.352 -8.595 1.00 0.00 O ATOM 904 CB LYS A 58 17.245 9.254 -7.941 1.00 0.00 C ATOM 905 CG LYS A 58 17.493 10.248 -6.815 1.00 0.00 C ATOM 906 CD LYS A 58 17.089 9.688 -5.460 1.00 0.00 C ATOM 907 CE LYS A 58 15.732 10.220 -5.021 1.00 0.00 C ATOM 908 NZ LYS A 58 15.733 11.698 -4.870 1.00 0.00 N ATOM 0 H LYS A 58 17.619 6.839 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 58 15.696 8.443 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.164 8.697 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.018 9.806 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.549 10.517 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.934 11.163 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.056 8.600 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.842 9.950 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.976 9.931 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.452 9.759 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.025 11.975 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.674 12.015 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.500 12.140 -5.782 1.00 0.00 H new ATOM 922 N SER A 59 14.986 7.563 -9.687 1.00 0.00 N ATOM 923 CA SER A 59 14.009 7.631 -10.759 1.00 0.00 C ATOM 924 C SER A 59 12.779 6.776 -10.441 1.00 0.00 C ATOM 925 O SER A 59 11.677 7.073 -10.897 1.00 0.00 O ATOM 926 CB SER A 59 14.643 7.183 -12.077 1.00 0.00 C ATOM 927 OG SER A 59 15.859 7.877 -12.325 1.00 0.00 O ATOM 0 H SER A 59 15.642 6.786 -9.766 1.00 0.00 H new ATOM 0 HA SER A 59 13.682 8.666 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.833 6.110 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.947 7.359 -12.897 1.00 0.00 H new ATOM 0 HG SER A 59 16.555 7.544 -11.721 1.00 0.00 H new ATOM 933 N THR A 60 12.961 5.722 -9.656 1.00 0.00 N ATOM 934 CA THR A 60 11.850 4.848 -9.300 1.00 0.00 C ATOM 935 C THR A 60 11.110 5.380 -8.082 1.00 0.00 C ATOM 936 O THR A 60 9.948 5.044 -7.854 1.00 0.00 O ATOM 937 CB THR A 60 12.321 3.411 -9.019 1.00 0.00 C ATOM 938 OG1 THR A 60 13.707 3.411 -8.665 1.00 0.00 O ATOM 939 CG2 THR A 60 12.101 2.524 -10.233 1.00 0.00 C ATOM 0 H THR A 60 13.860 5.453 -9.256 1.00 0.00 H new ATOM 0 HA THR A 60 11.176 4.831 -10.156 1.00 0.00 H new ATOM 0 HB THR A 60 11.736 3.015 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.249 3.581 -9.464 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.441 1.513 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.040 2.503 -10.481 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.664 2.919 -11.079 1.00 0.00 H new ATOM 947 N LEU A 61 11.794 6.216 -7.304 1.00 0.00 N ATOM 948 CA LEU A 61 11.211 6.808 -6.105 1.00 0.00 C ATOM 949 C LEU A 61 9.891 7.530 -6.413 1.00 0.00 C ATOM 950 O LEU A 61 8.878 7.200 -5.812 1.00 0.00 O ATOM 951 CB LEU A 61 12.201 7.764 -5.428 1.00 0.00 C ATOM 952 CG LEU A 61 13.153 7.116 -4.415 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.537 8.113 -3.339 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.533 5.878 -3.786 1.00 0.00 C ATOM 0 H LEU A 61 12.757 6.499 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 61 10.991 5.993 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.796 8.251 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.636 8.546 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 61 14.051 6.808 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.213 7.638 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.034 8.969 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.641 8.450 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.233 5.443 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.614 6.154 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.307 5.149 -4.564 1.00 0.00 H new ATOM 966 N PRO A 62 9.863 8.505 -7.357 1.00 0.00 N ATOM 967 CA PRO A 62 8.629 9.232 -7.692 1.00 0.00 C ATOM 968 C PRO A 62 7.512 8.300 -8.161 1.00 0.00 C ATOM 969 O PRO A 62 6.327 8.586 -7.979 1.00 0.00 O ATOM 970 CB PRO A 62 9.048 10.167 -8.832 1.00 0.00 C ATOM 971 CG PRO A 62 10.523 10.298 -8.699 1.00 0.00 C ATOM 972 CD PRO A 62 11.006 8.988 -8.154 1.00 0.00 C ATOM 0 HA PRO A 62 8.226 9.753 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.774 9.753 -9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.556 11.136 -8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.984 10.514 -9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.783 11.119 -8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.262 8.291 -8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.899 9.113 -7.541 1.00 0.00 H new ATOM 980 N ASP A 63 7.904 7.181 -8.758 1.00 0.00 N ATOM 981 CA ASP A 63 6.950 6.191 -9.249 1.00 0.00 C ATOM 982 C ASP A 63 6.332 5.427 -8.081 1.00 0.00 C ATOM 983 O ASP A 63 5.110 5.374 -7.936 1.00 0.00 O ATOM 984 CB ASP A 63 7.644 5.214 -10.202 1.00 0.00 C ATOM 985 CG ASP A 63 6.665 4.432 -11.054 1.00 0.00 C ATOM 986 OD1 ASP A 63 6.124 3.415 -10.572 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.450 4.819 -12.222 1.00 0.00 O ATOM 0 H ASP A 63 8.881 6.935 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 63 6.158 6.710 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.323 5.767 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.252 4.518 -9.623 1.00 0.00 H new ATOM 992 N ALA A 64 7.191 4.864 -7.240 1.00 0.00 N ATOM 993 CA ALA A 64 6.745 4.084 -6.093 1.00 0.00 C ATOM 994 C ALA A 64 6.095 4.979 -5.038 1.00 0.00 C ATOM 995 O ALA A 64 5.205 4.545 -4.308 1.00 0.00 O ATOM 996 CB ALA A 64 7.914 3.311 -5.499 1.00 0.00 C ATOM 0 H ALA A 64 8.204 4.934 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 64 5.992 3.373 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.569 2.732 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.325 2.637 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.686 4.010 -5.177 1.00 0.00 H new ATOM 1002 N ASP A 65 6.542 6.228 -4.968 1.00 0.00 N ATOM 1003 CA ASP A 65 5.990 7.197 -4.024 1.00 0.00 C ATOM 1004 C ASP A 65 4.520 7.462 -4.320 1.00 0.00 C ATOM 1005 O ASP A 65 3.677 7.419 -3.425 1.00 0.00 O ATOM 1006 CB ASP A 65 6.780 8.506 -4.081 1.00 0.00 C ATOM 1007 CG ASP A 65 6.260 9.545 -3.113 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.146 9.238 -1.912 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.968 10.677 -3.549 1.00 0.00 O ATOM 0 H ASP A 65 7.289 6.596 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 65 6.071 6.778 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.828 8.303 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.739 8.906 -5.094 1.00 0.00 H new ATOM 1014 N ARG A 66 4.211 7.709 -5.586 1.00 0.00 N ATOM 1015 CA ARG A 66 2.834 7.942 -5.988 1.00 0.00 C ATOM 1016 C ARG A 66 2.030 6.653 -5.902 1.00 0.00 C ATOM 1017 O ARG A 66 0.818 6.683 -5.700 1.00 0.00 O ATOM 1018 CB ARG A 66 2.764 8.518 -7.400 1.00 0.00 C ATOM 1019 CG ARG A 66 1.886 9.755 -7.492 1.00 0.00 C ATOM 1020 CD ARG A 66 1.216 9.886 -8.853 1.00 0.00 C ATOM 1021 NE ARG A 66 0.668 8.615 -9.328 1.00 0.00 N ATOM 1022 CZ ARG A 66 -0.605 8.242 -9.172 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -1.457 9.010 -8.503 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -1.026 7.087 -9.664 1.00 0.00 N ATOM 0 H ARG A 66 4.890 7.753 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 66 2.402 8.671 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.771 8.768 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.382 7.756 -8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.122 9.715 -6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.490 10.642 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.416 10.624 -8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.940 10.260 -9.577 1.00 0.00 H new ATOM 0 HE ARG A 66 1.298 7.973 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.141 9.894 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.427 8.716 -8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.377 6.479 -10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.999 6.805 -9.543 1.00 0.00 H new ATOM 1038 N GLU A 67 2.711 5.521 -6.047 1.00 0.00 N ATOM 1039 CA GLU A 67 2.079 4.223 -5.869 1.00 0.00 C ATOM 1040 C GLU A 67 1.613 4.063 -4.423 1.00 0.00 C ATOM 1041 O GLU A 67 0.521 3.568 -4.172 1.00 0.00 O ATOM 1042 CB GLU A 67 3.045 3.092 -6.235 1.00 0.00 C ATOM 1043 CG GLU A 67 2.910 2.610 -7.671 1.00 0.00 C ATOM 1044 CD GLU A 67 1.535 2.056 -7.981 1.00 0.00 C ATOM 1045 OE1 GLU A 67 1.246 0.908 -7.591 1.00 0.00 O ATOM 1046 OE2 GLU A 67 0.737 2.761 -8.633 1.00 0.00 O ATOM 0 H GLU A 67 3.701 5.479 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 67 1.216 4.167 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.067 3.432 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.877 2.251 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.124 3.437 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.658 1.840 -7.862 1.00 0.00 H new ATOM 1053 N ARG A 68 2.442 4.504 -3.478 1.00 0.00 N ATOM 1054 CA ARG