USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1374 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 LYS NZ :NH3+ 180:sc= -1.25 (180deg=-1.06) USER MOD Set 1.2: B 527 MET CE :methyl -172:sc= -4.01 (180deg=-3.6!) USER MOD Set 2.1: A 51 MET CE :methyl 152:sc= -0.0378 (180deg=-0.00178) USER MOD Set 2.2: B 529 MET CE :methyl 136:sc= -0.124 (180deg=-1.38) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -119:sc= -1.09 (180deg=-5.39!) USER MOD Set 3.2: A 34 THR OG1 : rot 86:sc= 2.06 USER MOD Set 4.1: A 5 THR OG1 : rot 129:sc= 1.19 USER MOD Set 4.2: A 8 GLN : amide:sc= 0.622 K(o=1.8,f=-5.6!) USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.037) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -1.22 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -120:sc= -0.565 USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= -0.073 (180deg=-0.407) USER MOD Single : A 36 MET CE :methyl -158:sc= -0.017 (180deg=-0.154) USER MOD Single : A 38 SER OG : rot -68:sc= -1.46! USER MOD Single : A 41 GLN : amide:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.00202 X(o=0.002,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 49 GLN : amide:sc= 0.0785 X(o=0.078,f=0) USER MOD Single : A 53 ASN : amide:sc= 1.1 K(o=1.1,f=-0.016) USER MOD Single : A 60 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.007) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.332 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -147:sc= -0.0462 (180deg=-2.29) USER MOD Single : A 76 MET CE :methyl 141:sc= -0.564 (180deg=-2.67!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -25:sc= 0.102 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 118:sc= 0.292 USER MOD Single : A 101 SER OG : rot 180:sc= -1.34 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 162:sc= -3.67 (180deg=-4.86) USER MOD Single : A 110 THR OG1 : rot 89:sc= 1.07 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 168:sc= 0.599 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.089) USER MOD Single : A 137 ASN : amide:sc= -3.56! K(o=-3.6!,f=-2) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -175:sc= -0.312 (180deg=-0.477) USER MOD Single : A 145 MET CE :methyl -119:sc= -1.99 (180deg=-6.1!) USER MOD Single : A 146 THR OG1 : rot -57:sc= -1.62! USER MOD Single : A 148 LYS NZ :NH3+ -177:sc= 0.00225 (180deg=0.00198) USER MOD Single : B 505 HIS : no HD1:sc= -0.0843 K(o=-0.084,f=-0.76) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 141:sc= -0.0298 (180deg=-1.96!) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -51:sc= 0.294 USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.801 -18.809 5.826 1.00 7.80 N ATOM 2 CA ALA A 1 -4.400 -20.157 6.311 1.00 7.39 C ATOM 3 C ALA A 1 -3.009 -20.130 6.945 1.00 6.58 C ATOM 4 O ALA A 1 -2.785 -20.758 7.984 1.00 6.72 O ATOM 5 CB ALA A 1 -4.445 -21.162 5.168 1.00 7.99 C ATOM 0 H1 ALA A 1 -5.786 -18.838 5.494 1.00 7.80 H new ATOM 0 H2 ALA A 1 -4.717 -18.122 6.602 1.00 7.80 H new ATOM 0 H3 ALA A 1 -4.180 -18.523 5.042 1.00 7.80 H new ATOM 0 HA ALA A 1 -5.109 -20.463 7.080 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -4.149 -22.145 5.536 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -5.458 -21.214 4.769 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -3.760 -20.848 4.380 1.00 7.99 H new ATOM 13 N ASP A 2 -2.082 -19.401 6.310 1.00 6.04 N ATOM 14 CA ASP A 2 -0.708 -19.284 6.802 1.00 5.55 C ATOM 15 C ASP A 2 -0.303 -17.820 6.938 1.00 4.87 C ATOM 16 O ASP A 2 -0.547 -17.016 6.033 1.00 5.13 O ATOM 17 CB ASP A 2 0.263 -20.007 5.862 1.00 5.87 C ATOM 18 CG ASP A 2 0.114 -21.517 5.918 1.00 6.52 C ATOM 19 OD1 ASP A 2 0.803 -22.151 6.744 1.00 7.04 O ATOM 20 OD2 ASP A 2 -0.691 -22.063 5.135 1.00 6.78 O ATOM 0 H ASP A 2 -2.263 -18.882 5.451 1.00 6.04 H new ATOM 0 HA ASP A 2 -0.663 -19.751 7.786 1.00 5.55 H new ATOM 0 HB2 ASP A 2 0.095 -19.667 4.840 1.00 5.87 H new ATOM 0 HB3 ASP A 2 1.286 -19.737 6.124 1.00 5.87 H new ATOM 25 N GLN A 3 0.316 -17.488 8.075 1.00 4.34 N ATOM 26 CA GLN A 3 0.764 -16.121 8.351 1.00 3.83 C ATOM 27 C GLN A 3 2.228 -16.103 8.775 1.00 2.55 C ATOM 28 O GLN A 3 2.642 -16.885 9.636 1.00 2.57 O ATOM 29 CB GLN A 3 -0.102 -15.480 9.441 1.00 4.64 C ATOM 30 CG GLN A 3 -1.499 -15.098 8.972 1.00 5.89 C ATOM 31 CD GLN A 3 -2.327 -14.458 10.069 1.00 6.86 C ATOM 32 OE1 GLN A 3 -2.317 -13.238 10.239 1.00 7.41 O ATOM 33 NE2 GLN A 3 -3.050 -15.279 10.821 1.00 7.35 N ATOM 0 H GLN A 3 0.519 -18.152 8.822 1.00 4.34 H new ATOM 0 HA GLN A 3 0.661 -15.544 7.432 1.00 3.83 H new ATOM 0 HB2 GLN A 3 -0.187 -16.173 10.278 1.00 4.64 H new ATOM 0 HB3 GLN A 3 0.402 -14.589 9.815 1.00 4.64 H new ATOM 0 HG2 GLN A 3 -1.420 -14.408 8.132 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -2.012 -15.988 8.607 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -3.029 -16.284 10.645 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -3.627 -14.905 11.575 1.00 7.35 H new ATOM 42 N LEU A 4 3.001 -15.202 8.161 1.00 2.09 N ATOM 43 CA LEU A 4 4.426 -15.060 8.460 1.00 1.43 C ATOM 44 C LEU A 4 4.668 -13.828 9.338 1.00 1.51 C ATOM 45 O LEU A 4 3.805 -13.494 10.156 1.00 1.86 O ATOM 46 CB LEU A 4 5.253 -15.025 7.156 1.00 2.32 C ATOM 47 CG LEU A 4 5.239 -16.317 6.326 1.00 2.86 C ATOM 48 CD1 LEU A 4 4.058 -16.339 5.364 1.00 3.65 C ATOM 49 CD2 LEU A 4 6.547 -16.472 5.565 1.00 3.75 C ATOM 0 H LEU A 4 2.659 -14.557 7.449 1.00 2.09 H new ATOM 0 HA LEU A 4 4.760 -15.929 9.026 1.00 1.43 H new ATOM 0 HB2 LEU A 4 4.882 -14.211 6.534 1.00 2.32 H new ATOM 0 HB3 LEU A 4 6.286 -14.788 7.409 1.00 2.32 H new ATOM 0 HG LEU A 4 5.130 -17.157 7.011 1.00 2.86 H new ATOM 0 HD11 LEU A 4 4.074 -17.265 4.790 1.00 3.65 H new ATOM 0 HD12 LEU A 4 3.128 -16.278 5.929 1.00 3.65 H new ATOM 0 HD13 LEU A 4 4.126 -15.490 4.684 1.00 3.65 H new ATOM 0 HD21 LEU A 4 6.522 -17.392 4.982 1.00 3.75 H new ATOM 0 HD22 LEU A 4 6.682 -15.622 4.896 1.00 3.75 H new ATOM 0 HD23 LEU A 4 7.376 -16.513 6.271 1.00 3.75 H new ATOM 61 N THR A 5 5.831 -13.151 9.192 1.00 1.73 N ATOM 62 CA THR A 5 6.121 -11.954 9.992 1.00 2.05 C ATOM 63 C THR A 5 5.079 -10.872 9.682 1.00 1.66 C ATOM 64 O THR A 5 4.713 -10.667 8.527 1.00 1.15 O ATOM 65 CB THR A 5 7.555 -11.430 9.737 1.00 2.63 C ATOM 66 OG1 THR A 5 8.469 -12.531 9.660 1.00 3.14 O ATOM 67 CG2 THR A 5 8.016 -10.481 10.842 1.00 3.26 C ATOM 0 H THR A 5 6.568 -13.413 8.537 1.00 1.73 H new ATOM 0 HA THR A 5 6.064 -12.219 11.048 1.00 2.05 H new ATOM 0 HB THR A 5 7.540 -10.882 8.795 1.00 2.63 H new ATOM 0 HG1 THR A 5 9.009 -12.452 8.846 1.00 3.14 H new ATOM 0 HG21 THR A 5 9.027 -10.135 10.626 1.00 3.26 H new ATOM 0 HG22 THR A 5 7.343 -9.625 10.891 1.00 3.26 H new ATOM 0 HG23 THR A 5 8.008 -11.004 11.798 1.00 3.26 H new ATOM 75 N GLU A 6 4.689 -10.152 10.730 1.00 2.22 N ATOM 76 CA GLU A 6 3.620 -9.134 10.697 1.00 2.15 C ATOM 77 C GLU A 6 3.590 -8.192 9.487 1.00 1.73 C ATOM 78 O GLU A 6 2.581 -8.162 8.790 1.00 1.38 O ATOM 79 CB GLU A 6 3.708 -8.299 11.970 1.00 2.80 C ATOM 80 CG GLU A 6 3.216 -9.017 13.220 1.00 3.25 C ATOM 81 CD GLU A 6 3.339 -8.169 14.471 1.00 3.82 C ATOM 82 OE1 GLU A 6 2.295 -7.725 14.992 1.00 4.39 O ATOM 83 OE2 GLU A 6 4.480 -7.951 14.930 1.00 4.09 O ATOM 0 H GLU A 6 5.112 -10.256 11.652 1.00 2.22 H new ATOM 0 HA GLU A 6 2.696 -9.707 10.614 1.00 2.15 H new ATOM 0 HB2 GLU A 6 4.744 -7.996 12.122 1.00 2.80 H new ATOM 0 HB3 GLU A 6 3.126 -7.387 11.835 1.00 2.80 H new ATOM 0 HG2 GLU A 6 2.174 -9.304 13.082 1.00 3.25 H new ATOM 0 HG3 GLU A 6 3.785 -9.937 13.353 1.00 3.25 H new ATOM 90 N GLU A 7 4.675 -7.456 9.218 1.00 1.90 N ATOM 91 CA GLU A 7 4.689 -6.497 8.109 1.00 1.65 C ATOM 92 C GLU A 7 4.955 -7.144 6.765 1.00 1.44 C ATOM 93 O GLU A 7 4.673 -6.548 5.720 1.00 1.23 O ATOM 94 CB GLU A 7 5.696 -5.367 8.367 1.00 2.06 C ATOM 95 CG GLU A 7 5.286 -4.402 9.476 1.00 2.28 C ATOM 96 CD GLU A 7 4.244 -3.391 9.030 1.00 2.65 C ATOM 97 OE1 GLU A 7 4.627 -2.249 8.702 1.00 3.11 O ATOM 98 OE2 GLU A 7 3.046 -3.744 9.009 1.00 2.91 O ATOM 0 H GLU A 7 5.546 -7.505 9.747 1.00 1.90 H new ATOM 0 HA GLU A 7 3.685 -6.075 8.063 1.00 1.65 H new ATOM 0 HB2 GLU A 7 6.660 -5.807 8.622 1.00 2.06 H new ATOM 0 HB3 GLU A 7 5.836 -4.804 7.445 1.00 2.06 H new ATOM 0 HG2 GLU A 7 4.894 -4.972 10.319 1.00 2.28 H new ATOM 0 HG3 GLU A 7 6.169 -3.872 9.833 1.00 2.28 H new ATOM 105 N GLN A 8 5.492 -8.356 6.792 1.00 1.67 N ATOM 106 CA GLN A 8 5.761 -9.102 5.571 1.00 1.66 C ATOM 107 C GLN A 8 4.443 -9.667 5.037 1.00 1.23 C ATOM 108 O GLN A 8 4.175 -9.612 3.833 1.00 1.28 O ATOM 109 CB GLN A 8 6.789 -10.207 5.838 1.00 1.98 C ATOM 110 CG GLN A 8 8.073 -9.685 6.477 1.00 2.48 C ATOM 111 CD GLN A 8 9.201 -10.698 6.449 1.00 2.88 C ATOM 112 OE1 GLN A 8 9.362 -11.496 7.370 1.00 3.21 O ATOM 113 NE2 GLN A 8 9.993 -10.670 5.383 1.00 3.41 N ATOM 0 H GLN A 8 5.751 -8.845 7.649 1.00 1.67 H new ATOM 0 HA GLN A 8 6.189 -8.444 4.815 1.00 1.66 H new ATOM 0 HB2 GLN A 8 6.345 -10.959 6.490 1.00 1.98 H new ATOM 0 HB3 GLN A 8 7.033 -10.703 4.899 1.00 1.98 H new ATOM 0 HG2 GLN A 8 8.390 -8.781 5.957 1.00 2.48 H new ATOM 0 HG3 GLN A 8 7.870 -9.403 7.510 1.00 2.48 H new ATOM 0 HE21 GLN A 8 9.825 -9.991 4.640 1.00 3.41 H new ATOM 0 HE22 GLN A 8 10.769 -11.327 5.307 1.00 3.41 H new ATOM 122 N ILE A 9 3.630 -10.209 5.958 1.00 0.97 N ATOM 123 CA ILE A 9 2.310 -10.745 5.621 1.00 0.68 C ATOM 124 C ILE A 9 1.199 -9.684 5.706 1.00 0.57 C ATOM 125 O ILE A 9 0.082 -9.929 5.241 1.00 0.67 O ATOM 126 CB ILE A 9 1.919 -12.021 6.423 1.00 0.76 C ATOM 127 CG1 ILE A 9 2.379 -11.981 7.870 1.00 1.22 C ATOM 128 CG2 ILE A 9 2.457 -13.260 5.730 1.00 1.14 C ATOM 129 CD1 ILE A 9 1.425 -11.188 8.714 1.00 2.46 C ATOM 0 H ILE A 9 3.870 -10.286 6.946 1.00 0.97 H new ATOM 0 HA ILE A 9 2.403 -11.052 4.579 1.00 0.68 H new ATOM 0 HB ILE A 9 0.830 -12.057 6.446 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.457 -12.996 8.259 1.00 1.22 H new ATOM 0 HG13 ILE A 9 3.374 -11.540 7.927 1.00 1.22 H new ATOM 0 HG21 ILE A 9 2.177 -14.146 6.300 1.00 1.14 H new ATOM 0 HG22 ILE A 9 2.037 -13.327 4.726 1.00 1.14 H new ATOM 0 HG23 ILE A 9 3.543 -13.198 5.665 1.00 1.14 H new ATOM 0 HD11 ILE A 9 1.777 -11.174 9.746 1.00 2.46 H new ATOM 0 HD12 ILE A 9 1.368 -10.167 8.337 1.00 2.46 H new ATOM 0 HD13 ILE A 9 0.437 -11.646 8.674 1.00 2.46 H new ATOM 141 N ALA A 10 1.504 -8.506 6.296 1.00 0.59 N ATOM 142 CA ALA A 10 0.510 -7.414 6.423 1.00 0.64 C ATOM 143 C ALA A 10 0.252 -6.681 5.118 1.00 0.58 C ATOM 144 O ALA A 10 -0.796 -6.049 4.960 1.00 0.70 O ATOM 145 CB ALA A 10 0.977 -6.364 7.403 1.00 0.80 C ATOM 0 H ALA A 10 2.420 -8.288 6.688 1.00 0.59 H new ATOM 0 HA ALA A 10 -0.401 -7.910 6.756 1.00 0.64 H new ATOM 0 HB1 ALA A 10 0.228 -5.575 7.476 1.00 0.80 H new ATOM 0 HB2 ALA A 10 1.121 -6.819 8.383 1.00 0.80 H new ATOM 0 HB3 ALA A 10 1.920 -5.938 7.059 1.00 0.80 H new ATOM 151 N GLU A 11 1.191 -6.795 4.176 1.00 0.50 N ATOM 152 CA GLU A 11 1.107 -6.067 2.917 1.00 0.51 C ATOM 153 C GLU A 11 -0.085 -6.552 2.104 1.00 0.49 C ATOM 154 O GLU A 11 -0.935 -5.747 1.726 1.00 0.50 O ATOM 155 CB GLU A 11 2.404 -6.205 2.111 1.00 0.59 C ATOM 156 CG GLU A 11 2.566 -5.141 1.027 1.00 0.64 C ATOM 157 CD GLU A 11 3.025 -5.722 -0.296 1.00 0.88 C ATOM 158 OE1 GLU A 11 4.246 -5.709 -0.558 1.00 1.48 O ATOM 159 OE2 GLU A 11 2.163 -6.189 -1.070 1.00 1.48 O ATOM 0 H GLU A 11 2.017 -7.386 4.266 1.00 0.50 H new ATOM 0 HA GLU A 11 0.967 -5.010 3.144 1.00 0.51 H new ATOM 0 HB2 GLU A 11 3.253 -6.150 2.792 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.431 -7.191 1.647 1.00 0.59 H new ATOM 0 HG2 GLU A 11 1.616 -4.626 0.883 1.00 0.64 H new ATOM 0 HG3 GLU A 11 3.286 -4.394 1.361 1.00 0.64 H new ATOM 166 N PHE A 12 -0.149 -7.873 1.853 1.00 0.52 N ATOM 167 CA PHE A 12 -1.268 -8.441 1.114 1.00 0.53 C ATOM 168 C PHE A 12 -2.515 -8.463 2.001 1.00 