A 68 2.085 4.460 -2.067 1.00 0.00 C ATOM 1055 C ARG A 68 0.870 5.347 -1.803 1.00 0.00 C ATOM 1056 O ARG A 68 -0.015 4.996 -1.021 1.00 0.00 O ATOM 1057 CB ARG A 68 3.288 4.890 -1.219 1.00 0.00 C ATOM 1058 CG ARG A 68 2.961 5.800 -0.052 1.00 0.00 C ATOM 1059 CD ARG A 68 4.184 6.607 0.352 1.00 0.00 C ATOM 1060 NE ARG A 68 4.303 7.865 -0.392 1.00 0.00 N ATOM 1061 CZ ARG A 68 3.372 8.822 -0.438 1.00 0.00 C ATOM 1062 NH1 ARG A 68 2.272 8.738 0.301 1.00 0.00 N ATOM 1063 NH2 ARG A 68 3.568 9.884 -1.204 1.00 0.00 N ATOM 0 H ARG A 68 3.365 4.895 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 68 1.817 3.441 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.780 3.996 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.005 5.397 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.148 6.473 -0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.614 5.206 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.135 6.824 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.080 6.007 0.190 1.00 0.00 H new ATOM 0 HE ARG A 68 5.164 8.022 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.129 7.935 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.570 9.476 0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.424 9.966 -1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.863 10.620 -1.246 1.00 0.00 H new ATOM 1077 N GLU A 69 0.832 6.492 -2.471 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.314 7.391 -2.386 1.00 0.00 C ATOM 1079 C GLU A 69 -1.549 6.719 -2.985 1.00 0.00 C ATOM 1080 O GLU A 69 -2.641 6.785 -2.425 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.019 8.705 -3.114 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.559 9.935 -2.402 1.00 0.00 C ATOM 1083 CD GLU A 69 0.504 10.661 -1.607 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.378 11.311 -2.218 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.479 10.580 -0.359 1.00 0.00 O ATOM 0 H GLU A 69 1.582 6.822 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.507 7.615 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.059 8.810 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.447 8.659 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.987 10.617 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.367 9.638 -1.734 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.353 6.047 -4.114 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.427 5.328 -4.793 1.00 0.00 C ATOM 1094 C ALA A 70 -2.861 4.098 -3.994 1.00 0.00 C ATOM 1095 O ALA A 70 -3.938 3.547 -4.213 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.978 4.923 -6.191 1.00 0.00 C ATOM 0 H ALA A 70 -0.450 5.985 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.287 5.993 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.785 4.387 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.725 5.815 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.103 4.277 -6.119 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.024 3.694 -3.052 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.305 2.540 -2.212 1.00 0.00 C ATOM 1104 C ILE A 71 -3.188 2.989 -1.059 1.00 0.00 C ATOM 1105 O ILE A 71 -4.135 2.304 -0.661 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.993 1.886 -1.697 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.672 0.652 -2.531 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.071 1.503 -0.221 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.767 0.589 -2.981 1.00 0.00 C ATOM 0 H ILE A 71 -1.136 4.153 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.825 1.780 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.200 2.627 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.902 -0.240 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.320 0.637 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.129 1.050 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.258 2.395 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.882 0.790 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.925 -0.315 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.996 1.463 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.421 0.573 -2.109 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.886 4.176 -0.556 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.712 4.819 0.446 1.00 0.00 C ATOM 1123 C LEU A 72 -5.035 5.221 -0.178 1.00 0.00 C ATOM 1124 O LEU A 72 -6.058 5.292 0.496 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.999 6.043 1.016 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.740 5.729 1.821 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -1.234 6.979 2.517 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -2.019 4.625 2.828 1.00 0.00 C ATOM 0 H LEU A 72 -2.065 4.716 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.897 4.121 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.732 6.707 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.695 6.588 1.653 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.965 5.381 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.336 6.740 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.999 7.740 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.002 7.356 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.113 4.412 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.806 4.945 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.338 3.725 2.302 1.00 0.00 H new ATOM 1140 N ALA A 73 -5.009 5.454 -1.481 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.224 5.777 -2.217 1.00 0.00 C ATOM 1142 C ALA A 73 -7.193 4.598 -2.194 1.00 0.00 C ATOM 1143 O ALA A 73 -8.408 4.780 -2.153 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.903 6.180 -3.649 1.00 0.00 C ATOM 0 H ALA A 73 -4.163 5.426 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.701 6.626 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.827 6.416 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.254 7.056 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.397 5.357 -4.154 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.645 3.388 -2.204 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.454 2.185 -2.081 1.00 0.00 C ATOM 1152 C ILE A 74 -7.980 2.053 -0.654 1.00 0.00 C ATOM 1153 O ILE A 74 -9.147 1.730 -0.423 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.642 0.920 -2.446 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.241 0.950 -3.921 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.433 -0.342 -2.133 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.939 0.231 -4.208 1.00 0.00 C ATOM 0 H ILE A 74 -5.644 3.216 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.288 2.273 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.736 0.911 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.035 0.497 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.153 1.987 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.841 -1.218 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.666 -0.371 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.359 -0.343 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.717 0.292 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.133 0.698 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.029 -0.815 -3.916 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.110 2.344 0.303 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.447 2.220 1.716 1.00 0.00 C ATOM 1171 C HIS A 75 -8.398 3.323 2.160 1.00 0.00 C ATOM 1172 O HIS A 75 -8.998 3.231 3.221 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.150 2.193 2.556 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.942 3.330 3.532 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.681 3.134 4.870 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.927 4.670 3.350 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.510 4.303 5.458 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.656 5.249 4.559 1.00 0.00 N ATOM 0 H HIS A 75 -6.160 2.670 0.126 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.976 1.280 1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.128 1.258 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.303 2.175 1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.098 5.189 2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.287 4.456 6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.580 6.251 4.734 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.533 4.357 1.349 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.392 5.481 1.690 1.00 0.00 C ATOM 1189 C LYS A 76 -10.838 5.019 1.868 1.00 0.00 C ATOM 1190 O LYS A 76 -11.523 5.451 2.793 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.269 6.590 0.631 1.00 0.00 C ATOM 1192 CG LYS A 76 -10.481 6.750 -0.274 1.00 0.00 C ATOM 1193 CD LYS A 76 -10.254 7.830 -1.317 1.00 0.00 C ATOM 1194 CE LYS A 76 -11.281 8.947 -1.196 1.00 0.00 C ATOM 1195 NZ LYS A 76 -12.542 8.623 -1.914 1.00 0.00 N ATOM 0 H LYS A 76 -8.060 4.443 0.450 