0.49 C ATOM 169 O PHE A 12 -3.639 -8.482 1.493 1.00 0.54 O ATOM 170 CB PHE A 12 -0.942 -9.830 0.521 1.00 0.63 C ATOM 171 CG PHE A 12 -0.711 -10.946 1.510 1.00 1.22 C ATOM 172 CD1 PHE A 12 0.573 -11.313 1.872 1.00 2.05 C ATOM 173 CD2 PHE A 12 -1.781 -11.645 2.047 1.00 2.14 C ATOM 174 CE1 PHE A 12 0.786 -12.355 2.752 1.00 3.03 C ATOM 175 CE2 PHE A 12 -1.576 -12.683 2.932 1.00 3.14 C ATOM 176 CZ PHE A 12 -0.291 -13.040 3.284 1.00 3.44 C ATOM 0 H PHE A 12 0.554 -8.550 2.150 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.469 -7.801 0.255 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.761 -10.121 -0.137 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.052 -9.735 -0.101 1.00 0.63 H new ATOM 0 HD1 PHE A 12 1.417 -10.779 1.462 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -2.789 -11.373 1.769 1.00 2.14 H new ATOM 0 HE1 PHE A 12 1.793 -12.635 3.025 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -2.419 -13.215 3.348 1.00 3.14 H new ATOM 0 HZ PHE A 12 -0.126 -13.854 3.975 1.00 3.44 H new ATOM 186 N LYS A 13 -2.302 -8.462 3.342 1.00 0.47 N ATOM 187 CA LYS A 13 -3.398 -8.422 4.293 1.00 0.48 C ATOM 188 C LYS A 13 -4.183 -7.150 4.196 1.00 0.48 C ATOM 189 O LYS A 13 -5.406 -7.158 4.060 1.00 0.52 O ATOM 190 CB LYS A 13 -2.895 -8.489 5.732 1.00 0.51 C ATOM 191 CG LYS A 13 -3.973 -8.917 6.700 1.00 0.57 C ATOM 192 CD LYS A 13 -4.404 -10.340 6.397 1.00 0.60 C ATOM 193 CE LYS A 13 -5.864 -10.578 6.745 1.00 0.66 C ATOM 194 NZ LYS A 13 -6.275 -11.986 6.488 1.00 1.21 N ATOM 0 H LYS A 13 -1.376 -8.489 3.770 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.019 -9.283 4.046 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -2.060 -9.188 5.790 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -2.513 -7.511 6.026 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -3.603 -8.850 7.723 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -4.828 -8.245 6.626 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.244 -10.550 5.339 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.779 -11.035 6.958 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -6.031 -10.337 7.795 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -6.491 -9.905 6.160 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -7.277 -12.106 6.738 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -6.140 -12.209 5.481 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -5.695 -12.628 7.065 1.00 1.21 H new ATOM 208 N GLU A 14 -3.466 -6.059 4.327 1.00 0.47 N ATOM 209 CA GLU A 14 -4.078 -4.779 4.292 1.00 0.49 C ATOM 210 C GLU A 14 -4.542 -4.471 2.881 1.00 0.49 C ATOM 211 O GLU A 14 -5.525 -3.758 2.666 1.00 0.54 O ATOM 212 CB GLU A 14 -3.115 -3.715 4.786 1.00 0.50 C ATOM 213 CG GLU A 14 -3.235 -3.417 6.276 1.00 0.52 C ATOM 214 CD GLU A 14 -4.364 -2.453 6.598 1.00 1.25 C ATOM 215 OE1 GLU A 14 -4.115 -1.229 6.608 1.00 1.99 O ATOM 216 OE2 GLU A 14 -5.496 -2.923 6.838 1.00 1.95 O ATOM 0 H GLU A 14 -2.455 -6.047 4.459 1.00 0.47 H new ATOM 0 HA GLU A 14 -4.944 -4.781 4.953 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.095 -4.034 4.570 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -3.287 -2.795 4.227 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -3.396 -4.350 6.816 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -2.294 -2.999 6.635 1.00 0.52 H new ATOM 223 N ALA A 15 -3.795 -5.043 1.929 1.00 0.46 N ATOM 224 CA ALA A 15 -4.096 -4.929 0.511 1.00 0.48 C ATOM 225 C ALA A 15 -5.221 -5.876 0.123 1.00 0.50 C ATOM 226 O ALA A 15 -5.646 -5.955 -1.034 1.00 0.55 O ATOM 227 CB ALA A 15 -2.868 -5.192 -0.343 1.00 0.50 C ATOM 0 H ALA A 15 -2.963 -5.598 2.129 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.419 -3.905 0.326 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.131 -5.098 -1.397 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.092 -4.468 -0.097 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.499 -6.199 -0.149 1.00 0.50 H new ATOM 233 N PHE A 16 -5.680 -6.578 1.139 1.00 0.49 N ATOM 234 CA PHE A 16 -6.768 -7.539 1.027 1.00 0.53 C ATOM 235 C PHE A 16 -8.097 -6.802 1.184 1.00 0.57 C ATOM 236 O PHE A 16 -8.978 -6.934 0.339 1.00 0.60 O ATOM 237 CB PHE A 16 -6.634 -8.671 2.070 1.00 0.55 C ATOM 238 CG PHE A 16 -7.324 -9.949 1.674 1.00 0.56 C ATOM 239 CD1 PHE A 16 -6.648 -10.923 0.956 1.00 1.27 C ATOM 240 CD2 PHE A 16 -8.646 -10.174 2.022 1.00 1.27 C ATOM 241 CE1 PHE A 16 -7.279 -12.097 0.593 1.00 1.31 C ATOM 242 CE2 PHE A 16 -9.282 -11.347 1.661 1.00 1.27 C ATOM 243 CZ PHE A 16 -8.597 -12.310 0.946 1.00 0.62 C ATOM 0 H PHE A 16 -5.304 -6.498 2.084 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.727 -8.010 0.045 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.576 -8.877 2.235 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.044 -8.327 3.020 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -5.617 -10.762 0.677 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -9.186 -9.424 2.582 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -6.742 -12.848 0.033 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -10.313 -11.510 1.938 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.091 -13.228 0.664 1.00 0.62 H new ATOM 253 N SER A 17 -8.216 -6.009 2.268 1.00 0.61 N ATOM 254 CA SER A 17 -9.438 -5.241 2.537 1.00 0.67 C ATOM 255 C SER A 17 -9.455 -3.882 1.819 1.00 0.74 C ATOM 256 O SER A 17 -10.522 -3.290 1.632 1.00 0.78 O ATOM 257 CB SER A 17 -9.628 -5.051 4.045 1.00 0.74 C ATOM 258 OG SER A 17 -10.915 -4.532 4.342 1.00 1.41 O ATOM 0 H SER A 17 -7.482 -5.887 2.966 1.00 0.61 H new ATOM 0 HA SER A 17 -10.271 -5.820 2.138 1.00 0.67 H new ATOM 0 HB2 SER A 17 -9.492 -6.005 4.554 1.00 0.74 H new ATOM 0 HB3 SER A 17 -8.864 -4.374 4.427 1.00 0.74 H new ATOM 0 HG SER A 17 -11.008 -4.423 5.311 1.00 1.41 H new ATOM 264 N LEU A 18 -8.268 -3.400 1.424 1.00 0.79 N ATOM 265 CA LEU A 18 -8.121 -2.108 0.716 1.00 0.91 C ATOM 266 C LEU A 18 -8.642 -2.212 -0.733 1.00 0.81 C ATOM 267 O LEU A 18 -8.869 -1.197 -1.398 1.00 0.79 O ATOM 268 CB LEU A 18 -6.632 -1.649 0.769 1.00 1.26 C ATOM 269 CG LEU A 18 -6.127 -0.679 -0.330 1.00 0.69 C ATOM 270 CD1 LEU A 18 -6.721 0.713 -0.181 1.00 1.59 C ATOM 271 CD2 LEU A 18 -4.610 -0.604 -0.336 1.00 0.83 C ATOM 0 H LEU A 18 -7.385 -3.886 1.582 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.727 -1.352 1.215 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -6.464 -1.174 1.736 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.007 -2.541 0.739 1.00 1.26 H new ATOM 0 HG LEU A 18 -6.463 -1.082 -1.285 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -6.339 1.358 -0.972 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -7.807 0.655 -0.253 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.443 1.125 0.789 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -4.283 0.083 -1.116 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -4.260 -0.247 0.632 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -4.198 -1.594 -0.528 1.00 0.83 H new ATOM 283 N PHE A 19 -8.830 -3.452 -1.187 1.00 0.84 N ATOM 284 CA PHE A 19 -9.322 -3.747 -2.533 1.00 0.86 C ATOM 285 C PHE A 19 -10.682 -4.416 -2.487 1.00 0.75 C ATOM 286 O PHE A 19 -11.572 -4.091 -3.266 1.00 0.79 O ATOM 287 CB PHE A 19 -8.385 -4.735 -3.235 1.00 1.02 C ATOM 288 CG PHE A 19 -7.016 -4.213 -3.624 1.00 0.85 C ATOM 289 CD1 PHE A 19 -6.188 -3.582 -2.699 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.546 -4.386 -4.918 1.00 1.53 C ATOM 291 CE1 PHE A 19 -4.931 -3.137 -3.060 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.291 -3.939 -5.284 1.00 1.64 C ATOM 293 CZ PHE A 19 -4.483 -3.314 -4.353 1.00 1.28 C ATOM 0 H PHE A 19 -8.644 -4.285 -0.628 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.377 -2.796 -3.062 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.248 -5.597 -2.582 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.882 -5.094 -4.137 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -6.533 -3.439 -1.686 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.170 -4.877 -5.650 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.300 -2.651 -2.331 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.942 -4.078 -6.296 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.502 -2.964 -4.637 1.00 1.28 H new ATOM 303 N ASP A 20 -10.822 -5.350 -1.545 1.00 0.68 N ATOM 304 CA ASP A 20 -12.014 -6.170 -1.415 1.00 0.63 C ATOM 305 C ASP A 20 -13.310 -5.382 -1.059 1.00 0.66 C ATOM 306 O ASP A 20 -13.563 -5.057 0.105 1.00 0.74 O ATOM 307 CB ASP A 20 -11.702 -7.353 -0.440 1.00 0.60 C ATOM 308 CG ASP A 20 -12.386 -7.294 0.923 1.00 1.67 C ATOM 309 OD1 ASP A 20 -12.038 -6.404 1.725 1.00 2.45 O ATOM 310 OD2 ASP A 20 -13.263 -8.142 1.188 1.00 2.31 O ATOM 0 H ASP A 20 -10.104 -5.555 -0.850 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.257 -6.575 -2.398 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.988 -8.285 -0.928 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.624 -7.393 -0.282 1.00 0.60 H new ATOM 315 N LYS A 21 -14.091 -5.023 -2.099 1.00 0.73 N ATOM 316 CA LYS A 21 -15.396 -4.355 -1.909 1.00 0.80 C ATOM 317 C LYS A 21 -16.445 -5.429 -1.721 1.00 0.82 C ATOM 318 O LYS A 21 -17.277 -5.381 -0.810 1.00 0.91 O ATOM 319 CB LYS A 21 -15.786 -3.482 -3.097 1.00 1.01 C ATOM 320 CG LYS A 21 -14.979 -2.218 -3.204 1.00 0.97 C ATOM 321 CD LYS A 21 -13.843 -2.435 -4.163 1.00 0.95 C ATOM 322 CE LYS A 21 -12.910 -1.237 -4.217 1.00 1.05 C ATOM 323 NZ LYS A 21 -13.429 -0.180 -5.128 1.00 1.63 N ATOM 0 H LYS A 21 -13.842 -5.184 -3.075 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.322 -3.701 -1.040 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.668 -4.058 -4.015 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.842 -3.224 -3.017 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.609 -1.398 -3.548 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.594 -1.934 -2.224 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.281 -3.320 -3.865 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.241 -2.630 -5.159 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -12.786 -0.826 -3.215 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -11.924 -1.557 -4.554 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -12.749 -0.022 -5.899 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -14.341 -0.482 -5.527 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -13.560 0.704 -4.595 1.00 1.63 H new ATOM 337 N ASP A 22 -16.362 -6.400 -2.628 1.00 0.85 N ATOM 338 CA ASP A 22 -17.225 -7.586 -2.623 1.00 0.97 C ATOM 339 C ASP A 22 -16.646 -8.593 -1.616 1.00 0.88 C ATOM 340 O ASP A 22 -17.355 -9.084 -0.733 1.00 1.02 O ATOM 341 CB ASP A 22 -17.313 -8.191 -4.033 1.00 1.12 C ATOM 342 CG ASP A 22 -18.505 -9.118 -4.206 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.357 -10.331 -3.945 1.00 2.09 O ATOM 344 OD2 ASP A 22 -19.585 -8.630 -4.601 1.00 1.48 O ATOM 0 H ASP A 22 -15.689 -6.389 -3.395 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.239 -7.318 -2.326 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.376 -7.386 -4.765 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.397 -8.742 -4.244 1.00 1.12 H new ATOM 349 N GLY A 23 -15.342 -8.884 -1.778 1.00 0.75 N ATOM 350 CA GLY A 23 -14.613 -9.754 -0.864 1.00 0.75 C ATOM 351 C GLY A 23 -15.042 -11.202 -0.804 1.00 0.85 C ATOM 352 O GLY A 23 -15.346 -11.717 0.276 1.00 1.01 O ATOM 0 H GLY A 23 -14.776 -8.520 -2.544 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.558 -9.725 -1.138 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.694 -9.335 0.139 1.00 0.75 H new ATOM 356 N ASP A 24 -15.069 -11.857 -1.964 1.00 0.82 N ATOM 357 CA ASP A 24 -15.374 -13.293 -2.057 1.00 0.95 C ATOM 358 C ASP A 24 -14.185 -14.075 -1.471 1.00 0.87 C ATOM 359 O ASP A 24 -14.180 -15.306 -1.371 1.00 0.96 O ATOM 360 CB ASP A 24 -15.516 -13.648 -3.521 1.00 1.00 C ATOM 361 CG ASP A 24 -16.247 -14.959 -3.763 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.576 -16.011 -3.820 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.488 -14.931 -3.895 1.00 1.93 O ATOM 0 H ASP A 24 -14.882 -11.415 -2.864 1.00 0.82 H new ATOM 0 HA ASP A 24 -16.289 -13.534 -1.516 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.049 -12.845 -4.030 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.524 -13.707 -3.970 1.00 1.00 H new ATOM 368 N GLY A 25 -13.203 -13.272 -1.091 1.00 0.74 N ATOM 369 CA GLY A 25 -11.946 -13.715 -0.515 1.00 0.72 C ATOM 370 C GLY A 25 -10.813 -13.500 -1.492 1.00 0.65 C ATOM 371 O GLY A 25 -9.696 -13.987 -1.297 1.00 0.69 O ATOM 0 H GLY A 25 -13.263 -12.258 -1.179 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.748 -13.168 0.407 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -12.012 -14.771 -0.251 1.00 0.72 H new ATOM 375 N THR A 26 -11.138 -12.754 -2.549 1.00 0.62 N ATOM 376 CA THR A 26 -10.209 -12.409 -3.606 1.00 0.58 C ATOM 377 C THR A 26 -10.259 -10.922 -3.965 1.00 0.57 C ATOM 378 O THR A 26 -11.048 -10.153 -3.408 1.00 0.64 O ATOM 379 CB THR A 26 -10.539 -13.207 -4.868 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.935 -13.075 -5.178 1.00 0.63 O ATOM 381 CG2 THR A 26 -10.209 -14.669 -4.667 1.00 0.64 C ATOM 0 H THR A 26 -12.072 -12.370 -2.689 1.00 0.62 H new ATOM 0 HA THR A 26 -9.212 -12.646 -3.236 1.00 0.58 H new ATOM 0 HB THR A 26 -9.942 -12.815 -5.692 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.248 -13.886 -5.631 1.00 0.63 H new ATOM 0 HG21 THR A 26 -10.449 -15.224 -5.574 1.00 0.64 H new ATOM 0 HG22 THR A 26 -9.147 -14.775 -4.447 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.793 -15.063 -3.835 1.00 0.64 H new ATOM 389 N ILE A 27 -9.392 -10.551 -4.908 1.00 0.54 N ATOM 390 CA ILE A 27 -9.283 -9.216 -5.421 1.00 0.53 C ATOM 391 C ILE A 27 -9.758 -9.158 -6.828 1.00 0.53 C ATOM 392 O ILE A 27 -9.306 -9.902 -7.681 1.00 0.51 O ATOM 393 CB ILE A 27 -7.851 -8.723 -5.322 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.691 -8.156 -3.944 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.478 -7.687 -6.389 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.675 -8.891 -3.101 1.00 0.54 C ATOM 0 H ILE A 27 -8.735 -11.202 -5.338 1.00 0.54 H new ATOM 0 HA ILE A 27 -9.914 -8.563 -4.818 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.172 -9.557 -5.503 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.396 -7.110 -4.023 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.656 -8.178 -3.437 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.440 -7.383 -6.253 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.601 -8.124 -7.380 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.127 -6.816 -6.293 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.613 -8.425 -2.118 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -6.978 -9.932 -2.991 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.700 -8.847 -3.586 1.00 0.54 H new ATOM 408 N THR A 28 -10.615 -8.215 -7.058 1.00 0.59 N ATOM 409 CA THR A 28 -11.202 -8.040 -8.364 1.00 0.61 C ATOM 410 C THR A 28 -10.550 -6.907 -9.129 1.00 0.58 C ATOM 411 O THR A 28 -9.754 -6.123 -8.603 1.00 0.57 O ATOM 412 CB THR A 28 -12.716 -7.804 -8.250 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.218 -8.326 -7.010 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.477 -8.446 -9.408 1.00 0.73 C ATOM 0 H THR A 28 -10.931 -7.545 -6.357 1.00 0.59 H new ATOM 0 HA THR A 28 -11.028 -8.959 -8.923 1.00 0.61 H new ATOM 0 HB THR A 28 -12.874 -6.726 -8.286 1.00 0.69 H new ATOM 0 HG1 THR A 28 -14.183 -8.165 -6.954 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.544 -8.257 -9.291 1.00 0.73 H new ATOM 0 HG22 THR A 28 -13.134 -8.019 -10.350 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.297 -9.521 -9.410 1.00 0.73 H new ATOM 422 N THR A 29 -10.916 -6.875 -10.393 1.00 0.58 N ATOM 423 CA THR A 29 -10.429 -5.913 -11.367 1.00 0.57 C ATOM 424 C THR A 29 -10.900 -4.483 -11.054 1.00 0.62 C ATOM 425 O THR A 29 -10.101 -3.547 -11.139 1.00 0.64 O ATOM 426 CB THR A 29 -10.824 -6.322 -12.824 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.919 -5.535 -13.316 1.00 0.66 O ATOM 428 CG2 THR A 29 -11.182 -7.792 -12.956 1.00 0.59 C ATOM 0 H THR A 29 -11.583 -7.539 -10.787 1.00 0.58 H new ATOM 0 HA THR A 29 -9.341 -5.921 -11.297 1.00 0.57 H new ATOM 0 HB THR A 29 -9.933 -6.133 -13.423 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.670 -6.123 -13.539 1.00 0.66 H new ATOM 0 HG21 THR A 29 -11.446 -8.011 -13.991 1.00 0.59 H new ATOM 0 HG22 THR A 29 -10.328 -8.402 -12.663 1.00 0.59 H new ATOM 0 HG23 THR A 29 -12.029 -8.020 -12.309 1.00 0.59 H new ATOM 436 N LYS A 30 -12.186 -4.312 -10.670 1.00 0.77 N ATOM 437 CA LYS A 30 -12.707 -2.971 -10.339 1.00 0.85 C ATOM 438 C LYS A 30 -11.975 -2.369 -9.128 1.00 0.84 C ATOM 439 O LYS A 30 -11.880 -1.148 -9.011 1.00 0.93 O ATOM 440 CB LYS A 30 -14.242 -2.946 -10.137 1.00 1.01 C ATOM 441 CG LYS A 30 -14.818 -3.934 -9.117 1.00 1.06 C ATOM 442 CD LYS A 30 -15.125 -5.290 -9.747 1.00 1.10 C ATOM 443 CE LYS A 30 -16.150 -6.073 -8.933 1.00 1.16 C ATOM 444 NZ LYS A 30 -17.490 -5.416 -8.921 1.00 1.66 N ATOM 0 H LYS A 30 -12.866 -5.068 -10.584 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.504 -2.344 -11.207 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -14.529 -1.939 -9.835 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -14.715 -3.137 -11.100 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.109 -4.066 -8.299 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.729 -3.520 -8.685 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.500 -5.144 -10.760 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.206 -5.870 -9.828 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -16.245 -7.078 -9.344 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -15.792 -6.180 -7.909 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -18.222 -6.125 -8.714 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -17.507 -4.676 -8.190 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -17.675 -4.988 -9.851 1.00 1.66 H new ATOM 458 N GLU A 31 -11.449 -3.243 -8.242 1.00 0.82 N ATOM 459 CA GLU A 31 -10.671 -2.809 -7.071 1.00 0.87 C ATOM 460 C GLU A 31 -9.325 -2.288 -7.537 1.00 0.78 C ATOM 461 O GLU A 31 -8.886 -1.205 -7.148 1.00 0.81 O ATOM 462 CB GLU A 31 -10.377 -3.953 -6.065 1.00 1.02 C ATOM 463 CG GLU A 31 -11.260 -5.206 -6.153 1.00 1.82 C ATOM 464 CD GLU A 31 -12.716 -4.978 -5.806 1.00 2.69 C ATOM 465 OE1 GLU A 31 -13.395 -4.244 -6.549 1.00 3.34 O ATOM 466 OE2 GLU A 31 -13.179 -5.538 -4.790 1.00 3.27 O ATOM 0 H GLU A 31 -11.552 -4.255 -8.320 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.274 -2.051 -6.571 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -9.340 -4.260 -6.196 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.464 -3.548 -5.057 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -11.200 -5.606 -7.165 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -10.856 -5.967 -5.485 1.00 1.82 H new ATOM 473 N LEU A 32 -8.706 -3.101 -8.402 1.00 0.68 N ATOM 474 CA LEU A 32 -7.400 -2.845 -8.994 1.00 0.60 C ATOM 475 C LEU A 32 -7.281 -1.446 -9.557 1.00 0.66 C ATOM 476 O LEU A 32 -6.225 -0.839 -9.431 1.00 0.72 O ATOM 477 CB LEU A 32 -7.143 -3.939 -10.050 1.00 0.54 C ATOM 478 CG LEU A 32 -5.750 -4.025 -10.712 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.619 -3.546 -9.800 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.481 -5.454 -11.152 1.00 0.44 C ATOM 0 H LEU A 32 -9.118 -3.980 -8.715 1.00 0.68 H new ATOM 0 HA LEU A 32 -6.630 -2.892 -8.224 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.346 -4.903 -9.582 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.878 -3.809 -10.844 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.767 -3.356 -11.572 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.667 -3.632 -10.325 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -4.789 -2.505 -9.526 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.594 -4.159 -8.899 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.498 -5.512 -11.619 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.510 -6.113 -10.285 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -6.242 -5.763 -11.869 1.00 0.44 H new ATOM 492 N GLY A 33 -8.365 -0.940 -10.138 1.00 0.71 N ATOM 493 CA GLY A 33 -8.357 0.405 -10.672 1.00 0.80 C ATOM 494 C GLY A 33 -8.627 1.442 -9.624 1.00 0.83 C ATOM 495 O GLY A 33 -8.070 2.538 -9.676 1.00 0.91 O ATOM 0 H GLY A 33 -9.248 -1.440 -10.247 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.390 0.603 -11.133 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.108 0.484 -11.458 1.00 0.80 H new ATOM 499 N THR A 34 -9.484 1.083 -8.670 1.00 0.80 N ATOM 500 CA THR A 34 -9.806 1.948 -7.532 1.00 0.84 C ATOM 501 C THR A 34 -8.537 2.229 -6.724 1.00 0.83 C ATOM 502 O THR A 34 -8.448 3.234 -6.012 1.00 0.88 O ATOM 503 CB THR A 34 -10.818 1.265 -6.595 1.00 0.87 C ATOM 504 OG1 THR A 34 -11.920 0.751 -7.349 1.00 0.89 O ATOM 505 CG2 THR A 34 -11.349 2.223 -5.525 1.00 0.96 C ATOM 0 H THR A 34 -9.974 0.188 -8.662 1.00 0.80 H new ATOM 0 HA THR A 34 -10.231 2.872 -7.923 1.00 0.84 H new ATOM 0 HB THR A 34 -10.292 0.452 -6.095 1.00 0.87 H new ATOM 0 HG1 THR A 34 -11.703 -0.148 -7.674 1.00 0.89 H new ATOM 0 HG21 THR A 34 -12.060 1.698 -4.887 1.00 0.96 H new ATOM 0 HG22 THR A 34 -10.519 2.589 -4.920 1.00 0.96 H new ATOM 0 HG23 THR A 34 -11.846 3.065 -6.005 1.00 0.96 H new ATOM 513 N VAL A 35 -7.564 1.316 -6.854 1.00 0.77 N ATOM 514 CA VAL A 35 -6.289 1.427 -6.135 1.00 0.79 C ATOM 515 C VAL A 35 -5.324 2.356 -6.884 1.00 0.80 C ATOM 516 O VAL A 35 -4.918 3.410 -6.386 1.00 0.86 O ATOM 517 CB VAL A 35 -5.660 0.018 -5.992 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.308 0.063 -5.277 1.00 0.80 C ATOM 519 CG2 VAL A 35 -6.618 -0.915 -5.256 1.00 0.79 C ATOM 0 H VAL A 35 -7.637 0.492 -7.451 1.00 0.77 H new ATOM 0 HA VAL A 35 -6.474 1.850 -5.148 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.484 -0.366 -6.997 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -3.904 -0.946 -5.199 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -3.617 0.688 -5.844 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -4.438 0.480 -4.278 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.165 -1.902 -5.162 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -6.825 -0.515 -4.264 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.550 -0.996 -5.816 1.00 0.79 H new ATOM 529 N MET A 36 -4.986 1.914 -8.084 1.00 0.77 N ATOM 530 CA MET A 36 -4.069 2.607 -9.018 1.00 0.81 C ATOM 531 C MET A 36 -4.465 4.033 -9.363 1.00 0.80 C ATOM 532 O MET A 36 -3.608 4.892 -9.511 1.00 0.87 O ATOM 533 CB MET A 36 -4.048 1.879 -10.361 1.00 0.87 C ATOM 534 CG MET A 36 -5.350 1.214 -10.685 1.00 0.86 C ATOM 535 SD MET A 36 -5.229 0.009 -12.024 1.00 1.10 S ATOM 536 CE MET A 36 -5.346 1.068 -13.460 1.00 1.82 C ATOM 0 H MET A 36 -5.345 1.037 -8.461 1.00 0.77 H new ATOM 0 HA MET A 36 -3.114 2.614 -8.493 1.00 0.81 H new ATOM 0 HB2 MET A 36 -3.803 2.590 -11.150 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.256 1.130 -10.350 1.00 0.87 H new ATOM 0 HG2 MET A 36 -5.727 0.716 -9.792 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.080 1.976 -10.957 1.00 0.86 H new ATOM 0 HE1 MET A 36 -5.675 0.482 -14.318 1.00 1.82 H new ATOM 0 HE2 MET A 36 -6.065 1.864 -13.267 1.00 1.82 H new ATOM 0 HE3 MET A 36 -4.370 1.504 -13.671 1.00 1.82 H new ATOM 546 N ARG A 37 -5.768 4.269 -9.493 1.00 0.79 N ATOM 547 CA ARG A 37 -6.284 5.558 -9.954 1.00 0.85 C ATOM 548 C