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.066 5.899 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.085 7.537 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.396 6.385 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.695 5.803 -0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.355 7.000 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.251 8.242 -1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.307 7.392 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.499 9.127 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.862 9.870 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.078 9.498 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.317 8.169 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.114 7.975 -1.336 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.281 4.115 1.006 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.625 3.563 1.119 1.00 0.00 C ATOM 1211 C GLU A 77 -12.660 2.456 2.168 1.00 0.00 C ATOM 1212 O GLU A 77 -13.643 2.295 2.891 1.00 0.00 O ATOM 1213 CB GLU A 77 -13.097 3.016 -0.231 1.00 0.00 C ATOM 1214 CG GLU A 77 -13.312 4.083 -1.290 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.104 5.267 -0.776 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -15.155 5.054 -0.141 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -13.683 6.416 -1.012 1.00 0.00 O ATOM 0 H GLU A 77 -10.735 3.750 0.226 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.297 4.364 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.363 2.298 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.030 2.471 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.344 4.429 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.833 3.644 -2.141 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.562 1.721 2.269 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.498 0.552 3.141 1.00 0.00 C ATOM 1226 C ALA A 78 -11.178 0.936 4.583 1.00 0.00 C ATOM 1227 O ALA A 78 -11.171 0.088 5.474 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.466 -0.431 2.611 1.00 0.00 C ATOM 0 H ALA A 78 -10.700 1.912 1.758 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.480 0.080 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.423 -1.301 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.747 -0.747 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.488 0.049 2.581 1.00 0.00 H new ATOM 1234 N GLN A 79 -10.887 2.207 4.806 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.606 2.694 6.148 1.00 0.00 C ATOM 1236 C GLN A 79 -11.739 3.561 6.666 1.00 0.00 C ATOM 1237 O GLN A 79 -12.083 3.501 7.844 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.292 3.484 6.179 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.544 3.356 7.491 1.00 0.00 C ATOM 1240 CD GLN A 79 -7.510 2.247 7.467 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.326 2.476 7.698 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -7.945 1.037 7.172 1.00 0.00 N ATOM 0 H GLN A 79 -10.839 2.919 4.078 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.510 1.824 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.650 3.139 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.505 4.536 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.052 4.302 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.256 3.166 8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.936 0.883 6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.290 0.256 7.130 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.333 4.349 5.781 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.407 5.256 6.174 1.00 0.00 C ATOM 1253 C ARG A 80 -14.586 4.483 6.760 1.00 0.00 C ATOM 1254 O ARG A 80 -15.226 4.950 7.698 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.865 6.123 4.990 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.525 5.345 3.863 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.687 6.111 3.251 1.00 0.00 C ATOM 1258 NE ARG A 80 -16.367 5.331 2.220 1.00 0.00 N ATOM 1259 CZ ARG A 80 -17.502 4.663 2.419 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -18.115 4.717 3.595 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -18.047 3.963 1.431 1.00 0.00 N ATOM 0 H ARG A 80 -12.092 4.380 4.790 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.014 5.919 6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.565 6.875 5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.003 6.657 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.787 5.127 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.881 4.387 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.398 6.379 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.321 7.043 2.820 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.947 5.296 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.717 5.272 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.984 4.203 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.596 3.936 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.916 3.453 1.587 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.848 3.292 6.230 1.00 0.00 N ATOM 1276 CA ILE A 81 -15.919 2.453 6.750 1.00 0.00 C ATOM 1277 C ILE A 81 -15.620 2.053 8.194 1.00 0.00 C ATOM 1278 O ILE A 81 -16.515 1.971 9.032 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.124 1.178 5.896 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -14.814 0.400 5.738 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.687 1.532 4.530 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -14.699 -0.781 6.677 1.00 0.00 C ATOM 0 H ILE A 81 -14.336 2.889 5.445 1.00 0.00 H new ATOM 0 HA ILE A 81 -16.837 3.039 6.708 1.00 0.00 H new ATOM 0 HB ILE A 81 -16.839 0.542 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.732 0.047 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -13.976 1.075 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.824 0.622 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.647 2.033 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.994 2.195 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -13.748 -1.286 6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -14.750 -0.432 7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -15.517 -1.476 6.489 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.342 1.840 8.483 1.00 0.00 N ATOM 1295 CA ALA A 82 -13.913 1.406 9.801 1.00 0.00 C ATOM 1296 C ALA A 82 -13.904 2.572 10.772 1.00 0.00 C ATOM 1297 O ALA A 82 -14.226 2.415 11.950 1.00 0.00 O ATOM 1298 CB ALA A 82 -12.533 0.772 9.724 1.00 0.00 C ATOM 0 H ALA A 82 -13.582 1.963 7.814 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.621 0.661 10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.224 0.451 10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.566 -0.091 9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.819 1.500 9.339 1.00 0.00 H new ATOM 1304 N GLU A 83 -13.543 3.742 10.266 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.485 4.938 11.087 1.00 0.00 C ATOM 1306 C GLU A 83 -14.888 5.484 11.351 1.00 0.00 C ATOM 1307 O GLU A 83 -15.103 6.230 12.306 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.610 5.988 10.410 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.142 5.586 10.330 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.215 6.780 10.258 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.716 7.916 10.126 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -8.982 6.591 10.332 1.00 0.00 O ATOM 0 H GLU A 83 -13.286 3.887 9.290 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.043 4.683 12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.985 6.170 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.693 6.928 10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.886 4.984 11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.988 4.958 9.453 1.00 0.00 H new ATOM 1319 N SER A 84 -15.839 5.113 10.501 1.00 0.00 N ATOM 1320 CA SER A 84 -17.234 5.470 10.720 1.00 0.00 C ATOM 1321 C SER A 84 -17.876 4.507 11.712 1.00 0.00 C ATOM 1322 O SER A 84 -18.895 4.815 12.332 1.00 0.00 O ATOM 1323 CB SER A 84 -18.006 5.466 9.399 1.00 0.00 C ATOM 1324 OG SER A 84 -17.368 6.295 8.440 1.00 0.00 O ATOM 0 H SER A 84 -15.669 4.567 9.656 1.00 0.00 H new ATOM 0 HA SER A 84 -17.271 6.477 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.076 4.448 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 84 -19.025 5.814 9.567 1.00 0.00 H new ATOM 0 HG SER A 84 -16.725 5.764 7.925 1.00 0.00 H new ATOM 1330 N ASN A 85 -17.260 3.344 11.864 1.00 0.00 N ATOM 1331 CA ASN A 85 -17.714 2.354 12.818 1.00 0.00 C ATOM 1332 C ASN A 85 -16.781 2.364 14.014 1.00 0.00 C ATOM 1333 O ASN A 85 -16.074 3.342 14.252 1.00 0.00 O ATOM 1334 CB ASN A 85 -17.713 0.959 12.181 1.00 0.00 C ATOM 1335 CG ASN A 85 -18.925 0.694 11.310 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -19.950 0.201 11.780 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -18.806 1.003 10.027 1.00 0.00 N ATOM 0 H ASN A 85 -16.436 3.065 11.331 1.00 0.00 H new ATOM 0 HA ASN A 85 -18.730 2.594 13.131 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.811 0.843 11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.670 0.208 12.970 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.582 0.834 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.938 1.410 9.679 1.00 0.00 H new ATOM 1344 N HIS A 86 -16.774 1.281 14.759 1.00 0.00 N ATOM 1345 CA HIS A 86 -15.803 1.099 15.816 1.00 0.00 C ATOM 1346 C HIS A 86 -15.255 -0.317 15.755 1.00 0.00 C ATOM 1347 O HIS A 86 -15.118 -0.996 16.773 1.00 0.00 O ATOM 1348 CB HIS A 86 -16.433 1.375 17.182 1.00 0.00 C ATOM 1349 CG HIS A 86 -15.569 2.202 18.079 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -15.210 1.804 19.346 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -14.989 3.411 17.888 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -14.451 2.732 19.898 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -14.297 3.715 19.035 1.00 0.00 N ATOM 0 H HIS A 86 -17.433 0.510 14.652 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.986 1.807 15.677 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.386 1.884 17.038 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.649 0.426 17.672 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.058 4.022 17.000 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -14.027 2.692 20.891 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.753 4.563 19.193 1.00 0.00 H new ATOM 1362 N ILE A 87 -14.944 -0.752 14.541 1.00 0.00 N ATOM 1363 CA ILE A 87 -14.519 -2.125 14.295 1.00 0.00 C ATOM 1364 C ILE A 87 -13.031 -2.316 14.575 1.00 0.00 C ATOM 1365 O ILE A 87 -12.328 -1.377 14.957 1.00 0.00 O ATOM 1366 CB ILE A 87 -14.818 -2.555 12.843 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -13.943 -1.780 11.854 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -16.287 -2.349 12.518 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -13.368 -2.643 10.752 1.00 0.00 C ATOM 0 H ILE A 87 -14.978 -0.169 13.705 1.00 0.00 H new ATOM 0 HA ILE A 87 -15.090 -2.752 14.981 1.00 0.00 H new ATOM 0 HB ILE A 87 -14.585 -3.616 12.750 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -14.534 -0.980 11.407 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.126 -1.307 12.398 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -16.479 -2.658 11.490 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -16.897 -2.946 13.196 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.541 -1.295 12.634 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -12.759 -2.028 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.750 -3.427 11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.180 -3.096 10.183 1.00 0.00 H new ATOM 1381 N LYS A 88 -12.560 -3.536 14.367 1.00 0.00 N ATOM 1382 CA LYS A 88 -11.170 -3.878 14.590 1.00 0.00 C ATOM 1383 C LYS A 88 -10.596 -4.554 13.351 1.00 0.00 C ATOM 1384 O LYS A 88 -10.656 -5.777 13.210 1.00 0.00 O ATOM 1385 CB LYS A 88 -11.035 -4.801 15.801 1.00 0.00 C ATOM 1386 CG LYS A 88 -10.105 -4.264 16.876 1.00 0.00 C ATOM 1387 CD LYS A 88 -10.838 -4.054 18.188 1.00 0.00 C ATOM 1388 CE LYS A 88 -10.807 -5.307 19.043 1.00 0.00 C ATOM 1389 NZ LYS A 88 -12.172 -5.818 19.327 1.00 0.00 N ATOM 0 H LYS A 88 -13.133 -4.314 14.039 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.612 -2.963 14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.022 -4.964 16.235 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.669 -5.772 15.468 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.280 -4.960 17.026 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.670 -3.321 16.545 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.382 -3.228 18.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.872 -3.773 17.988 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.229 -6.079 18.535 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.297 -5.093 19.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.107 -6.674 19.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.716 -5.091 19.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.650 -6.047 18.432 1.00 0.00 H new ATOM 1403 N LEU A 89 -10.070 -3.742 12.448 1.00 0.00 N ATOM 1404 CA LEU A 89 -9.431 -4.238 11.232 1.00 0.00 C ATOM 1405 C LEU A 89 -8.296 -5.205 11.565 1.00 0.00 C ATOM 1406 O LEU A 89 -8.017 -6.134 10.807 1.00 0.00 O ATOM 1407 CB LEU A 89 -8.885 -3.078 10.406 1.00 0.00 C ATOM 1408 CG LEU A 89 -9.864 -2.480 9.397 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -9.536 -1.018 9.153 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -9.828 -3.259 8.089 1.00 0.00 C ATOM 0 H LEU A 89 -10.072 -2.726 12.533 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.186 -4.770 10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.562 -2.290 11.086 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.999 -3.420 9.870 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.871 -2.549 9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.240 -0.602 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.609 -0.467 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.523 -0.933 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.532 -2.818 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.822 -3.221 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.104 -4.297 8.276 1.00 0.00 H new ATOM 1422 N SER A 90 -7.647 -4.971 12.697 1.00 0.00 N ATOM 1423 CA SER A 90 -6.585 -5.841 13.176 1.00 0.00 C ATOM 1424 C SER A 90 -7.117 -7.250 13.438 1.00 0.00 C ATOM 1425 O SER A 90 -7.829 -7.486 14.416 1.00 0.00 O ATOM 1426 CB SER A 90 -5.994 -5.249 14.453 1.00 0.00 C ATOM 1427 OG SER A 90 -6.308 -3.869 14.552 1.00 0.00 O ATOM 0 H SER A 90 -7.841 -4.176 13.306 1.00 0.00 H new ATOM 0 HA SER A 90 -5.809 -5.913 12.414 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.384 -5.780 15.321 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.912 -5.383 14.456 1.00 0.00 H new ATOM 0 HG SER A 90 -5.924 -3.504 15.377 1.00 0.00 H new ATOM 1433 N GLY A 91 -6.777 -8.178 12.551 1.00 0.00 N ATOM 1434 CA GLY A 91 -7.262 -9.539 12.674 1.00 0.00 C ATOM 1435 C GLY A 91 -8.278 -9.873 11.599 1.00 0.00 C ATOM 1436 O GLY A 91 -8.638 -11.034 11.406 1.00 0.00 O ATOM 0 H GLY A 91 -6.172 -8.011 11.747 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.423 -10.231 12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.713 -9.677 13.656 1.00 0.00 H new ATOM 1440 N SER A 92 -8.740 -8.845 10.901 1.00 0.00 N ATOM 1441 CA SER A 92 -9.696 -9.013 9.815 1.00 0.00 C ATOM 1442 C SER A 92 -9.014 -8.751 8.475 1.00 0.00 C ATOM 1443 O SER A 92 -9.666 -8.501 7.459 1.00 0.00 O ATOM 1444 CB SER A 92 -10.878 -8.065 10.011 1.00 0.00 C ATOM 1445 OG SER A 92 -11.196 -7.929 11.390 1.00 0.00 O ATOM 0 H SER A 92 -8.465 -7.877 11.070 1.00 0.00 H new ATOM 0 HA SER A 92 -10.068 -10.038 9.820 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.639 -7.088 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.745 -8.442 9.469 1.00 0.00 H new ATOM 0 HG SER A 92 -10.880 -7.060 11.714 1.00 0.00 H new ATOM 1451 N ASN A 93 -7.691 -8.800 8.495 1.00 0.00 N ATOM 1452 CA ASN A 93 -6.883 -8.587 7.303 1.00 0.00 C ATOM 1453 C ASN A 93 -6.378 -9.919 6.765 1.00 0.00 C ATOM 1454 O ASN A 93 -5.396 -10.470 7.262 1.00 0.00 O ATOM 1455 CB ASN A 93 -5.691 -7.662 7.585 1.00 0.00 C ATOM 1456 CG ASN A 93 -5.275 -7.603 9.051 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -5.371 -8.587 9.787 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -4.797 -6.447 9.483 1.00 0.00 N ATOM 0 H ASN A 93 -7.147 -8.988 9.337 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.518 -8.107 6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.840 -7.995 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.940 -6.655 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.494 -6.351 10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.731 -5.653 8.847 1.00 0.00 H new ATOM 1465 N PRO A 94 -7.051 -10.449 5.736 1.00 0.00 N ATOM 1466 CA PRO A 94 -6.735 -11.758 5.178 1.00 0.00 C ATOM 1467 C PRO A 94 -5.587 -11.725 4.169 1.00 0.00 C ATOM 1468 O PRO A 94 -4.723 -12.601 4.180 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.044 -12.153 4.499 1.00 0.00 C ATOM 1470 CG PRO A 94 -8.654 -10.860 4.070 1.00 0.00 C ATOM 1471 CD PRO A 94 -8.189 -9.815 5.049 1.00 0.00 C ATOM 0 HA PRO A 94 -6.393 -12.457 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.866 -12.809 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.699 -12.692 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.346 -10.605 3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.742 -10.928 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.888 -8.899 4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.979 -9.546 5.750 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.566 -10.712 3.309 1.00 0.00 N ATOM 1480 CA TYR A 95 -4.575 -10.656 2.246 1.00 