ARG A 37 -5.614 6.785 -9.317 1.00 0.94 C ATOM 549 O ARG A 37 -5.125 7.683 -10.009 1.00 1.01 O ATOM 550 CB ARG A 37 -7.807 5.671 -9.753 1.00 0.96 C ATOM 551 CG ARG A 37 -8.335 5.159 -8.411 1.00 1.49 C ATOM 552 CD ARG A 37 -9.830 5.411 -8.257 1.00 1.68 C ATOM 553 NE ARG A 37 -10.636 4.543 -9.127 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.972 4.597 -9.232 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.684 5.474 -8.527 1.00 2.47 N ATOM 556 NH2 ARG A 37 -12.598 3.764 -10.052 1.00 3.94 N ATOM 0 H ARG A 37 -6.491 3.580 -9.284 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.037 5.569 -11.016 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.093 6.717 -9.861 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.303 5.121 -10.552 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -8.136 4.091 -8.326 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -7.798 5.649 -7.599 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.118 5.249 -7.218 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -10.046 6.454 -8.488 1.00 1.68 H new ATOM 0 HE ARG A 37 -10.144 3.850 -9.691 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.214 6.120 -7.893 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.699 5.499 -8.621 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -12.064 3.088 -10.598 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -13.614 3.799 -10.137 1.00 3.94 H new ATOM 570 N SER A 38 -5.619 6.779 -7.998 1.00 1.00 N ATOM 571 CA SER A 38 -5.063 7.852 -7.145 1.00 1.16 C ATOM 572 C SER A 38 -3.649 8.346 -7.511 1.00 1.17 C ATOM 573 O SER A 38 -3.262 9.439 -7.085 1.00 1.33 O ATOM 574 CB SER A 38 -5.079 7.404 -5.682 1.00 1.37 C ATOM 575 OG SER A 38 -4.372 6.188 -5.510 1.00 1.82 O ATOM 0 H SER A 38 -6.019 6.011 -7.459 1.00 1.00 H new ATOM 0 HA SER A 38 -5.714 8.708 -7.319 1.00 1.16 H new ATOM 0 HB2 SER A 38 -4.634 8.178 -5.057 1.00 1.37 H new ATOM 0 HB3 SER A 38 -6.109 7.279 -5.349 1.00 1.37 H new ATOM 0 HG SER A 38 -4.856 5.462 -5.957 1.00 1.82 H new ATOM 581 N LEU A 39 -2.885 7.569 -8.286 1.00 1.11 N ATOM 582 CA LEU A 39 -1.539 7.971 -8.671 1.00 1.26 C ATOM 583 C LEU A 39 -1.514 8.802 -9.970 1.00 1.23 C ATOM 584 O LEU A 39 -0.455 9.300 -10.367 1.00 1.39 O ATOM 585 CB LEU A 39 -0.587 6.753 -8.747 1.00 1.42 C ATOM 586 CG LEU A 39 -1.057 5.505 -9.519 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.136 5.752 -11.015 1.00 1.18 C ATOM 588 CD2 LEU A 39 -0.139 4.328 -9.232 1.00 2.07 C ATOM 0 H LEU A 39 -3.178 6.664 -8.654 1.00 1.11 H new ATOM 0 HA LEU A 39 -1.171 8.629 -7.884 1.00 1.26 H new ATOM 0 HB2 LEU A 39 0.348 7.089 -9.196 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -0.358 6.446 -7.727 1.00 1.42 H new ATOM 0 HG LEU A 39 -2.064 5.272 -9.172 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.472 4.844 -11.516 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.842 6.558 -11.214 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.151 6.031 -11.390 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -0.484 3.454 -9.785 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.877 4.575 -9.541 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -0.150 4.110 -8.164 1.00 2.07 H new ATOM 600 N GLY A 40 -2.683 8.953 -10.616 1.00 1.12 N ATOM 601 CA GLY A 40 -2.774 9.749 -11.838 1.00 1.21 C ATOM 602 C GLY A 40 -2.995 8.946 -13.112 1.00 1.24 C ATOM 603 O GLY A 40 -2.838 9.487 -14.211 1.00 1.48 O ATOM 0 H GLY A 40 -3.564 8.538 -10.312 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -3.591 10.462 -11.729 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -1.857 10.328 -11.946 1.00 1.21 H new ATOM 607 N GLN A 41 -3.354 7.671 -12.973 1.00 1.05 N ATOM 608 CA GLN A 41 -3.598 6.808 -14.133 1.00 1.08 C ATOM 609 C GLN A 41 -5.063 6.376 -14.196 1.00 1.03 C ATOM 610 O GLN A 41 -5.626 5.918 -13.197 1.00 1.04 O ATOM 611 CB GLN A 41 -2.680 5.578 -14.089 1.00 1.08 C ATOM 612 CG GLN A 41 -2.249 5.064 -15.462 1.00 1.30 C ATOM 613 CD GLN A 41 -1.150 5.902 -16.093 1.00 2.18 C ATOM 614 OE1 GLN A 41 0.037 5.639 -15.897 1.00 2.69 O ATOM 615 NE2 GLN A 41 -1.542 6.917 -16.855 1.00 3.01 N ATOM 0 H GLN A 41 -3.483 7.211 -12.072 1.00 1.05 H new ATOM 0 HA GLN A 41 -3.374 7.380 -15.033 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -1.790 5.825 -13.511 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.193 4.776 -13.558 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.903 4.035 -15.366 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -3.113 5.049 -16.126 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -2.537 7.099 -16.990 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -0.848 7.515 -17.305 1.00 3.01 H new ATOM 624 N ASN A 42 -5.667 6.531 -15.383 1.00 1.26 N ATOM 625 CA ASN A 42 -7.069 6.164 -15.604 1.00 1.34 C ATOM 626 C ASN A 42 -7.224 5.390 -16.938 1.00 0.89 C ATOM 627 O ASN A 42 -7.768 5.923 -17.913 1.00 1.50 O ATOM 628 CB ASN A 42 -7.957 7.423 -15.582 1.00 2.22 C ATOM 629 CG ASN A 42 -9.406 7.115 -15.244 1.00 3.03 C ATOM 630 OD1 ASN A 42 -9.798 7.119 -14.077 1.00 3.77 O ATOM 631 ND2 ASN A 42 -10.209 6.848 -16.268 1.00 3.37 N ATOM 0 H ASN A 42 -5.201 6.910 -16.207 1.00 1.26 H new ATOM 0 HA ASN A 42 -7.393 5.506 -14.798 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -7.561 8.129 -14.852 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -7.912 7.911 -16.555 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -11.193 6.635 -16.103 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -9.842 6.856 -17.220 1.00 3.37 H new ATOM 638 N PRO A 43 -6.726 4.117 -17.005 1.00 1.06 N ATOM 639 CA PRO A 43 -6.815 3.275 -18.215 1.00 1.66 C ATOM 640 C PRO A 43 -8.205 2.640 -18.404 1.00 1.29 C ATOM 641 O PRO A 43 -9.141 2.949 -17.661 1.00 1.26 O ATOM 642 CB PRO A 43 -5.743 2.186 -17.974 1.00 2.73 C ATOM 643 CG PRO A 43 -5.034 2.572 -16.716 1.00 2.76 C ATOM 644 CD PRO A 43 -6.007 3.401 -15.936 1.00 1.85 C ATOM 0 HA PRO A 43 -6.656 3.857 -19.123 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -6.202 1.202 -17.876 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -5.048 2.131 -18.812 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -4.731 1.690 -16.152 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -4.128 3.136 -16.936 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.677 2.786 -15.335 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.504 4.086 -15.253 1.00 1.85 H new ATOM 652 N THR A 44 -8.320 1.752 -19.409 1.00 1.26 N ATOM 653 CA THR A 44 -9.562 1.053 -19.746 1.00 1.00 C ATOM 654 C THR A 44 -10.145 0.246 -18.573 1.00 0.85 C ATOM 655 O THR A 44 -9.452 -0.041 -17.592 1.00 0.89 O ATOM 656 CB THR A 44 -9.325 0.094 -20.936 1.00 1.17 C ATOM 657 OG1 THR A 44 -8.157 0.481 -21.674 1.00 1.51 O ATOM 658 CG2 THR A 44 -10.514 0.095 -21.865 1.00 1.33 C ATOM 0 H THR A 44 -7.539 1.500 -20.015 1.00 1.26 H new ATOM 0 HA THR A 44 -10.284 1.827 -20.005 1.00 1.00 H new ATOM 0 HB THR A 44 -9.182 -0.908 -20.530 1.00 1.17 H new ATOM 0 HG1 THR A 44 -8.022 -0.138 -22.422 1.00 1.51 H new ATOM 0 HG21 THR A 44 -10.327 -0.586 -22.696 1.00 1.33 H new ATOM 0 HG22 THR A 44 -11.401 -0.230 -21.321 1.00 1.33 H new ATOM 0 HG23 THR A 44 -10.674 1.102 -22.250 1.00 1.33 H new ATOM 666 N GLU A 45 -11.434 -0.106 -18.709 1.00 0.76 N ATOM 667 CA GLU A 45 -12.171 -0.887 -17.703 1.00 0.72 C ATOM 668 C GLU A 45 -11.884 -2.372 -17.874 1.00 0.71 C ATOM 669 O GLU A 45 -12.123 -3.175 -16.971 1.00 0.70 O ATOM 670 CB GLU A 45 -13.678 -0.620 -17.792 1.00 0.79 C ATOM 671 CG GLU A 45 -14.091 0.754 -17.285 1.00 0.85 C ATOM 672 CD GLU A 45 -15.586 0.985 -17.380 1.00 1.41 C ATOM 673 OE1 GLU A 45 -16.300 0.661 -16.408 1.00 2.03 O ATOM 674 OE2 GLU A 45 -16.043 1.491 -18.427 1.00 1.97 O ATOM 0 H GLU A 45 -11.996 0.144 -19.523 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.832 -0.574 -16.716 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -13.995 -0.724 -18.830 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -14.207 -1.382 -17.219 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.775 0.864 -16.248 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -13.571 1.521 -17.860 1.00 0.85 H new ATOM 681 N ALA A 46 -11.439 -2.732 -19.070 1.00 0.75 N ATOM 682 CA ALA A 46 -11.028 -4.081 -19.364 1.00 0.78 C ATOM 683 C ALA A 46 -9.565 -4.227 -18.998 1.00 0.76 C ATOM 684 O ALA A 46 -9.063 -5.338 -18.891 1.00 0.77 O ATOM 685 CB ALA A 46 -11.282 -4.437 -20.822 1.00 0.90 C ATOM 0 H ALA A 46 -11.356 -2.090 -19.858 1.00 0.75 H new ATOM 0 HA ALA A 46 -11.620 -4.780 -18.773 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -10.960 -5.462 -21.008 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -12.346 -4.346 -21.039 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -10.722 -3.758 -21.465 1.00 0.90 H new ATOM 691 N GLU A 47 -8.891 -3.069 -18.817 1.00 0.77 N ATOM 692 CA GLU A 47 -7.469 -3.036 -18.425 1.00 0.81 C ATOM 693 C GLU A 47 -7.235 -3.639 -17.045 1.00 0.68 C ATOM 694 O GLU A 47 -6.114 -4.010 -16.726 1.00 0.62 O ATOM 695 CB GLU A 47 -6.912 -1.610 -18.486 1.00 0.95 C ATOM 696 CG GLU A 47 -6.338 -1.231 -19.847 1.00 1.30 C ATOM 697 CD GLU A 47 -4.947 -1.795 -20.086 1.00 1.55 C ATOM 698 OE1 GLU A 47 -4.836 -3.010 -20.351 1.00 2.16 O ATOM 699 OE2 GLU A 47 -3.972 -1.019 -20.011 1.00 2.13 O ATOM 0 H GLU A 47 -9.311 -2.147 -18.937 1.00 0.77 H new ATOM 0 HA GLU A 47 -6.932 -3.652 -19.146 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -7.706 -0.909 -18.229 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -6.134 -1.501 -17.731 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -7.008 -1.588 -20.629 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -6.302 -0.145 -19.930 1.00 1.30 H new ATOM 706 N LEU A 48 -8.293 -3.714 -16.238 1.00 0.66 N ATOM 707 CA LEU A 48 -8.237 -4.332 -14.911 1.00 0.59 C ATOM 708 C LEU A 48 -8.506 -5.817 -15.083 1.00 0.55 C ATOM 709 O LEU A 48 -7.841 -6.651 -14.462 1.00 0.56 O ATOM 710 CB LEU A 48 -9.235 -3.669 -13.976 1.00 0.61 C ATOM 711 CG LEU A 48 -9.580 -2.223 -14.314 1.00 0.76 C ATOM 712 CD1 LEU A 48 -11.011 -2.147 -14.709 1.00 0.87 C ATOM 713 CD2 LEU A 48 -9.293 -1.301 -13.161 1.00 1.24 C ATOM 0 H LEU A 48 -9.213 -3.349 -16.484 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.256 -4.197 -14.456 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.154 -4.255 -13.977 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.837 -3.703 -12.962 1.00 0.61 H new ATOM 0 HG LEU A 48 -8.953 -1.896 -15.144 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.267 -1.116 -14.953 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -11.182 -2.779 -15.581 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.635 -2.490 -13.884 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -9.551 -0.279 -13.439 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -9.886 -1.603 -12.297 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -8.234 -1.352 -12.910 1.00 1.24 H new ATOM 725 N GLN A 49 -9.503 -6.143 -15.939 1.00 0.57 N ATOM 726 CA GLN A 49 -9.780 -7.534 -16.310 1.00 0.60 C ATOM 727 C GLN A 49 -8.562 -8.054 -17.085 1.00 0.59 C ATOM 728 O GLN A 49 -8.317 -9.259 -17.169 1.00 0.61 O ATOM 729 CB GLN A 49 -11.042 -7.633 -17.177 1.00 0.67 C ATOM 730 CG GLN A 49 -12.342 -7.417 -16.415 1.00 0.80 C ATOM 731 CD GLN A 49 -13.505 -7.092 -17.331 1.00 1.03 C ATOM 732 OE1 GLN A 49 -14.211 -7.986 -17.798 1.00 1.67 O ATOM 733 NE2 GLN A 49 -13.711 -5.806 -17.593 1.00 1.52 N ATOM 0 H GLN A 49 -10.120 -5.460 -16.378 1.00 0.57 H new ATOM 0 HA GLN A 49 -9.955 -8.131 -15.415 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -10.977 -6.897 -17.978 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -11.069 -8.616 -17.648 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -12.576 -8.313 -15.840 