0.00 C ATOM 1481 C TYR A 95 -3.408 -9.774 2.661 1.00 0.00 C ATOM 1482 O TYR A 95 -2.261 -10.209 2.672 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.185 -10.133 0.935 1.00 0.00 C ATOM 1484 CG TYR A 95 -6.688 -10.304 0.804 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.270 -11.563 0.704 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.525 -9.198 0.774 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -8.638 -11.708 0.576 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -8.888 -9.335 0.645 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.443 -10.591 0.549 1.00 0.00 C ATOM 1490 OH TYR A 95 -10.806 -10.731 0.427 1.00 0.00 O ATOM 0 H TYR A 95 -6.217 -9.927 3.328 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.217 -11.671 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.947 -9.074 0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.704 -10.644 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.642 -12.442 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.098 -8.209 0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.074 -12.693 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.520 -8.460 0.619 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.250 -10.276 1.173 1.00 0.00 H new ATOM 1500 N THR A 96 -3.720 -8.542 3.032 1.00 0.00 N ATOM 1501 CA THR A 96 -2.705 -7.570 3.378 1.00 0.00 C ATOM 1502 C THR A 96 -2.885 -7.103 4.821 1.00 0.00 C ATOM 1503 O THR A 96 -4.004 -6.850 5.270 1.00 0.00 O ATOM 1504 CB THR A 96 -2.742 -6.379 2.385 1.00 0.00 C ATOM 1505 OG1 THR A 96 -1.454 -6.188 1.793 1.00 0.00 O ATOM 1506 CG2 THR A 96 -3.203 -5.080 3.034 1.00 0.00 C ATOM 0 H THR A 96 -4.676 -8.194 3.100 1.00 0.00 H new ATOM 0 HA THR A 96 -1.724 -8.038 3.302 1.00 0.00 H new ATOM 0 HB THR A 96 -3.473 -6.636 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.122 -7.044 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.208 -4.283 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.209 -5.210 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.522 -4.816 3.843 1.00 0.00 H new ATOM 1514 N THR A 97 -1.780 -7.045 5.544 1.00 0.00 N ATOM 1515 CA THR A 97 -1.776 -6.575 6.921 1.00 0.00 C ATOM 1516 C THR A 97 -1.218 -5.155 6.999 1.00 0.00 C ATOM 1517 O THR A 97 -1.543 -4.386 7.909 1.00 0.00 O ATOM 1518 CB THR A 97 -0.913 -7.494 7.800 1.00 0.00 C ATOM 1519 OG1 THR A 97 -1.230 -8.869 7.545 1.00 0.00 O ATOM 1520 CG2 THR A 97 -1.118 -7.177 9.267 1.00 0.00 C ATOM 0 H THR A 97 -0.862 -7.321 5.196 1.00 0.00 H new ATOM 0 HA THR A 97 -2.805 -6.584 7.281 1.00 0.00 H new ATOM 0 HB THR A 97 0.134 -7.321 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.672 -9.444 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.498 -7.839 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.837 -6.141 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.166 -7.323 9.528 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.360 -4.848 6.034 1.00 0.00 N ATOM 1529 CA VAL A 98 0.303 -3.550 5.915 1.00 0.00 C ATOM 1530 C VAL A 98 -0.645 -2.375 6.150 1.00 0.00 C ATOM 1531 O VAL A 98 -1.469 -2.035 5.299 1.00 0.00 O ATOM 1532 CB VAL A 98 0.958 -3.390 4.526 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.378 -3.931 4.534 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.136 -4.089 3.455 1.00 0.00 C ATOM 0 H VAL A 98 -0.099 -5.504 5.298 1.00 0.00 H new ATOM 0 HA VAL A 98 1.065 -3.532 6.694 1.00 0.00 H new ATOM 0 HB VAL A 98 0.993 -2.326 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.820 -3.808 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.971 -3.385 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.363 -4.989 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.618 -3.962 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.063 -5.151 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.864 -3.656 3.423 1.00 0.00 H new ATOM 1544 N THR A 99 -0.515 -1.756 7.314 1.00 0.00 N ATOM 1545 CA THR A 99 -1.304 -0.592 7.660 1.00 0.00 C ATOM 1546 C THR A 99 -0.667 0.666 7.064 1.00 0.00 C ATOM 1547 O THR A 99 0.513 0.644 6.704 1.00 0.00 O ATOM 1548 CB THR A 99 -1.397 -0.467 9.192 1.00 0.00 C ATOM 1549 OG1 THR A 99 -0.660 -1.537 9.798 1.00 0.00 O ATOM 1550 CG2 THR A 99 -2.842 -0.522 9.661 1.00 0.00 C ATOM 0 H THR A 99 0.139 -2.048 8.040 1.00 0.00 H new ATOM 0 HA THR A 99 -2.308 -0.703 7.251 1.00 0.00 H new ATOM 0 HB THR A 99 -0.978 0.495 9.486 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.728 -1.470 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.876 -0.431 10.747 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.402 0.298 9.211 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.286 -1.472 9.362 1.00 0.00 H new ATOM 1558 N PRO A 100 -1.428 1.770 6.940 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.919 3.030 6.382 1.00 0.00 C ATOM 1560 C PRO A 100 0.376 3.484 7.049 1.00 0.00 C ATOM 1561 O PRO A 100 1.314 3.915 6.381 1.00 0.00 O ATOM 1562 CB PRO A 100 -2.042 4.039 6.661 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.973 3.353 7.603 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.841 1.889 7.315 1.00 0.00 C ATOM 0 HA PRO A 100 -0.676 2.927 5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.646 4.955 7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.553 4.321 5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.713 3.573 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.999 3.690 7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.083 1.280 8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.504 1.572 6.510 1.00 0.00 H new ATOM 1572 N GLN A 101 0.432 3.361 8.370 1.00 0.00 N ATOM 1573 CA GLN A 101 1.605 3.770 9.130 1.00 0.00 C ATOM 1574 C GLN A 101 2.770 2.842 8.849 1.00 0.00 C ATOM 1575 O GLN A 101 3.916 3.272 8.810 1.00 0.00 O ATOM 1576 CB GLN A 101 1.295 3.771 10.626 1.00 0.00 C ATOM 1577 CG GLN A 101 1.884 4.954 11.376 1.00 0.00 C ATOM 1578 CD GLN A 101 1.059 5.345 12.587 1.00 0.00 C ATOM 1579 OE1 GLN A 101 0.044 4.715 12.889 1.00 0.00 O ATOM 1580 NE2 GLN A 101 1.484 6.385 13.285 1.00 0.00 N ATOM 0 H GLN A 101 -0.325 2.980 8.938 1.00 0.00 H new ATOM 0 HA GLN A 101 1.876 4.780 8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.214 3.768 10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.674 2.849 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.897 4.710 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.959 5.807 10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.330 6.879 13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.966 6.693 14.108 1.00 0.00 H new ATOM 1589 N ILE A 102 2.465 1.573 8.632 1.00 0.00 N ATOM 1590 CA ILE A 102 3.488 0.579 8.365 1.00 0.00 C ATOM 1591 C ILE A 102 4.142 0.836 7.006 1.00 0.00 C ATOM 1592 O ILE A 102 5.367 0.819 6.884 1.00 0.00 O ATOM 1593 CB ILE A 102 2.896 -0.853 8.440 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.144 -1.454 9.827 1.00 0.00 C ATOM 1595 CG2 ILE A 102 3.476 -1.765 7.365 1.00 0.00 C ATOM 1596 CD1 ILE A 102 2.346 -0.802 10.935 1.00 0.00 C ATOM 0 H ILE A 102 1.513 1.207 8.636 1.00 0.00 H new ATOM 0 HA ILE A 102 4.258 0.661 9.132 1.00 0.00 H new ATOM 0 HB ILE A 102 1.823 -0.775 8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.904 -2.517 9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.205 -1.373 10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.035 -2.758 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.252 -1.355 6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.556 -1.836 7.492 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.579 -1.285 11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.602 0.256 10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.281 -0.906 10.726 1.00 0.00 H new ATOM 1608 N ILE A 103 3.322 1.117 5.998 1.00 0.00 N ATOM 1609 CA ILE A 103 3.829 1.349 4.652 1.00 0.00 C ATOM 1610 C ILE A 103 4.476 2.733 4.537 1.00 0.00 C ATOM 1611 O ILE A 103 5.447 2.915 3.799 1.00 0.00 O ATOM 1612 CB ILE A 103 2.719 1.162 3.582 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.325 0.641 2.281 1.00 0.00 C ATOM 1614 CG2 ILE A 103 1.951 2.454 3.325 1.00 0.00 C ATOM 1615 CD1 ILE A 103 2.681 -0.635 1.780 1.00 0.00 C ATOM 0 H ILE A 103 2.309 1.189 6.088 1.00 0.00 H new ATOM 0 HA ILE A 103 4.598 0.600 4.460 1.00 0.00 H new ATOM 0 HB ILE A 103 2.009 0.431 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.233 1.410 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.390 0.466 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.185 2.278 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.480 2.787 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.639 3.222 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.162 -0.946 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.796 -1.419 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.621 -0.460 1.597 1.00 0.00 H new ATOM 1627 N ASN A 104 3.954 3.700 5.287 1.00 0.00 N ATOM 1628 CA ASN A 104 4.511 5.050 5.285 1.00 0.00 C ATOM 1629 C