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -12.209 -6.605 -15.700 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -13.101 -5.098 -17.184 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -14.479 -5.526 -18.203 1.00 1.52 H new ATOM 742 N ASP A 50 -7.811 -7.081 -17.645 1.00 0.58 N ATOM 743 CA ASP A 50 -6.575 -7.324 -18.372 1.00 0.57 C ATOM 744 C ASP A 50 -5.412 -7.338 -17.381 1.00 0.49 C ATOM 745 O ASP A 50 -4.505 -8.165 -17.508 1.00 0.48 O ATOM 746 CB ASP A 50 -6.332 -6.254 -19.440 1.00 0.63 C ATOM 747 CG ASP A 50 -5.620 -6.804 -20.661 1.00 1.03 C ATOM 748 OD1 ASP A 50 -4.371 -6.782 -20.681 1.00 1.83 O ATOM 749 OD2 ASP A 50 -6.311 -7.257 -21.598 1.00 1.48 O ATOM 0 H ASP A 50 -8.062 -6.094 -17.596 1.00 0.58 H new ATOM 0 HA ASP A 50 -6.654 -8.286 -18.878 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -7.287 -5.824 -19.743 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -5.740 -5.445 -19.012 1.00 0.63 H new ATOM 754 N MET A 51 -5.431 -6.405 -16.385 1.00 0.45 N ATOM 755 CA MET A 51 -4.356 -6.386 -15.356 1.00 0.41 C ATOM 756 C MET A 51 -4.364 -7.679 -14.534 1.00 0.39 C ATOM 757 O MET A 51 -3.310 -8.128 -14.075 1.00 0.38 O ATOM 758 CB MET A 51 -4.398 -5.163 -14.409 1.00 0.41 C ATOM 759 CG MET A 51 -3.876 -3.880 -15.038 1.00 0.48 C ATOM 760 SD MET A 51 -2.129 -3.979 -15.476 1.00 1.31 S ATOM 761 CE MET A 51 -1.879 -2.376 -16.235 1.00 1.31 C ATOM 0 H MET A 51 -6.147 -5.687 -16.276 1.00 0.45 H new ATOM 0 HA MET A 51 -3.426 -6.304 -15.919 1.00 0.41 H new ATOM 0 HB2 MET A 51 -5.425 -5.004 -14.082 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.810 -5.385 -13.518 1.00 0.41 H new ATOM 0 HG2 MET A 51 -4.458 -3.656 -15.932 1.00 0.48 H new ATOM 0 HG3 MET A 51 -4.026 -3.053 -14.344 1.00 0.48 H new ATOM 0 HE1 MET A 51 -0.840 -2.072 -16.110 1.00 1.31 H new ATOM 0 HE2 MET A 51 -2.114 -2.436 -17.298 1.00 1.31 H new ATOM 0 HE3 MET A 51 -2.531 -1.643 -15.760 1.00 1.31 H new ATOM 771 N ILE A 52 -5.558 -8.270 -14.352 1.00 0.41 N ATOM 772 CA ILE A 52 -5.688 -9.534 -13.621 1.00 0.42 C ATOM 773 C ILE A 52 -5.473 -10.746 -14.555 1.00 0.46 C ATOM 774 O ILE A 52 -5.260 -11.861 -14.088 1.00 0.49 O ATOM 775 CB ILE A 52 -7.046 -9.678 -12.889 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.300 -8.451 -11.991 1.00 0.45 C ATOM 777 CG2 ILE A 52 -7.073 -10.963 -12.086 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.797 -8.718 -10.560 1.00 0.48 C ATOM 0 H ILE A 52 -6.439 -7.892 -14.700 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.907 -9.516 -12.861 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.846 -9.725 -13.627 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.372 -7.882 -11.926 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -8.031 -7.813 -12.489 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -8.032 -11.053 -11.576 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.936 -11.813 -12.755 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -6.270 -10.948 -11.349 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.934 -7.770 -10.040 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.747 -9.252 -10.598 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -7.063 -9.322 -10.027 1.00 0.48 H new ATOM 790 N ASN A 53 -5.506 -10.507 -15.870 1.00 0.49 N ATOM 791 CA ASN A 53 -5.361 -11.549 -16.880 1.00 0.56 C ATOM 792 C ASN A 53 -3.967 -12.161 -16.886 1.00 0.58 C ATOM 793 O ASN A 53 -3.811 -13.382 -16.844 1.00 0.65 O ATOM 794 CB ASN A 53 -5.609 -10.902 -18.218 1.00 0.58 C ATOM 795 CG ASN A 53 -6.600 -11.658 -19.082 1.00 0.65 C ATOM 796 OD1 ASN A 53 -6.220 -12.532 -19.862 1.00 1.27 O ATOM 797 ND2 ASN A 53 -7.878 -11.326 -18.948 1.00 1.35 N ATOM 0 H ASN A 53 -5.636 -9.574 -16.262 1.00 0.49 H new ATOM 0 HA ASN A 53 -6.066 -12.352 -16.664 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -5.977 -9.888 -18.060 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -4.663 -10.818 -18.753 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -8.589 -11.801 -19.503 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -8.149 -10.596 -18.289 1.00 1.35 H new ATOM 804 N GLU A 54 -2.966 -11.283 -16.960 1.00 0.55 N ATOM 805 CA GLU A 54 -1.556 -11.706 -16.983 1.00 0.59 C ATOM 806 C GLU A 54 -1.038 -12.119 -15.614 1.00 0.57 C ATOM 807 O GLU A 54 -0.087 -12.902 -15.520 1.00 0.62 O ATOM 808 CB GLU A 54 -0.662 -10.617 -17.587 1.00 0.61 C ATOM 809 CG GLU A 54 -0.821 -10.456 -19.092 1.00 0.79 C ATOM 810 CD GLU A 54 0.078 -9.375 -19.660 1.00 1.15 C ATOM 811 OE1 GLU A 54 1.222 -9.695 -20.043 1.00 1.78 O ATOM 812 OE2 GLU A 54 -0.364 -8.208 -19.722 1.00 1.82 O ATOM 0 H GLU A 54 -3.101 -10.273 -17.005 1.00 0.55 H new ATOM 0 HA GLU A 54 -1.515 -12.591 -17.619 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -0.887 -9.666 -17.104 1.00 0.61 H new ATOM 0 HB3 GLU A 54 0.379 -10.850 -17.364 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -0.597 -11.404 -19.581 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -1.860 -10.217 -19.321 1.00 0.79 H new ATOM 819 N VAL A 55 -1.658 -11.597 -14.571 1.00 0.50 N ATOM 820 CA VAL A 55 -1.289 -11.955 -13.208 1.00 0.48 C ATOM 821 C VAL A 55 -2.466 -12.744 -12.620 1.00 0.48 C ATOM 822 O VAL A 55 -2.751 -12.697 -11.421 1.00 0.45 O ATOM 823 CB VAL A 55 -0.939 -10.705 -12.336 1.00 0.44 C ATOM 824 CG1 VAL A 55 -0.030 -11.097 -11.175 1.00 0.47 C ATOM 825 CG2 VAL A 55 -0.271 -9.607 -13.163 1.00 0.48 C ATOM 0 H VAL A 55 -2.420 -10.923 -14.639 1.00 0.50 H new ATOM 0 HA VAL A 55 -0.382 -12.559 -13.214 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.878 -10.313 -11.944 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.202 -10.214 -10.580 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.535 -11.833 -10.550 1.00 0.47 H new ATOM 0 HG13 VAL A 55 0.894 -11.525 -11.565 1.00 0.47 H new ATOM 0 HG21 VAL A 55 -0.043 -8.756 -12.521 1.00 0.48 H new ATOM 0 HG22 VAL A 55 0.652 -9.990 -13.599 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.944 -9.291 -13.960 1.00 0.48 H new ATOM 835 N ASP A 56 -3.114 -13.516 -13.515 1.00 0.55 N ATOM 836 CA ASP A 56 -4.312 -14.315 -13.189 1.00 0.60 C ATOM 837 C ASP A 56 -4.114 -15.390 -12.108 1.00 0.61 C ATOM 838 O ASP A 56 -3.377 -16.364 -12.300 1.00 0.65 O ATOM 839 CB ASP A 56 -4.886 -14.954 -14.472 1.00 0.75 C ATOM 840 CG ASP A 56 -3.910 -15.881 -15.192 1.00 0.98 C ATOM 841 OD1 ASP A 56 -4.250 -17.068 -15.382 1.00 1.58 O ATOM 842 OD2 ASP A 56 -2.809 -15.419 -15.559 1.00 1.87 O ATOM 0 H ASP A 56 -2.820 -13.603 -14.488 1.00 0.55 H new ATOM 0 HA ASP A 56 -5.017 -13.605 -12.756 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -5.784 -15.516 -14.216 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -5.191 -14.162 -15.156 1.00 0.75 H new ATOM 847 N ALA A 57 -4.780 -15.173 -10.964 1.00 0.59 N ATOM 848 CA ALA A 57 -4.780 -16.130 -9.853 1.00 0.62 C ATOM 849 C ALA A 57 -5.918 -17.120 -10.056 1.00 0.68 C ATOM 850 O ALA A 57 -5.742 -18.339 -9.976 1.00 0.74 O ATOM 851 CB ALA A 57 -4.948 -15.412 -8.521 1.00 0.60 C ATOM 0 H ALA A 57 -5.330 -14.333 -10.786 1.00 0.59 H new ATOM 0 HA ALA A 57 -3.826 -16.657 -9.835 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.945 -16.142 -7.711 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -4.126 -14.710 -8.380 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.893 -14.869 -8.517 1.00 0.60 H new ATOM 857 N ASP A 58 -7.081 -16.538 -10.321 1.00 0.68 N ATOM 858 CA ASP A 58 -8.307 -17.268 -10.594 1.00 0.75 C ATOM 859 C ASP A 58 -8.747 -16.988 -12.041 1.00 0.75 C ATOM 860 O ASP A 58 -9.483 -17.771 -12.648 1.00 0.83 O ATOM 861 CB ASP A 58 -9.361 -16.851 -9.552 1.00 0.77 C ATOM 862 CG ASP A 58 -10.778 -17.306 -9.870 1.00 0.90 C ATOM 863 OD1 ASP A 58 -11.020 -18.532 -9.882 1.00 1.36 O ATOM 864 OD2 ASP A 58 -11.643 -16.436 -10.101 1.00 1.62 O ATOM 0 H ASP A 58 -7.198 -15.525 -10.352 1.00 0.68 H new ATOM 0 HA ASP A 58 -8.164 -18.345 -10.508 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -9.073 -17.254 -8.581 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -9.354 -15.765 -9.461 1.00 0.77 H new ATOM 869 N GLY A 59 -8.269 -15.849 -12.563 1.00 0.68 N ATOM 870 CA GLY A 59 -8.504 -15.429 -13.937 1.00 0.68 C ATOM 871 C GLY A 59 -9.922 -15.058 -14.271 1.00 0.72 C ATOM 872 O GLY A 59 -10.263 -14.909 -15.449 1.00 0.75 O ATOM 0 H GLY A 59 -7.702 -15.190 -12.029 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -7.864 -14.573 -14.151 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -8.192 -16.234 -14.602 1.00 0.68 H new ATOM 876 N ASN A 60 -10.748 -14.910 -13.245 1.00 0.73 N ATOM 877 CA ASN A 60 -12.102 -14.465 -13.432 1.00 0.78 C ATOM 878 C ASN A 60 -12.112 -12.973 -13.161 1.00 0.72 C ATOM 879 O ASN A 60 -13.155 -12.342 -12.950 1.00 0.77 O ATOM 880 CB ASN A 60 -13.078 -15.223 -12.522 1.00 0.86 C ATOM 881 CG ASN A 60 -13.307 -16.652 -12.978 1.00 1.28 C ATOM 882 OD1 ASN A 60 -14.218 -16.928 -13.758 1.00 1.86 O ATOM 883 ND2 ASN A 60 -12.477 -17.568 -12.494 1.00 2.03 N ATOM 0 H ASN A 60 -10.493 -15.095 -12.275 1.00 0.73 H new ATOM 0 HA ASN A 60 -12.439 -14.668 -14.448 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -12.691 -15.228 -11.503 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -14.032 -14.695 -12.498 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -12.581 -18.545 -12.767 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -11.735 -17.294 -11.849 1.00 2.03 H new ATOM 890 N GLY A 61 -10.886 -12.432 -13.206 1.00 0.64 N ATOM 891 CA GLY A 61 -10.655 -11.033 -12.948 1.00 0.59 C ATOM 892 C GLY A 61 -10.382 -10.797 -11.485 1.00 0.56 C ATOM 893 O GLY A 61 -10.650 -9.726 -10.937 1.00 0.56 O ATOM 0 H GLY A 61 -10.042 -12.962 -13.422 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.810 -10.684 -13.541 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -11.524 -10.453 -13.259 1.00 0.59 H new ATOM 897 N THR A 62 -9.867 -11.840 -10.863 1.00 0.56 N ATOM 898 CA THR A 62 -9.553 -11.831 -9.452 1.00 0.54 C ATOM 899 C THR A 62 -8.141 -12.288 -9.179 1.00 0.50 C ATOM 900 O THR A 62 -7.632 -13.204 -9.833 1.00 0.51 O ATOM 901 CB THR A 62 -10.487 -12.729 -8.639 1.00 0.59 C ATOM 902 OG1 THR A 62 -11.154 -13.679 -9.483 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.504 -11.898 -7.878 1.00 0.62 C ATOM 0 H THR A 62 -9.654 -12.722 -11.328 1.00 0.56 H new ATOM 0 HA THR A 62 -9.678 -10.792 -9.146 1.00 0.54 H new ATOM 0 HB THR A 62 -9.878 -13.278 -7.921 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.744 -14.242 -8.939 1.00 0.65 H new ATOM 0 HG21 THR A 62 -12.158 -12.557 -7.307 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.986 -11.222 -7.198 1.00 0.62 H new ATOM 0 HG23 THR A 62 -12.100 -11.317 -8.582 1.00 0.62 H new ATOM 911 N ILE A 63 -7.519 -11.636 -8.205 1.00 0.47 N ATOM 912 CA ILE A 63 -6.186 -11.964 -7.792 1.00 0.45 C ATOM 913 C ILE A 63 -6.178 -12.213 -6.283 1.00 0.46 C ATOM 914 O ILE A 63 -6.852 -11.522 -5.513 1.00 0.48 O ATOM 915 CB ILE A 63 -5.187 -10.866 -8.216 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.944 -11.467 -8.873 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.796 -10.005 -7.042 1.00 0.43 C ATOM 918 CD1 ILE A 63 -3.055 -10.428 -9.528 1.00 0.42 C ATOM 0 H ILE A 63 -7.937 -10.864 -7.686 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.860 -12.877 -8.290 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.689 -10.237 -8.952 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.368 -12.007 -8.121 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.253 -12.196 -9.622 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.092 -9.240 -7.370 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.684 -9.527 -6.629 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.329 -10.624 -6.276 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -2.191 -10.919 -9.976 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.616 -9.905 -10.302 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.718 -9.713 -8.778 1.00 0.42 H new ATOM 930 N ASP A 64 -5.436 -13.220 -5.904 1.00 0.48 N ATOM 931 CA ASP A 64 -5.309 -13.647 -4.519 1.00 0.51 C ATOM 932 C ASP A 64 -3.967 -13.195 -3.927 1.00 0.54 C ATOM 933 O ASP A 64 -3.247 -12.410 -4.547 1.00 0.54 O ATOM 934 CB ASP A 64 -5.456 -15.167 -4.468 1.00 0.57 C ATOM 935 CG ASP A 64 -6.907 -15.610 -4.453 1.00 0.65 C ATOM 936 OD1 ASP A 64 -7.478 -15.811 -5.546 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.471 -15.756 -3.349 1.00 1.33 O ATOM 0 H ASP A 64 -4.889 -13.783 -6.555 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.091 -13.186 -3.916 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.954 -15.606 -5.330 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.954 -15.548 -3.579 1.00 0.57 H new ATOM 942 N PHE A 65 -3.635 -13.705 -2.727 1.00 0.62 N ATOM 943 CA PHE A 65 -2.386 -13.354 -2.030 1.00 0.73 C ATOM 944 C PHE A 65 -1.102 -13.904 -2.715 1.00 0.78 C ATOM 945 O PHE A 65 -0.075 -13.225 -2.659 1.00 0.86 O ATOM 946 CB PHE A 65 -2.440 -13.793 -0.549 1.00 0.82 C ATOM 947 CG PHE A 65 -2.818 -15.236 -0.314 1.00 0.82 C ATOM 948 CD1 PHE A 65 -4.149 -15.623 -0.287 1.00 1.39 C ATOM 949 CD2 PHE A 65 -1.840 -16.198 -0.118 1.00 1.51 C ATOM 950 CE1 PHE A 65 -4.497 -16.943 -0.069 1.00 1.43 C ATOM 951 CE2 PHE A 65 -2.182 -17.519 0.100 1.00 1.52 C ATOM 952 CZ PHE A 65 -3.512 -17.892 0.124 1.00 0.90 C ATOM 0 H PHE A 65 -4.220 -14.367 -2.217 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.314 -12.268 -2.085 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -1.464 -13.613 -0.099 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.155 -13.158 -0.025 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -4.923 -14.885 -0.438 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -0.799 -15.912 -0.136 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -5.537 -17.232 -0.050 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -1.410 -18.259 0.251 1.00 1.52 H new ATOM 0 HZ PHE A 65 -3.781 -18.924 0.293 1.00 0.90 H new ATOM 962 N PRO A 66 -1.105 -15.120 -3.370 1.00 0.79 N ATOM 963 CA PRO A 66 0.109 -15.665 -4.028 1.00 0.89 C ATOM 964 C PRO A 66 0.532 -14.892 -5.286 1.00 0.79 C ATOM 965 O PRO A 66 1.727 -14.791 -5.575 1.00 0.82 O ATOM 966 CB PRO A 66 -0.284 -17.104 -4.403 1.00 0.98 C ATOM 967 CG PRO A 66 -1.537 -17.389 -3.650 1.00 0.91 C ATOM 968 CD PRO A 66 -2.232 -16.070 -3.514 1.00 0.75 C ATOM 0 HA PRO A 66 0.968 -15.595 -3.361 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -0.443 -17.199 -5.477 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.503 -17.808 -4.133 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -2.160 -18.108 -4.183 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -1.318 -17.820 -2.673 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.844 -15.843 -4.387 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -2.893 -16.048 -2.647 1.00 0.75 H new ATOM 976 N GLU A 67 -0.451 -14.361 -6.029 1.00 0.69 N ATOM 977 CA GLU A 67 -0.186 -13.607 -7.249 1.00 0.63 C ATOM 978 C GLU A 67 0.026 -12.115 -6.981 1.00 0.62 C ATOM 979 O GLU A 67 1.007 -11.541 -7.462 1.00 0.66 O ATOM 980 CB GLU A 67 -1.303 -13.822 -8.262 1.00 0.61 C ATOM 981 CG GLU A 67 -1.098 -15.031 -9.169 1.00 0.70 C ATOM 982 CD GLU A 67 -0.047 -14.803 -10.244 1.00 1.12 C ATOM 983 OE1 GLU A 67 -0.430 -14.569 -11.410 1.00 1.71 O ATOM 984 OE2 GLU A 67 1.157 -14.859 -9.918 1.00 1.94 O ATOM 0 H GLU A 67 -1.441 -14.445 -5.798 1.00 0.69 H new ATOM 0 HA GLU A 67 0.747 -13.987 -7.665 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -2.246 -13.938 -7.728 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.395 -12.929 -8.880 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -0.807 -15.888 -8.561 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -2.045 -15.285 -9.644 1.00 0.70 H new ATOM 991 N PHE A 68 -0.910 -11.491 -6.228 1.00 0.63 N ATOM 992 CA PHE A 68 -0.851 -10.060 -5.861 1.00 0.72 C ATOM 993 C PHE A 68 0.572 -9.530 -5.603 1.00 0.79 C ATOM 994 O PHE A 68 0.949 -8.485 -6.138 1.00 0.87 O ATOM 995 CB PHE A 68 -1.731 -9.816 -4.618 1.00 0.88 C ATOM 996 CG PHE A 68 -1.923 -8.364 -4.272 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.966 -7.643 -4.819 1.00 1.54 C ATOM 998 CD2 PHE A 68 -1.046 -7.722 -3.410 1.00 1.84 C ATOM 999 CE1 PHE A 68 -3.133 -6.311 -4.517 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -1.210 -6.387 -3.102 1.00 2.44 C ATOM 1001 CZ PHE A 68 -2.255 -5.681 -3.658 1.00 2.37 C ATOM 0 H PHE A 68 -1.731 -11.970 -5.857 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.224 -9.507 -6.723 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.708 -10.270 -4.784 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.283 -10.325 -3.764 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -3.658 -8.130 -5.491 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -0.226 -8.273 -2.975 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -3.952 -5.758 -4.953 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -0.522 -5.897 -2.428 1.00 2.44 H new ATOM 0 HZ PHE A 68 -2.387 -4.635 -3.422 1.00 2.37 H new ATOM 1011 N LEU A 69 1.344 -10.254 -4.798 1.00 0.81 N ATOM 1012 CA LEU A 69 2.698 -9.826 -4.431 1.00 0.89 C ATOM 1013 C LEU A 69 3.790 -10.244 -5.393 1.00 0.84 C ATOM 1014 O LEU A 69 4.895 -9.725 -5.302 1.00 0.89 O ATOM 1015 CB LEU A 69 3.093 -10.324 -3.059 1.00 0.99 C ATOM 1016 CG LEU A 69 2.441 -11.635 -2.634 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.834 -12.779 -3.561 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.825 -11.967 -1.212 1.00 1.14 C ATOM 0 H LEU A 69 1.058 -11.142 -4.385 1.00 0.81 H new ATOM 0 HA LEU A 69 2.626 -8.739 -4.457 1.00 0.89 H new ATOM 0 HB2 LEU A 69 4.175 -10.449 -3.033 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.843 -9.557 -2.325 1.00 0.99 H new ATOM 0 HG LEU A 69 1.360 -11.508 -2.697 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.352 -13.698 -3.229 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.516 -12.549 -4.578 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.916 -12.909 -3.540 1.00 0.92 H new ATOM 0 HD21 LEU A 69 2.354 -12.905 -0.918 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.908 -12.067 -1.141 1.00 1.14 H new ATOM 0 HD23 LEU A 69 2.490 -11.169 -0.549 1.00 1.14 H new ATOM 1030 N THR A 70 3.513 -11.207 -6.275 1.00 0.78 N ATOM 1031 CA THR A 70 4.518 -11.690 -7.246 1.00 0.78 C ATOM 1032 C THR A 70 5.214 -10.525 -7.960 1.00 0.80 C ATOM 1033 O THR A 70 6.307 -10.688 -8.505 1.00 0.79 O ATOM 1034 CB THR A 70 3.879 -12.672 -8.267 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.146 -13.683 -7.567 1.00 0.79 O ATOM 1036 CG2 THR A 70 4.926 -13.343 -9.155 1.00 0.88 C ATOM 0 H THR A 70 2.607 -11.671 -6.343 1.00 0.78 H new ATOM 0 HA THR A 70 5.280 -12.234 -6.688 1.00 0.78 H new ATOM 0 HB THR A 70 3.216 -12.090 -8.907 1.00 0.80 H new ATOM 0 HG1 THR A 70 2.877 -14.386 -8.195 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.432 -14.020 -9.852 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.471 -12.582 -9.713 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.623 -13.906 -8.534 1.00 0.88 H new ATOM 1044 N MET A 71 4.555 -9.367 -7.946 1.00 0.87 N ATOM 1045 CA MET A 71 5.098 -8.155 -8.515 1.00 0.96 C ATOM 1046 C MET A 71 5.935 -7.380 -7.496 1.00 0.97 C ATOM 1047 O MET A 71 6.893 -6.710 -7.885 1.00 1.00 O ATOM 1048 CB MET A 71 3.998 -7.281 -9.116 1.00 1.10 C ATOM 1049 CG MET A 71 3.389 -7.855 -10.387 1.00 1.15 C ATOM 1050 SD MET A 71 4.531 -7.839 -11.782 1.00 1.66 S ATOM 1051 CE MET A 71 3.506 -8.552 -13.066 1.00 1.68 C ATOM 0 H MET A 71 3.628 -9.253 -7.536 1.00 0.87 H new ATOM 0 HA MET A 71 5.765 -8.447 -9.326 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.210 -7.143 -8.376 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.407 -6.294 -9.333 1.00 1.10 H new ATOM 0 HG2 MET A 71 3.067 -8.879 -10.199 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.498 -7.284 -10.647 1.00 1.15 H new ATOM 0 HE1 MET A 71 4.073 -8.609 -13.995 1.00 1.68 H new ATOM 0 HE2 MET A 71 3.195 -9.553 -12.769 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.625 -7.928 -13.217 1.00 1.68 H new ATOM 1061 N MET A 72 5.573 -7.449 -6.192 1.00 0.99 N ATOM 1062 CA MET A 72 6.371 -6.780 -5.159 1.00 1.06 C ATOM 1063 C MET A 72 7.477 -7.737 -4.733 1.00 0.94 C ATOM 1064 O MET A 72 8.530 -7.329 -4.235 1.00 0.95 O ATOM 1065 CB MET A 72 5.502 -6.287 -3.982 1.00 1.23 C ATOM 1066 CG MET A 72 4.946 -7.376 -3.064 1.00 1.37 C ATOM 1067 SD MET A 72 6.085 -7.792 -1.729 1.00 2.19 S ATOM 1068 CE MET A 72 5.006 -8.690 -0.616 1.00 3.08 C ATOM 0 H MET A 72 4.754 -7.949 -5.846 1.00 0.99 H new ATOM 0 HA MET A 72 6.823 -5.873 -5.560 1.00 1.06 H new ATOM 0 HB2 MET A 72 6.095 -5.599 -3.380 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.666 -5.717 -4.386 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.999 -7.042 -2.640 1.00 1.37 H new ATOM 0 HG3 MET A 72 4.735 -8.270 -3.651 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.315 -8.511 0.414 1.00 3.08 H new ATOM 0 HE2 MET A 72 3.979 -8.350 -0.751 1.00 3.08 H new ATOM 0 HE3 MET A 72 5.066 -9.757 -0.832 1.00 3.08 H new ATOM 1078 N ALA A 73 7.187 -9.027 -4.951 1.00 0.86 N ATOM 1079 CA ALA A 73 8.131 -10.102 -4.737 1.00 0.79 C ATOM 1080 C ALA A 73 9.069 -10.119 -5.937 1.00 0.71 C ATOM 1081 O ALA A 73 10.142 -10.725 -5.892 1.00 0.68 O ATOM 1082 CB ALA A 73 7.420 -11.437 -4.579 1.00 0.80 C ATOM 0 H ALA A 73 6.277 -9.344 -5.285 1.00 0.86 H new ATOM 0 HA ALA A 73 8.690 -9.940 -3.815 1.00 0.79 H new ATOM 0 HB1 ALA A 73 8.156 -12.225 -4.420 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.746 -11.391 -3.723 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.847 -11.653 -5.481 1.00 0.80 H new ATOM 1088 N ARG A 74 8.625 -9.447 -7.038 1.00 0.72 N ATOM 1089 CA ARG A 74 9.400 -9.297 -8.218 1.00 0.71 C ATOM 1090 C ARG A 74 10.477 -8.258 -7.971 1.00 0.73 C ATOM 1091 O ARG A 74 11.622 -8.443 -8.374 1.00 0.68 O ATOM 1092 CB ARG A 74 8.462 -8.844 -9.333 1.00 0.83 C ATOM 1093 CG ARG A 74 9.146 -8.342 -10.579 1.00 0.91 C ATOM 1094 CD ARG A 74 9.587 -9.466 -11.510 1.00 1.12 C ATOM 1095 NE ARG A 74 10.100 -8.953 -12.785 1.00 1.47 N ATOM 1096 CZ ARG A 74 10.271 -9.691 -13.892 1.00 1.90 C ATOM 1097 NH1 ARG A 74 9.975 -10.990 -13.906 1.00 2.18 N ATOM 1098 NH2 ARG A 74 10.743 -9.122 -14.992 1.00 2.55 N ATOM 0 H ARG A 74 7.707 -9.006 -7.091 1.00 0.72 H new ATOM 0 HA ARG A 74 9.882 -10.234 -8.499 1.00 0.71 H new ATOM 0 HB2 ARG A 74 7.815 -9.678 -9.604 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.819 -8.053 -8.947 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.469 -7.677 -11.116 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.016 -7.750 -10.296 1.00 0.91 H new ATOM 0 HD2 ARG A 74 10.359 -10.060 -11.021 1.00 1.12 H new ATOM 0 HD3 ARG A 74 8.745 -10.132 -11.699 1.00 1.12 H new ATOM 0 HE ARG A 74 10.344 -7.964 -12.833 1.00 1.47 H new ATOM 0 HH11 ARG A 74 9.612 -11.439 -13.065 1.00 2.18 H new ATOM 0 HH12 ARG A 74 10.112 -11.535 -14.757 1.00 2.18 H new ATOM 0 HH21 ARG A 74 10.974 -8.128 -14.993 1.00 2.55 H new ATOM 0 HH22 ARG A 74 10.875 -9.678 -15.837 1.00 2.55 H new ATOM 1112 N LYS A 75 10.078 -7.141 -7.331 1.00 0.86 N ATOM 1113 CA LYS A 75 11.007 -6.083 -6.961 1.00 0.95 C ATOM 1114 C LYS A 75 12.142 -6.658 -6.102 1.00 0.90 C ATOM 1115 O LYS A 75 13.176 -6.021 -5.890 1.00 0.96 O ATOM 1116 CB LYS A 75 10.253 -4.982 -6.221 1.00 1.19 C ATOM 1117 CG LYS A 75 8.886 -4.716 -6.832 1.00 1.28 C ATOM 1118 CD LYS A 75 8.962 -3.854 -8.080 1.00 1.40 C ATOM 1119 CE LYS A 75 7.970 -2.698 -8.044 1.00 2.25 C ATOM 1120 NZ LYS A 75 6.557 -3.161 -8.163 1.00 2.99 N ATOM 0 H LYS A 75 9.111 -6.958 -7.063 1.00 0.86 H new ATOM 0 HA LYS A 75 11.453 -5.652 -7.858 1.00 0.95 H new ATOM 0 HB2 LYS A 75 10.134 -5.265 -5.175 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.842 -4.065 -6.238 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.412 -5.666 -7.079 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.251 -4.225 -6.094 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.973 -3.460 -8.186 1.00 1.40 H new ATOM 0 HD3 LYS A 75 8.767 -4.470 -8.957 1.00 1.40 H new ATOM 0 HE2 LYS A 75 8.092 -2.146 -7.112 1.00 2.25 H new ATOM 0 HE3 LYS A 75 8.193 -2.006 -8.856 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 5.919 -2.340 -8.134 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 6.432 -3.665 -9.064 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 6.334 -3.801 -7.374 1.00 2.99 H new ATOM 1134 N MET A 76 11.890 -7.883 -5.600 1.00 0.85 N ATOM 1135 CA MET A 76 12.838 -8.649 -4.812 1.00 0.93 C ATOM 1136 C MET A 76 13.781 -9.403 -5.750 1.00 0.83 C ATOM 1137 O MET A 76 14.990 -9.460 -5.505 1.00 0.93 O ATOM 1138 CB MET A 76 12.126 -9.653 -3.892 1.00 1.07 C ATOM 1139 CG MET A 76 10.984 -9.059 -3.089 1.00 0.96 C ATOM 1140 SD MET A 76 10.140 -10.283 -2.069 1.00 1.64 S ATOM 1141 CE MET A 76 9.028 -9.236 -1.134 1.00 2.37 C ATOM 0 H MET A 76 11.002 -8.364 -5.741 1.00 0.85 H new ATOM 0 HA MET A 76 13.399 -7.955 -4.186 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.741 -10.474 -4.497 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.856 -10.079 -3.204 1.00 1.07 H new ATOM 0 HG2 MET A 76 11.369 -8.264 -2.451 1.00 0.96 H new ATOM 0 HG3 MET A 76 10.266 -8.602 -3.770 1.00 0.96 H new ATOM 0 HE1 MET A 76 8.066 -9.736 -1.022 1.00 2.37 H new ATOM 0 HE2 MET A 76 9.453 -9.042 -0.149 1.00 2.37 H new ATOM 0 HE3 MET A 76 8.888 -8.292 -1.661 1.00 2.37 H new ATOM 1151 N LYS A 77 13.211 -9.985 -6.835 1.00 0.72 N ATOM 1152 CA LYS A 77 14.007 -10.717 -7.820 1.00 0.79 C ATOM 1153 C LYS A 77 14.624 -9.775 -8.877 1.00 0.78 C ATOM 1154 O LYS A 77 15.497 -10.181 -9.649 1.00 0.91 O ATOM 1155 CB LYS A 77 13.175 -11.848 -8.449 1.00 0.86 C ATOM 1156 CG LYS A 77 12.026 -11.428 -9.362 1.00 0.76 C ATOM 1157 CD LYS A 77 10.731 -12.147 -8.971 1.00 0.89 C ATOM 1158 CE LYS A 77 10.762 -13.645 -9.285 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.492 -14.319 -8.899 1.00 1.75 N ATOM 0 H LYS A 77 12.212 -9.956 -7.038 1.00 0.72 H new ATOM 0 HA LYS A 77 14.849 -11.178 -7.304 1.00 0.79 H new ATOM 0 HB2 LYS A 77 13.847 -12.487 -9.021 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.764 -12.457 -7.643 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.882 -10.349 -9.300 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.276 -11.657 -10.398 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.552 -12.008 -7.905 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.894 -11.688 -9.497 1.00 0.89 H new ATOM 0 HE2 LYS A 77 10.940 -13.789 -10.351 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.595 -14.110 -8.757 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.553 -15.332 -9.128 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.334 -14.204 -7.878 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 8.700 -13.893 -9.422 1.00 1.75 H new ATOM 1173 N ASP A 78 14.148 -8.524 -8.886 1.00 0.74 N ATOM 1174 CA ASP A 78 14.632 -7.483 -9.798 1.00 0.79 C ATOM 1175 C ASP A 78 15.166 -6.295 -8.999 1.00 0.77 C ATOM 1176 O ASP A 78 14.494 -5.809 -8.087 1.00 0.80 O ATOM 1177 CB ASP A 78 13.502 -7.018 -10.722 1.00 0.84 C ATOM 1178 CG ASP A 78 13.126 -8.064 -11.755 1.00 1.19 C ATOM 1179 OD1 ASP A 78 12.625 -9.137 -11.358 1.00 1.66 O ATOM 1180 OD2 ASP A 78 13.332 -7.809 -12.960 1.00 1.92 O ATOM 0 H ASP A 78 13.412 -8.205 -8.256 1.00 0.74 H new ATOM 0 HA ASP A 78 15.436 -7.899 -10.405 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.625 -6.773 -10.123 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.807 -6.103 -11.231 1.00 0.84 H new ATOM 1185 N THR A 79 16.374 -5.825 -9.348 1.00 0.79 N ATOM 1186 CA THR A 79 17.006 -4.703 -8.651 1.00 0.82 C ATOM 1187 C THR A 79 16.586 -3.351 -9.217 1.00 0.73 C ATOM 1188 O THR A 79 17.308 -2.350 -9.118 1.00 0.78 O ATOM 1189 CB THR A 79 18.547 -4.812 -8.624 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.053 -4.999 -9.951 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.006 -5.960 -7.731 1.00 1.15 C ATOM 0 H THR A 79 16.931 -6.209 -10.112 1.00 0.79 H new ATOM 0 HA THR A 79 16.647 -4.765 -7.624 1.00 0.82 H new ATOM 0 HB THR A 79 18.940 -3.882 -8.214 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.030 -5.065 -9.922 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.095 -6.010 -7.733 1.00 1.15 H new ATOM 0 HG22 THR A 79 18.653 -5.793 -6.713 1.00 1.15 H new ATOM 0 HG23 THR A 79 18.599 -6.899 -8.107 1.00 1.15 H new ATOM 1199 N ASP A 80 15.392 -3.343 -9.787 1.00 0.66 N ATOM 1200 CA ASP A 80 14.784 -2.141 -10.347 1.00 0.67 C ATOM 1201 C ASP A 80 14.076 -1.341 -9.238 1.00 0.66 C ATOM 1202 O ASP A 80 13.378 -0.357 -9.504 1.00 0.74 O ATOM 1203 CB ASP A 80 13.793 -2.511 -11.460 1.00 0.77 C ATOM 1204 CG ASP A 80 14.483 -3.033 -12.707 1.00 1.18 C ATOM 1205 OD1 ASP A 80 14.813 -2.214 -13.590 1.00 1.72 O ATOM 1206 OD2 ASP A 80 14.693 -4.261 -12.799 1.00 1.86 O ATOM 0 H ASP A 80 14.810 -4.176 -9.876 1.00 0.66 H new ATOM 0 HA ASP A 80 15.568 -1.520 -10.779 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.101 -3.267 -11.089 1.00 0.77 H new ATOM 0 HB3 ASP A 80 13.199 -1.635 -11.718 1.00 0.77 H new ATOM 1211 N SER A 81 14.305 -1.779 -7.987 1.00 0.67 N ATOM 1212 CA SER A 81 13.708 -1.181 -6.782 1.00 0.75 C ATOM 1213 C SER A 81 14.201 0.251 -6.487 1.00 0.68 C ATOM 1214 O SER A 81 13.578 0.962 -5.693 1.00 0.76 O ATOM 1215 CB SER A 81 14.008 -2.089 -5.584 1.00 0.92 C ATOM 1216 OG SER A 81 13.423 -1.595 -4.388 1.00 1.07 O ATOM 0 H SER A 81 14.918 -2.568 -7.783 1.00 0.67 H new ATOM 0 HA SER A 81 12.636 -1.099 -6.961 1.00 0.75 H new ATOM 0 HB2 SER A 81 13.632 -3.092 -5.785 1.00 0.92 H new ATOM 0 HB3 SER A 81 15.087 -2.173 -5.453 1.00 0.92 H new ATOM 0 HG SER A 81 13.303 -0.625 -4.459 1.00 1.07 H new ATOM 1222 N GLU A 82 15.307 0.667 -7.120 1.00 0.62 N ATOM 1223 CA GLU A 82 15.878 2.004 -6.893 1.00 0.63 C ATOM 1224 C GLU A 82 15.262 3.071 -7.813 1.00 0.57 C ATOM 1225 O GLU A 82 15.040 4.206 -7.381 1.00 0.58 O ATOM 1226 CB GLU A 82 17.401 1.965 -7.081 1.00 0.72 C ATOM 1227 CG GLU A 82 18.145 3.081 -6.354 1.00 0.78 C ATOM 1228 CD GLU A 82 19.644 3.023 -6.573 1.00 1.34 C ATOM 1229 OE1 GLU A 82 20.335 2.352 -5.777 1.00 1.65 O ATOM 1230 OE2 GLU A 82 20.128 3.647 -7.541 1.00 2.12 O ATOM 0 H GLU A 82 15.824 0.099 -7.792 1.00 0.62 H new ATOM 0 HA GLU A 82 15.639 2.285 -5.867 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.776 1.004 -6.729 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.627 2.025 -8.146 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.769 4.045 -6.695 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.935 3.017 -5.286 1.00 0.78 H new ATOM 1237 N GLU A 83 14.990 2.700 -9.070 1.00 0.55 N ATOM 1238 CA GLU A 83 14.420 3.633 -10.058 1.00 0.58 C ATOM 1239 C GLU A 83 12.902 3.799 -9.910 1.00 0.59 C ATOM 1240 O GLU A 83 12.338 4.788 -10.388 1.00 0.65 O ATOM 1241 CB GLU A 83 14.748 3.164 -11.479 1.00 0.64 C ATOM 1242 CG GLU A 83 16.203 3.372 -11.876 1.00 0.71 C ATOM 1243 CD GLU A 83 16.496 2.898 -13.285 1.00 0.94 C ATOM 1244 OE1 GLU A 83 16.365 3.711 -14.224 1.00 1.76 O ATOM 1245 OE2 GLU A 83 16.856 1.713 -13.451 1.00 1.27 O ATOM 0 H GLU A 83 15.155 1.760 -9.430 1.00 0.55 H new ATOM 0 HA GLU A 83 14.875 4.606 -9.870 1.00 0.58 H new ATOM 0 HB2 GLU A 83 14.505 2.105 -11.567 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.109 3.697 -12.184 1.00 0.64 H new ATOM 0 HG2 GLU A 83 16.450 4.430 -11.794 1.00 0.71 H new ATOM 0 HG3 GLU A 83 16.847 2.839 -11.176 1.00 0.71 H new ATOM 1252 N GLU A 84 12.251 2.832 -9.251 1.00 0.60 N ATOM 1253 CA GLU A 84 10.794 2.861 -9.053 1.00 0.68 C ATOM 1254 C GLU A 84 10.375 3.646 -7.802 1.00 0.63 C ATOM 1255 O GLU A 84 9.434 4.431 -7.855 1.00 0.69 O ATOM 1256 CB GLU A 84 10.216 1.429 -9.007 1.00 0.80 C ATOM 1257 CG GLU A 84 10.883 0.478 -8.007 1.00 1.14 C ATOM 1258 CD GLU A 84 10.188 0.457 -6.658 1.00 1.74 C ATOM 1259 OE1 GLU A 84 10.800 0.907 -5.667 1.00 2.23 O ATOM 1260 OE2 GLU A 84 9.031 -0.012 -6.591 1.00 2.31 O ATOM 0 H GLU A 84 12.711 2.017 -8.844 1.00 0.60 H new ATOM 0 HA GLU A 84 10.378 3.388 -9.912 1.00 0.68 H new ATOM 0 HB2 GLU A 84 9.154 1.492 -8.768 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.293 0.993 -10.003 1.00 0.80 H new ATOM 0 HG2 GLU A 84 10.891 -0.530 -8.422 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.923 0.774 -7.870 1.00 1.14 H new ATOM 1267 N ILE A 85 11.102 3.435 -6.695 1.00 0.57 N ATOM 1268 CA ILE A 85 10.816 4.067 -5.384 1.00 0.54 C ATOM 1269 C ILE A 85 10.673 5.607 -5.428 1.00 0.50 C ATOM 1270 O ILE A 85 10.003 6.182 -4.565 1.00 0.50 O ATOM 1271 CB ILE A 85 11.887 3.615 -4.333 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.358 3.739 -2.894 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.209 4.373 -4.482 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.706 2.547 -2.027 1.00 0.57 C ATOM 0 H ILE A 85 11.913 2.817 -6.677 1.00 0.57 H new ATOM 0 HA ILE A 85 9.831 3.714 -5.080 1.00 0.54 H new ATOM 0 HB ILE A 85 12.087 2.563 -4.537 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.766 4.642 -2.440 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.275 3.857 -2.921 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.916 4.022 -3.730 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.619 4.197 -5.476 1.00 0.57 H new ATOM 0 HG23 ILE A 85 13.034 5.440 -4.345 1.00 0.57 H new ATOM 0 HD11 ILE A 85 11.304 2.696 -1.025 1.00 0.57 H new ATOM 0 HD12 ILE A 85 11.275 1.644 -2.460 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.789 2.441 -1.972 1.00 0.57 H new ATOM 1286 N ARG A 86 11.294 6.261 -6.416 1.00 0.50 N ATOM 1287 CA ARG A 86 11.216 7.707 -6.550 1.00 0.50 C ATOM 1288 C ARG A 86 9.915 8.133 -7.246 1.00 0.52 C ATOM 1289 O ARG A 86 9.338 9.171 -6.909 1.00 0.53 O ATOM 1290 CB ARG A 86 12.435 8.228 -7.301 1.00 0.54 C ATOM 1291 CG ARG A 86 13.762 7.629 -6.849 1.00 1.10 C ATOM 1292 CD ARG A 86 14.918 8.572 -7.135 1.00 1.26 C ATOM 1293 NE ARG A 86 16.207 8.002 -6.728 1.00 1.79 N ATOM 1294 CZ ARG A 86 17.393 8.609 -6.883 1.00 2.08 C ATOM 1295 NH1 ARG A 86 17.482 9.816 -7.438 1.00 1.78 N ATOM 1296 NH2 ARG A 86 18.498 7.999 -6.477 1.00 2.95 N ATOM 0 H ARG A 86 11.856 5.803 -7.133 1.00 0.50 H new ATOM 0 HA ARG A 86 11.208 8.145 -5.552 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.304 8.027 -8.364 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.482 9.311 -7.185 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.721 7.413 -5.781 1.00 1.10 H new ATOM 0 HG3 ARG A 86 13.928 6.681 -7.360 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.943 8.801 -8.200 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.756 9.513 -6.610 1.00 1.26 H new ATOM 0 HE ARG A 86 16.201 7.078 -6.296 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.639 10.295 -7.754 1.00 1.78 H new ATOM 0 HH12 ARG A 86 18.393 10.261 -7.547 1.00 1.78 H new ATOM 0 HH21 ARG A 86 18.443 7.074 -6.050 1.00 2.95 H new ATOM 0 HH22 ARG A 86 19.403 8.454 -6.592 1.00 2.95 H new ATOM 1310 N GLU A 87 9.467 7.320 -8.215 1.00 0.57 N ATOM 1311 CA GLU A 87 8.206 7.561 -8.939 1.00 0.63 C ATOM 1312 C GLU A 87 7.060 6.929 -8.162 1.00 0.62 C ATOM 1313 O GLU A 87 5.912 7.374 -8.239 1.00 0.65 O ATOM 1314 CB GLU A 87 8.271 6.986 -10.353 1.00 0.73 C ATOM 1315 CG GLU A 87 9.296 7.668 -11.248 1.00 0.77 C ATOM 1316 CD GLU A 87 9.395 7.028 -12.618 1.00 1.39 C ATOM 1317 OE1 GLU A 