ASN A 104 5.847 5.074 6.016 1.00 0.00 C ATOM 1630 O ASN A 104 6.837 5.582 5.490 1.00 0.00 O ATOM 1631 CB ASN A 104 3.537 6.048 5.925 1.00 0.00 C ATOM 1632 CG ASN A 104 3.775 7.477 5.468 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.913 7.937 5.387 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.703 8.201 5.184 1.00 0.00 N ATOM 0 H ASN A 104 3.150 3.575 5.902 1.00 0.00 H new ATOM 0 HA ASN A 104 4.671 5.348 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.515 5.759 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.632 5.997 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.807 9.171 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.774 7.788 5.262 1.00 0.00 H new ATOM 1641 N SER A 105 5.882 4.511 7.224 1.00 0.00 N ATOM 1642 CA SER A 105 7.130 4.420 7.980 1.00 0.00 C ATOM 1643 C SER A 105 8.193 3.653 7.192 1.00 0.00 C ATOM 1644 O SER A 105 9.381 3.973 7.267 1.00 0.00 O ATOM 1645 CB SER A 105 6.901 3.749 9.336 1.00 0.00 C ATOM 1646 OG SER A 105 5.924 4.443 10.094 1.00 0.00 O ATOM 0 H SER A 105 5.069 4.115 7.696 1.00 0.00 H new ATOM 0 HA SER A 105 7.487 5.436 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.583 2.718 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.839 3.715 9.891 1.00 0.00 H new ATOM 0 HG SER A 105 5.030 4.212 9.766 1.00 0.00 H new ATOM 1652 N LYS A 106 7.760 2.649 6.433 1.00 0.00 N ATOM 1653 CA LYS A 106 8.668 1.878 5.596 1.00 0.00 C ATOM 1654 C LYS A 106 9.285 2.767 4.526 1.00 0.00 C ATOM 1655 O LYS A 106 10.504 2.774 4.337 1.00 0.00 O ATOM 1656 CB LYS A 106 7.928 0.704 4.949 1.00 0.00 C ATOM 1657 CG LYS A 106 8.591 -0.640 5.188 1.00 0.00 C ATOM 1658 CD LYS A 106 7.975 -1.365 6.370 1.00 0.00 C ATOM 1659 CE LYS A 106 7.434 -2.729 5.968 1.00 0.00 C ATOM 1660 NZ LYS A 106 8.400 -3.818 6.264 1.00 0.00 N ATOM 0 H LYS A 106 6.785 2.352 6.382 1.00 0.00 H new ATOM 0 HA LYS A 106 9.467 1.483 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.909 0.671 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.856 0.878 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.498 -1.256 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.657 -0.494 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.723 -1.486 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.169 -0.762 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.500 -2.919 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.203 -2.728 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.071 -4.702 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.334 -3.568 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.472 -3.948 7.293 1.00 0.00 H new ATOM 1674 N TRP A 107 8.436 3.528 3.843 1.00 0.00 N ATOM 1675 CA TRP A 107 8.893 4.475 2.838 1.00 0.00 C ATOM 1676 C TRP A 107 9.827 5.503 3.458 1.00 0.00 C ATOM 1677 O TRP A 107 10.863 5.842 2.885 1.00 0.00 O ATOM 1678 CB TRP A 107 7.702 5.181 2.188 1.00 0.00 C ATOM 1679 CG TRP A 107 8.105 6.143 1.117 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.252 7.493 1.228 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.421 5.815 -0.231 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.641 8.024 0.025 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.751 7.011 -0.890 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.454 4.622 -0.937 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.115 7.043 -2.233 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.817 4.649 -2.271 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.141 5.855 -2.906 1.00 0.00 C ATOM 0 H TRP A 107 7.424 3.505 3.970 1.00 0.00 H new ATOM 0 HA TRP A 107 9.437 3.922 2.072 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.031 4.434 1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.140 5.714 2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.086 8.062 2.131 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.819 9.011 -0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.201 3.690 -0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.367 7.971 -2.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.851 3.727 -2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.417 5.845 -3.950 1.00 0.00 H new ATOM 1698 N GLU A 108 9.468 5.972 4.645 1.00 0.00 N ATOM 1699 CA GLU A 108 10.242 6.976 5.343 1.00 0.00 C ATOM 1700 C GLU A 108 11.647 6.455 5.637 1.00 0.00 C ATOM 1701 O GLU A 108 12.629 7.188 5.534 1.00 0.00 O ATOM 1702 CB GLU A 108 9.531 7.358 6.638 1.00 0.00 C ATOM 1703 CG GLU A 108 8.586 8.540 6.485 1.00 0.00 C ATOM 1704 CD GLU A 108 8.731 9.557 7.600 1.00 0.00 C ATOM 1705 OE1 GLU A 108 9.834 9.665 8.173 1.00 0.00 O ATOM 1706 OE2 GLU A 108 7.741 10.258 7.904 1.00 0.00 O ATOM 0 H GLU A 108 8.634 5.665 5.146 1.00 0.00 H new ATOM 0 HA GLU A 108 10.333 7.861 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.969 6.498 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.277 7.595 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.773 9.028 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.558 8.177 6.462 1.00 0.00 H new ATOM 1713 N LYS A 109 11.729 5.176 5.980 1.00 0.00 N ATOM 1714 CA LYS A 109 13.004 4.532 6.249 1.00 0.00 C ATOM 1715 C LYS A 109 13.850 4.461 4.983 1.00 0.00 C ATOM 1716 O LYS A 109 15.057 4.685 5.017 1.00 0.00 O ATOM 1717 CB LYS A 109 12.771 3.130 6.804 1.00 0.00 C ATOM 1718 CG LYS A 109 13.542 2.850 8.082 1.00 0.00 C ATOM 1719 CD LYS A 109 12.889 1.747 8.902 1.00 0.00 C ATOM 1720 CE LYS A 109 11.500 2.147 9.379 1.00 0.00 C ATOM 1721 NZ LYS A 109 11.393 2.150 10.861 1.00 0.00 N ATOM 0 H LYS A 109 10.920 4.562 6.078 1.00 0.00 H new ATOM 0 HA LYS A 109 13.543 5.125 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.706 2.995 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.055 2.397 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.564 2.563 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.601 3.760 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.820 0.840 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.516 1.513 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.259 3.139 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.764 1.458 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.430 2.428 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.597 1.198 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.077 2.826 11.257 1.00 0.00 H new ATOM 1735 N VAL A 110 13.203 4.149 3.869 1.00 0.00 N ATOM 1736 CA VAL A 110 13.872 4.108 2.575 1.00 0.00 C ATOM 1737 C VAL A 110 14.421 5.489 2.208 1.00 0.00 C ATOM 1738 O VAL A 110 15.558 5.617 1.751 1.00 0.00 O ATOM 1739 CB VAL A 110 12.904 3.622 1.473 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.527 3.759 0.091 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.486 2.182 1.727 1.00 0.00 C ATOM 0 H VAL A 110 12.210 3.919 3.835 1.00 0.00 H new ATOM 0 HA VAL A 110 14.702 3.405 2.649 1.00 0.00 H new ATOM 0 HB VAL A 110 12.017 4.254 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.821 3.409 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.769 4.805 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.437 3.161 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.804 1.857 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.368 1.542 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.985 2.113 2.693 1.00 0.00 H new ATOM 1751 N GLN A 111 13.612 6.519 2.445 1.00 0.00 N ATOM 1752 CA GLN A 111 13.978 7.893 2.108 1.00 0.00 C ATOM 1753 C GLN A 111 15.241 8.334 2.830 1.00 0.00 C ATOM 1754 O GLN A 111 16.149 8.903 2.226 1.00 0.00 O ATOM 1755 CB GLN A 111 12.843 8.843 2.467 1.00 0.00 C ATOM 1756 CG GLN A 111 11.650 8.705 1.553 1.00 0.00 C ATOM 1757 CD GLN A 111 11.653 9.737 0.442 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.943 10.910 0.670 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.337 9.306 -0.769 1.00 0.00 N ATOM 0 H GLN A 111 12.691 6.426 2.873 1.00 0.00 H new ATOM 0 HA GLN A 111 14.166 7.923 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.531 8.656 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.208 9.869 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.643 7.706 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.735 8.805 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.102 8.324 -0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.328 9.956 -1.555 1.00 0.00 H new ATOM 1768 N GLN A 112 15.299 8.044 4.116 1.00 0.00 N ATOM 1769 CA GLN A 112 16.410 8.502 4.953 1.00 0.00 C ATOM 1770 C GLN A 112 17.661 7.659 4.723 1.00 0.00 C ATOM 1771 O GLN A 112 18.709 7.912 5.313 1.00 0.00 O ATOM 1772 CB GLN A 112 16.026 8.490 6.437 1.00 0.00 C ATOM 1773 CG GLN A 112 15.406 7.191 6.910 1.00 0.00 C ATOM 1774 CD GLN A 112 16.362 6.355 7.736 1.00 0.00 C ATOM 1775 OE1 GLN A 112 16.870 6.804 8.764 1.00 0.00 O ATOM 1776 NE2 GLN A 112 16.612 5.139 7.289 1.00 0.00 N ATOM 0 H GLN A 112 14.595 7.495 4.610 1.00 0.00 H new ATOM 0 HA GLN A 112 16.633 9.529 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.916 8.692 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.325 9.303 6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.518 7.411 7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.078 6.613 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.168 4.809 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.249 4.529 7.800 1.00 0.00 H new ATOM 1785 N LEU A 113 17.549 6.664 3.858 1.00 0.00 N ATOM 1786 CA LEU A 113 18.691 5.835 3.510 1.00 0.00 C ATOM 1787 C LEU A 113 19.274 6.271 2.171 1.00 0.00 C ATOM 1788 O LEU A 113 20.397 5.906 1.819 1.00 0.00 O ATOM 1789 CB LEU A 113 18.289 4.362 3.458 1.00 0.00 C ATOM 1790 CG LEU A 113 18.322 3.643 4.803 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.385 2.449 4.791 1.00 0.00 C ATOM 1792 CD2 LEU A 113 19.739 3.210 5.140 1.00 0.00 C ATOM 0 H LEU A 113 16.681 6.411 3.385 1.00 0.00 H new ATOM 0 HA LEU A 113 19.453 5.958 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.282 4.289 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 113 18.953 3.843 2.768 1.00 0.00 H new ATOM 0 HG LEU A 113 17.983 4.336 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.421 1.948 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.367 2.787 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.692 1.753 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 113 19.744 2.699 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.106 2.534 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.385 4.087 5.191 1.00 0.00 H new ATOM 1804 N VAL A 114 18.507 7.070 1.433 1.00 0.00 N ATOM 1805 CA VAL A 114 18.944 7.550 0.124 1.00 0.00 C ATOM 1806 C VAL A 114 20.230 8.379 0.227 1.00 0.00 C ATOM 1807 O VAL A 114 21.236 8.017 -0.390 1.00 0.00 O ATOM 1808 CB VAL A 114 17.846 8.371 -0.594 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.360 8.927 -1.915 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.607 7.522 -0.826 1.00 0.00 C ATOM 0 H VAL A 114 17.584 7.398 1.717 1.00 0.00 H new ATOM 0 HA VAL A 114 19.147 6.661 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 114 17.578 9.209 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.570 9.500 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.216 9.575 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.662 8.104 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.847 8.118 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 114 16.865 6.663 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.218 7.176 0.132 1.00 0.00 H new ATOM 1820 N PRO A 115 20.236 9.483 1.011 1.00 0.00 N ATOM 1821 CA PRO A 115 21.417 10.345 1.144 1.00 0.00 C ATOM 1822 C PRO A 115 22.591 9.621 1.795 1.00 0.00 C ATOM 1823 O PRO A 115 23.747 9.836 1.427 1.00 0.00 O ATOM 1824 CB PRO A 115 20.941 11.495 2.042 1.00 0.00 C ATOM 1825 CG PRO A 115 19.453 11.437 1.992 1.00 0.00 C ATOM 1826 CD PRO A 115 19.111 9.992 1.816 1.00 0.00 C ATOM 0 HA PRO A 115 21.781 10.675 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.306 11.375 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.310 12.455 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.015 11.835 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.065 12.035 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.033 9.476 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.157 9.862 1.305 1.00 0.00 H new ATOM 1834 N LYS A 116 22.286 8.753 2.754 1.00 0.00 N ATOM 1835 CA LYS A 116 23.313 7.981 3.451 1.00 0.00 C ATOM 1836 C LYS A 116 24.100 7.125 2.461 1.00 0.00 C ATOM 1837 O LYS A 116 25.334 7.118 2.464 1.00 0.00 O ATOM 1838 CB LYS A 116 22.675 7.088 4.521 1.00 0.00 C ATOM 1839 CG LYS A 116 23.585 6.814 5.708 1.00 0.00 C ATOM 1840 CD LYS A 116 23.631 5.332 6.045 1.00 0.00 C ATOM 1841 CE LYS A 116 25.062 4.832 6.161 1.00 0.00 C ATOM 1842 NZ LYS A 116 25.373 4.350 7.532 1.00 0.00 N ATOM 0 H LYS A 116 21.334 8.565 3.068 1.00 0.00 H new ATOM 0 HA LYS A 116 23.997 8.678 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 116 21.759 7.560 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 116 22.389 6.139 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 116 24.591 7.169 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 116 23.233 7.374 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.105 5.154 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 116 23.108 4.766 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 116 25.223 4.024 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 116 25.749 5.635 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 26.358 4.018 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 25.245 5.127 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.734 3.567 7.778 1.00 0.00 H new ATOM 1856 N ARG A 117 23.375 6.421 1.601 1.00 0.00 N ATOM 1857 CA ARG A 117 23.992 5.564 0.596 1.00 0.00 C ATOM 1858 C ARG A 117 24.641 6.391 -0.503 1.00 0.00 C ATOM 1859 O ARG A 117 25.652 5.990 -1.077 1.00 0.00 O ATOM 1860 CB ARG A 117 22.948 4.602 0.011 1.00 0.00 C ATOM 1861 CG ARG A 117 23.472 3.711 -1.102 1.00 0.00 C ATOM 1862 CD ARG A 117 24.437 2.660 -0.574 1.00 0.00 C ATOM 1863 NE ARG A 117 23.999 1.300 -0.887 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.353 0.630 -1.986 1.00 0.00 C ATOM 1865 NH1 ARG A 117 25.157 1.187 -2.888 1.00 0.00 N ATOM 1866 NH2 ARG A 117 23.896 -0.599 -2.175 1.00 0.00 N ATOM 0 H ARG A 117 22.355 6.427 1.579 1.00 0.00 H new ATOM 0 HA ARG A 117 24.776 4.978 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 117 22.562 3.973 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.109 5.184 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.636 3.220 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 117 23.974 4.322 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.425 2.829 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.534 2.769 0.506 1.00 0.00 H new ATOM 0 HE ARG A 117 23.383 0.833 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 117 25.508 2.134 -2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 117 25.422 0.667 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 117 23.279 -1.026 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 117 24.161 -1.119 -3.012 1.00 0.00 H new ATOM 1880 N ASP A 118 24.068 7.553 -0.775 1.00 0.00 N ATOM 1881 CA ASP A 118 24.608 8.447 -1.791 1.00 0.00 C ATOM 1882 C ASP A 118 25.955 8.988 -1.338 1.00 0.00 C ATOM 1883 O ASP A 118 26.863 9.195 -2.145 1.00 0.00 O ATOM 1884 CB ASP A 118 23.637 9.599 -2.061 1.00 0.00 C ATOM 1885 CG ASP A 118 24.037 10.426 -3.267 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.668 10.044 -4.399 1.00 0.00 O ATOM 1887 OD2 ASP A 118 24.714 11.461 -3.089 1.00 0.00 O ATOM 0 H ASP A 118 23.230 7.900 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 118 24.743 7.888 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.636 9.197 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.589 10.243 -1.183 1.00 0.00 H new ATOM 1892 N HIS A 119 26.091 9.155 -0.029 1.00 0.00 N ATOM 1893 CA HIS A 119 27.315 9.686 0.550 1.00 0.00 C ATOM 1894 C HIS A 119 28.431 8.674 0.376 1.00 0.00 C ATOM 1895 O HIS A 119 29.507 9.003 -0.124 1.00 0.00 O ATOM 1896 CB HIS A 119 27.112 10.009 2.042 1.00 0.00 C ATOM 1897 CG HIS A 119 28.278 10.697 2.707 1.00 0.00 C ATOM 1898 ND1 HIS A 119 28.152 11.432 3.867 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.598 10.731 2.394 1.00 0.00 C ATOM 1900 CE1 HIS A 119 29.340 11.883 4.236 1.00 0.00 C ATOM 1901 NE2 HIS A 119 30.232 11.471 3.357 1.00 0.00 N ATOM 0 H HIS A 119 25.366 8.929 0.652 1.00 0.00 H new ATOM 0 HA HIS A 119 27.582 10.610 0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.229 10.640 2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 119 26.904 9.081 2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.064 10.260 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 119 29.544 12.486 5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 119 31.232 11.671 3.389 1.00 0.00 H new ATOM 1910 N ALA A 120 28.151 7.436 0.763 1.00 0.00 N ATOM 1911 CA ALA A 120 29.137 6.373 0.682 1.00 0.00 C ATOM 1912 C ALA A 120 29.573 6.152 -0.760 1.00 0.00 C ATOM 1913 O ALA A 120 30.743 5.896 -1.035 1.00 0.00 O ATOM 1914 CB ALA A 120 28.577 5.089 1.272 1.00 0.00 C ATOM 0 H ALA A 120 27.247 7.146 1.136 1.00 0.00 H new ATOM 0 HA ALA A 120 30.012 6.669 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.327 4.300 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.315 5.253 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.687 4.792 0.718 1.00 0.00 H new ATOM 1920 N LEU A 121 28.629 6.286 -1.679 1.00 0.00 N ATOM 1921 CA LEU A 121 28.898 6.073 -3.090 1.00 0.00 C ATOM 1922 C LEU A 121 29.813 7.158 -3.648 1.00 0.00 C ATOM 1923 O LEU A 121 30.798 6.860 -4.320 1.00 0.00 O ATOM 1924 CB LEU A 121 27.587 6.041 -3.876 1.00 0.00 C ATOM 1925 CG LEU A 121 26.808 4.731 -3.773 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.353 4.949 -4.147 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.433 3.669 -4.659 1.00 0.00 C ATOM 0 H LEU A 121 27.664 6.543 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 121 29.405 5.114 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 121 26.951 6.854 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.805 6.236 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 121 26.850 4.384 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.812 4.006 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 121 24.909 5.680 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.292 5.318 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.865 2.743 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.421 4.007 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.462 3.494 -4.346 1.00 0.00 H new ATOM 1939 N LEU A 122 29.491 8.408 -3.353 1.00 0.00 N ATOM 1940 CA LEU A 122 30.224 9.538 -3.908 1.00 0.00 C ATOM 1941 C LEU A 122 31.657 9.591 -3.396 1.00 0.00 C ATOM 1942 O LEU A 122 32.586 9.841 -4.164 1.00 0.00 O ATOM 1943 CB LEU A 122 29.503 10.850 -3.591 1.00 0.00 C ATOM 1944 CG LEU A 122 28.343 11.192 -4.527 1.00 0.00 C ATOM 1945 CD1 LEU A 122 27.798 12.572 -4.212 1.00 0.00 C ATOM 1946 CD2 LEU A 122 28.785 11.113 -5.982 1.00 0.00 C ATOM 0 H LEU A 122 28.725 8.667 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 122 30.263 9.402 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.124 10.802 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.228 11.663 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 122 27.549 10.462 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 122 26.973 12.800 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 122 27.442 12.596 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 122 28.587 13.313 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 122 27.945 11.360 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 122 29.597 11.820 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 122 29.130 10.103 -6.203 1.00 0.00 H new ATOM 1958 N GLU A 123 31.851 9.340 -2.110 1.00 0.00 N ATOM 1959 CA GLU A 123 33.193 9.384 -1.549 1.00 0.00 C ATOM 1960 C GLU A 123 33.996 8.152 -1.969 1.00 0.00 C ATOM 1961 O GLU A 123 35.228 8.182 -1.993 1.00 0.00 O ATOM 1962 CB GLU A 123 33.151 9.521 -0.025 1.00 0.00 C ATOM 1963 CG GLU A 123 32.463 8.374 0.692 1.00 0.00 C ATOM 1964 CD GLU A 123 32.583 8.486 2.198 1.00 0.00 C ATOM 1965 OE1 GLU A 123 32.515 9.616 2.725 1.00 0.00 O ATOM 1966 OE2 GLU A 123 32.750 7.447 2.860 1.00 0.00 O ATOM 0 H GLU A 123 31.112 9.108 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 123 33.695 10.266 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 123 34.172 9.605 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 123 32.641 10.450 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 123 31.409 8.354 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 123 32.898 7.430 0.364 1.00 0.00 H new ATOM 1973 N GLU A 124 33.300 7.076 -2.318 1.00 0.00 N ATOM 1974 CA GLU A 124 33.959 5.871 -2.796 1.00 0.00 C ATOM 1975 C GLU A 124 34.367 6.034 -4.254 1.00 0.00 C ATOM 1976 O GLU A 124 35.485 5.696 -4.633 1.00 0.00 O ATOM 1977 CB GLU A 124 33.044 4.656 -2.637 1.00 0.00 C ATOM 1978 CG GLU A 124 33.441 3.712 -1.507 1.00 0.00 C ATOM 1979 CD GLU A 124 34.689 4.149 -0.759 1.00 0.00 C ATOM 1980 OE1 GLU A 124 34.571 4.926 0.213 1.00 0.00 O ATOM 1981 OE2 GLU A 124 35.793 3.704 -1.128 1.00 0.00 O ATOM 0 H GLU A 124 32.283 7.015 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 124 34.855 5.710 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.026 5.004 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.035 4.098 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.613 3.635 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.604 2.716 -1.918 1.00 0.00 H new ATOM 1988 N GLN A 125 33.464 6.574 -5.066 1.00 0.00 N ATOM 1989 CA GLN A 125 33.754 6.793 -6.480 1.00 0.00 C ATOM 1990 C GLN A 125 34.829 7.859 -6.649 1.00 0.00 C ATOM 1991 O GLN A 125 35.537 7.885 -7.654 1.00 0.00 O ATOM 1992 CB GLN A 125 32.483 7.178 -7.251 1.00 0.00 C ATOM 1993 CG GLN A 125 31.927 8.547 -6.897 1.00 0.00 C ATOM 1994 CD GLN A 125 31.305 9.256 -8.084 1.00 0.00 C ATOM 1995 OE1 GLN A 125 31.634 10.402 -8.376 1.00 0.00 O ATOM 1996 NE2 GLN A 125 30.397 8.580 -8.771 1.00 0.00 N ATOM 0 H GLN A 125 32.532 6.866 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 125 34.129 5.858 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.698 7.151 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.716 6.427 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.178 8.438 -6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.728 9.165 -6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.152 7.629 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 125 29.942 9.010 -9.576 1.00 0.00 H new ATOM 2005 N SER A 126 34.950 8.738 -5.663 1.00 0.00 N ATOM 2006 CA SER A 126 35.998 9.750 -5.677 1.00 0.00 C ATOM 2007 C SER A 126 37.331 9.160 -5.217 1.00 0.00 C ATOM 2008 O SER A 126 38.396 9.695 -5.519 1.00 0.00 O ATOM 2009 CB SER A 126 35.610 10.935 -4.790 1.00 0.00 C ATOM 2010 OG SER A 126 34.424 11.560 -5.257 1.00 0.00 O ATOM 0 H SER A 126 34.339 8.771 -4.847 1.00 0.00 H new ATOM 0 HA SER A 126 36.114 10.103 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.465 10.593 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.423 11.660 -4.772 1.00 0.00 H new ATOM 0 HG SER A 126 33.643 11.073 -4.920 1.00 0.00 H new ATOM 2016 N LYS A 127 37.269 8.051 -4.489 1.00 0.00 N ATOM 2017 CA LYS A 127 38.471 7.344 -4.075 1.00 0.00 C ATOM 2018 C LYS A 127 38.971 6.463 -5.208 1.00 0.00 C ATOM 2019 O LYS A 127 40.034 5.843 -5.121 1.00 0.00 O ATOM 2020 CB LYS A 127 38.193 6.504 -2.831 1.00 0.00 C ATOM 2021 CG LYS A 127 39.129 6.817 -1.678 1.00 0.00 C ATOM 2022 CD LYS A 127 38.400 7.528 -0.552 1.00 0.00 C ATOM 2023 CE LYS A 127 37.539 6.568 0.250 1.00 0.00 C ATOM 2024 NZ LYS A 127 36.131 7.030 0.338 1.00 0.00 N ATOM 0 H LYS A 127 36.398 7.623 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 127 39.242 8.075 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 127 37.164 6.670 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.281 5.448 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 127 39.569 5.893 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 127 39.950 7.440 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 127 39.125 8.005 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 127 37.775 8.320 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 127 37.569 5.581 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 127 37.950 6.463 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 35.504 6.210 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 36.026 7.672 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 35.875 7.532 -0.536 1.00 0.00 H new ATOM 2038 N GLN A 128 38.184 6.407 -6.271 1.00 0.00 N ATOM 2039 CA GLN A 128 38.562 5.689 -7.468 1.00 0.00 C ATOM 2040 C GLN A 128 39.068 6.670 -8.516 1.00 0.00 C ATOM 2041 O GLN A 128 39.563 7.746 -8.184 1.00 0.00 O ATOM 2042 CB GLN A 128 37.369 4.895 -8.003 1.00 0.00 C ATOM 2043 CG GLN A 128 36.963 3.736 -7.110 1.00 0.00 C ATOM 2044 CD GLN A 128 37.557 2.417 -7.564 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.345 1.984 -8.696 1.00 0.00 O ATOM 2046 NE2 GLN A 128 38.312 1.775 -6.689 1.00 0.00 N ATOM 0 H GLN A 128 37.270 6.857 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 128 39.362 4.987 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.519 5.567 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.613 4.512 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.280 3.941 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.876 3.656 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 128 38.463 2.168 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 128 38.744 0.886 -6.943 1.00 0.00 H new ATOM 2055 N GLN A 129 38.931 6.316 -9.777 1.00 0.00 N ATOM 2056 CA GLN A 129 39.434 7.139 -10.854 1.00 0.00 C ATOM 2057 C GLN A 129 38.383 7.256 -11.936 1.00 0.00 C ATOM 2058 O GLN A 129 38.009 6.211 -12.506 1.00 0.00 O ATOM 2059 CB GLN A 129 40.712 6.537 -11.441 1.00 0.00 C ATOM 2060 CG GLN A 129 41.053 5.156 -10.900 1.00 0.00 C ATOM 2061 CD GLN A 129 40.951 4.076 -11.957 1.00 0.00 C ATOM 2062 OE1 GLN A 129 41.776 3.164 -12.010 1.00 0.00 O ATOM 2063 NE2 GLN A 129 39.939 4.168 -12.806 1.00 0.00 N ATOM 2064 OXT GLN A 129 37.933 8.386 -12.211 1.00 0.00 O ATOM 0 H GLN A 129 38.472 5.457 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 129 39.665 8.128 -10.459 1.00 0.00 H new ATOM 0 HB2 GLN A 129 40.608 6.476 -12.524 1.00 0.00 H new ATOM 0 HB3 GLN A 129 41.545 7.211 -11.239 1.00 0.00 H new ATOM 0 HG2 GLN A 129 42.065 5.168 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 129 40.382 4.917 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 129 39.277 4.940 -12.728 1.00 0.00 H new ATOM 0 HE22 GLN A 129 39.822 3.467 -13.538 1.00 0.00 H new TER 2073 GLN A 129