87 10.208 6.094 -12.780 1.00 2.08 O ATOM 1318 OE2 GLU A 87 8.658 7.460 -13.530 1.00 2.02 O ATOM 0 H GLU A 87 9.963 6.482 -8.518 1.00 0.57 H new ATOM 0 HA GLU A 87 8.043 8.635 -9.025 1.00 0.63 H new ATOM 0 HB2 GLU A 87 8.506 5.923 -10.292 1.00 0.73 H new ATOM 0 HB3 GLU A 87 7.287 7.069 -10.815 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.031 8.719 -11.361 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.273 7.636 -10.765 1.00 0.77 H new ATOM 1325 N ALA A 88 7.409 5.873 -7.413 1.00 0.60 N ATOM 1326 CA ALA A 88 6.487 5.173 -6.517 1.00 0.62 C ATOM 1327 C ALA A 88 6.079 6.125 -5.394 1.00 0.55 C ATOM 1328 O ALA A 88 5.101 5.897 -4.683 1.00 0.56 O ATOM 1329 CB ALA A 88 7.130 3.909 -5.983 1.00 0.70 C ATOM 0 H ALA A 88 8.350 5.479 -7.415 1.00 0.60 H new ATOM 0 HA ALA A 88 5.591 4.869 -7.058 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.433 3.399 -5.318 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.386 3.252 -6.814 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.035 4.166 -5.432 1.00 0.70 H new ATOM 1335 N PHE A 89 6.896 7.184 -5.242 1.00 0.51 N ATOM 1336 CA PHE A 89 6.639 8.267 -4.295 1.00 0.49 C ATOM 1337 C PHE A 89 5.530 9.130 -4.854 1.00 0.47 C ATOM 1338 O PHE A 89 4.640 9.581 -4.127 1.00 0.47 O ATOM 1339 CB PHE A 89 7.842 9.188 -4.132 1.00 0.51 C ATOM 1340 CG PHE A 89 7.963 9.773 -2.754 1.00 0.53 C ATOM 1341 CD1 PHE A 89 8.689 9.128 -1.769 1.00 1.27 C ATOM 1342 CD2 PHE A 89 7.342 10.974 -2.449 1.00 1.19 C ATOM 1343 CE1 PHE A 89 8.794 9.671 -0.505 1.00 1.29 C ATOM 1344 CE2 PHE A 89 7.443 11.520 -1.188 1.00 1.22 C ATOM 1345 CZ PHE A 89 8.169 10.871 -0.216 1.00 0.65 C ATOM 0 H PHE A 89 7.755 7.306 -5.779 1.00 0.51 H new ATOM 0 HA PHE A 89 6.395 7.810 -3.336 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.750 8.632 -4.363 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.771 9.998 -4.858 1.00 0.51 H new ATOM 0 HD1 PHE A 89 9.178 8.191 -1.991 1.00 1.27 H new ATOM 0 HD2 PHE A 89 6.772 11.488 -3.209 1.00 1.19 H new ATOM 0 HE1 PHE A 89 9.363 9.160 0.258 1.00 1.29 H new ATOM 0 HE2 PHE A 89 6.953 12.456 -0.963 1.00 1.22 H new ATOM 0 HZ PHE A 89 8.251 11.298 0.772 1.00 0.65 H new ATOM 1355 N ARG A 90 5.608 9.350 -6.184 1.00 0.50 N ATOM 1356 CA ARG A 90 4.636 10.157 -6.896 1.00 0.54 C ATOM 1357 C ARG A 90 3.229 9.548 -6.806 1.00 0.54 C ATOM 1358 O ARG A 90 2.231 10.211 -7.102 1.00 0.60 O ATOM 1359 CB ARG A 90 5.052 10.321 -8.364 1.00 0.62 C ATOM 1360 CG ARG A 90 5.545 11.721 -8.724 1.00 1.26 C ATOM 1361 CD ARG A 90 4.395 12.663 -9.069 1.00 1.50 C ATOM 1362 NE ARG A 90 3.808 12.367 -10.383 1.00 2.03 N ATOM 1363 CZ ARG A 90 2.829 13.079 -10.960 1.00 2.50 C ATOM 1364 NH1 ARG A 90 2.303 14.143 -10.356 1.00 2.61 N ATOM 1365 NH2 ARG A 90 2.374 12.720 -12.152 1.00 3.17 N ATOM 0 H ARG A 90 6.346 8.970 -6.776 1.00 0.50 H new ATOM 0 HA ARG A 90 4.607 11.139 -6.424 1.00 0.54 H new ATOM 0 HB2 ARG A 90 5.840 9.602 -8.589 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.203 10.073 -9.000 1.00 0.62 H new ATOM 0 HG2 ARG A 90 6.111 12.132 -7.888 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.228 11.658 -9.571 1.00 1.26 H new ATOM 0 HD2 ARG A 90 3.623 12.587 -8.303 1.00 1.50 H new ATOM 0 HD3 ARG A 90 4.755 13.692 -9.058 1.00 1.50 H new ATOM 0 HE ARG A 90 4.171 11.562 -10.893 1.00 2.03 H new ATOM 0 HH11 ARG A 90 2.644 14.429 -9.438 1.00 2.61 H new ATOM 0 HH12 ARG A 90 1.559 14.672 -10.811 1.00 2.61 H new ATOM 0 HH21 ARG A 90 2.768 11.907 -12.625 1.00 3.17 H new ATOM 0 HH22 ARG A 90 1.630 13.257 -12.597 1.00 3.17 H new ATOM 1379 N VAL A 91 3.192 8.266 -6.400 1.00 0.51 N ATOM 1380 CA VAL A 91 1.970 7.482 -6.227 1.00 0.53 C ATOM 1381 C VAL A 91 0.912 8.237 -5.394 1.00 0.54 C ATOM 1382 O VAL A 91 -0.259 8.304 -5.778 1.00 0.60 O ATOM 1383 CB VAL A 91 2.340 6.101 -5.592 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.093 6.029 -4.084 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.637 4.975 -6.319 1.00 0.59 C ATOM 0 H VAL A 91 4.037 7.739 -6.179 1.00 0.51 H new ATOM 0 HA VAL A 91 1.514 7.314 -7.203 1.00 0.53 H new ATOM 0 HB VAL A 91 3.417 5.986 -5.716 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.373 5.042 -3.716 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.693 6.787 -3.580 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.037 6.206 -3.879 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.907 4.023 -5.863 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.558 5.116 -6.252 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.939 4.974 -7.366 1.00 0.59 H new ATOM 1395 N PHE A 92 1.355 8.793 -4.260 1.00 0.49 N ATOM 1396 CA PHE A 92 0.502 9.560 -3.383 1.00 0.54 C ATOM 1397 C PHE A 92 0.865 11.030 -3.464 1.00 0.60 C ATOM 1398 O PHE A 92 0.002 11.904 -3.337 1.00 0.69 O ATOM 1399 CB PHE A 92 0.572 9.062 -1.939 1.00 0.53 C ATOM 1400 CG PHE A 92 -0.302 7.860 -1.686 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -1.679 7.922 -1.887 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.248 6.670 -1.255 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -2.478 6.821 -1.664 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -0.550 5.568 -1.028 1.00 2.68 C ATOM 1405 CZ PHE A 92 -1.914 5.642 -1.233 1.00 2.89 C ATOM 0 H PHE A 92 2.319 8.716 -3.936 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.527 9.428 -3.716 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.605 8.810 -1.697 1.00 0.53 H new ATOM 0 HB3 PHE A 92 0.275 9.868 -1.268 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -2.127 8.846 -2.222 1.00 1.94 H new ATOM 0 HD2 PHE A 92 1.314 6.601 -1.094 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -3.544 6.884 -1.827 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -0.107 4.644 -0.689 1.00 2.68 H new ATOM 0 HZ PHE A 92 -2.536 4.777 -1.056 1.00 2.89 H new ATOM 1415 N ALA A 93 2.166 11.289 -3.679 1.00 0.57 N ATOM 1416 CA ALA A 93 2.680 12.655 -3.806 1.00 0.66 C ATOM 1417 C ALA A 93 2.229 13.316 -5.109 1.00 0.85 C ATOM 1418 O ALA A 93 2.816 13.098 -6.177 1.00 1.63 O ATOM 1419 CB ALA A 93 4.204 12.713 -3.700 1.00 0.65 C ATOM 0 H ALA A 93 2.879 10.565 -3.768 1.00 0.57 H new ATOM 0 HA ALA A 93 2.258 13.211 -2.969 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.537 13.746 -3.800 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.516 12.324 -2.731 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.647 12.111 -4.493 1.00 0.65 H new ATOM 1425 N LYS A 94 1.160 14.104 -5.005 1.00 1.24 N ATOM 1426 CA LYS A 94 0.621 14.845 -6.145 1.00 1.42 C ATOM 1427 C LYS A 94 1.253 16.234 -6.196 1.00 1.36 C ATOM 1428 O LYS A 94 0.949 17.048 -7.075 1.00 1.78 O ATOM 1429 CB LYS A 94 -0.903 14.959 -6.039 1.00 1.75 C ATOM 1430 CG LYS A 94 -1.639 13.647 -6.269 1.00 2.06 C ATOM 1431 CD LYS A 94 -3.145 13.826 -6.156 1.00 2.52 C ATOM 1432 CE LYS A 94 -3.880 12.516 -6.392 1.00 2.90 C ATOM 1433 NZ LYS A 94 -5.356 12.681 -6.286 1.00 3.37 N ATOM 0 H LYS A 94 0.646 14.246 -4.135 1.00 1.24 H new ATOM 0 HA LYS A 94 0.860 14.308 -7.063 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -1.161 15.340 -5.051 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -1.254 15.693 -6.765 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -1.391 13.258 -7.256 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -1.304 12.908 -5.541 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -3.394 14.211 -5.167 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -3.480 14.568 -6.881 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -3.628 12.131 -7.380 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -3.544 11.775 -5.666 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -5.821 11.766 -6.453 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -5.600 13.024 -5.335 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -5.680 13.369 -6.996 1.00 3.37 H new ATOM 1447 N ASP A 95 2.152 16.474 -5.233 1.00 1.40 N ATOM 1448 CA ASP A 95 2.873 17.739 -5.110 1.00 1.71 C ATOM 1449 C ASP A 95 3.978 17.874 -6.161 1.00 1.53 C ATOM 1450 O ASP A 95 4.521 18.965 -6.362 1.00 1.84 O ATOM 1451 CB ASP A 95 3.466 17.880 -3.705 1.00 2.30 C ATOM 1452 CG ASP A 95 2.400 18.028 -2.634 1.00 2.81 C ATOM 1453 OD1 ASP A 95 2.135 17.039 -1.919 1.00 3.23 O ATOM 1454 OD2 ASP A 95 1.829 19.132 -2.514 1.00 3.21 O ATOM 0 H ASP A 95 2.398 15.791 -4.516 1.00 1.40 H new ATOM 0 HA ASP A 95 2.154 18.540 -5.281 1.00 1.71 H new ATOM 0 HB2 ASP A 95 4.079 17.006 -3.484 1.00 2.30 H new ATOM 0 HB3 ASP A 95 4.126 18.747 -3.678 1.00 2.30 H new ATOM 1459 N GLY A 96 4.298 16.754 -6.825 1.00 1.38 N ATOM 1460 CA GLY A 96 5.337 16.745 -7.857 1.00 1.83 C ATOM 1461 C GLY A 96 6.753 16.833 -7.299 1.00 1.85 C ATOM 1462 O GLY A 96 7.711 17.018 -8.055 1.00 2.43 O ATOM 0 H GLY A 96 3.854 15.850 -6.665 1.00 1.38 H new ATOM 0 HA2 GLY A 96 5.244 15.833 -8.446 1.00 1.83 H new ATOM 0 HA3 GLY A 96 5.170 17.581 -8.536 1.00 1.83 H new ATOM 1466 N ASN A 97 6.871 16.697 -5.975 1.00 1.55 N ATOM 1467 CA ASN A 97 8.150 16.763 -5.284 1.00 1.99 C ATOM 1468 C ASN A 97 8.207 15.696 -4.192 1.00 1.78 C ATOM 1469 O ASN A 97 9.197 14.965 -4.084 1.00 2.66 O ATOM 1470 CB ASN A 97 8.382 18.165 -4.695 1.00 2.43 C ATOM 1471 CG ASN A 97 9.854 18.482 -4.486 1.00 3.41 C ATOM 1472 OD1 ASN A 97 10.518 19.015 -5.375 1.00 4.01 O ATOM 1473 ND2 ASN A 97 10.368 18.152 -3.307 1.00 4.00 N ATOM 0 H ASN A 97 6.076 16.538 -5.356 1.00 1.55 H new ATOM 0 HA ASN A 97 8.947 16.570 -6.002 1.00 1.99 H new ATOM 0 HB2 ASN A 97 7.946 18.910 -5.361 1.00 2.43 H new ATOM 0 HB3 ASN A 97 7.859 18.244 -3.742 1.00 2.43 H new ATOM 0 HD21 ASN A 97 11.351 18.339 -3.109 1.00 4.00 H new ATOM 0 HD22 ASN A 97 9.780 17.712 -2.599 1.00 4.00 H new ATOM 1480 N GLY A 98 7.138 15.619 -3.388 1.00 1.20 N ATOM 1481 CA GLY A 98 7.060 14.623 -2.337 1.00 1.80 C ATOM 1482 C GLY A 98 7.215 15.172 -0.931 1.00 1.46 C ATOM 1483 O GLY A 98 8.077 14.707 -0.191 1.00 1.68 O ATOM 0 H GLY A 98 6.327 16.234 -3.452 1.00 1.20 H new ATOM 0 HA2 GLY A 98 6.100 14.113 -2.409 1.00 1.80 H new ATOM 0 HA3 GLY A 98 7.833 13.874 -2.507 1.00 1.80 H new ATOM 1487 N TYR A 99 6.380 16.151 -0.564 1.00 1.07 N ATOM 1488 CA TYR A 99 6.404 16.732 0.788 1.00 0.84 C ATOM 1489 C TYR A 99 5.065 16.461 1.499 1.00 0.81 C ATOM 1490 O TYR A 99 4.500 17.336 2.168 1.00 0.96 O ATOM 1491 CB TYR A 99 6.741 18.244 0.756 1.00 1.07 C ATOM 1492 CG TYR A 99 5.896 19.089 -0.184 1.00 1.57 C ATOM 1493 CD1 TYR A 99 6.371 19.444 -1.439 1.00 2.28 C ATOM 1494 CD2 TYR A 99 4.635 19.537 0.191 1.00 2.37 C ATOM 1495 CE1 TYR A 99 5.614 20.221 -2.295 1.00 3.13 C ATOM 1496 CE2 TYR A 99 3.871 20.312 -0.661 1.00 3.24 C ATOM 1497 CZ TYR A 99 4.366 20.652 -1.902 1.00 3.46 C ATOM 1498 OH TYR A 99 3.609 21.425 -2.752 1.00 4.47 O ATOM 0 H TYR A 99 5.679 16.559 -1.182 1.00 1.07 H new ATOM 0 HA TYR A 99 7.199 16.250 1.356 1.00 0.84 H new ATOM 0 HB2 TYR A 99 6.637 18.642 1.765 1.00 1.07 H new ATOM 0 HB3 TYR A 99 7.788 18.358 0.475 1.00 1.07 H new ATOM 0 HD1 TYR A 99 7.348 19.107 -1.752 1.00 2.28 H new ATOM 0 HD2 TYR A 99 4.246 19.275 1.164 1.00 2.37 H new ATOM 0 HE1 TYR A 99 5.999 20.489 -3.268 1.00 3.13 H new ATOM 0 HE2 TYR A 99 2.891 20.649 -0.356 1.00 3.24 H new ATOM 0 HH TYR A 99 2.777 20.954 -2.969 1.00 4.47 H new ATOM 1508 N ILE A 100 4.584 15.217 1.361 1.00 1.17 N ATOM 1509 CA ILE A 100 3.305 14.796 1.947 1.00 1.39 C ATOM 1510 C ILE A 100 3.459 14.200 3.352 1.00 1.13 C ATOM 1511 O ILE A 100 4.238 13.268 3.565 1.00 1.43 O ATOM 1512 CB ILE A 100 2.534 13.793 1.030 1.00 2.12 C ATOM 1513 CG1 ILE A 100 3.428 12.643 0.522 1.00 2.36 C ATOM 1514 CG2 ILE A 100 1.913 14.528 -0.150 1.00 2.84 C ATOM 1515 CD1 ILE A 100 3.349 11.391 1.370 1.00 3.08 C ATOM 0 H ILE A 100 5.066 14.481 0.845 1.00 1.17 H new ATOM 0 HA ILE A 100 2.718 15.710 2.033 1.00 1.39 H new ATOM 0 HB ILE A 100 1.749 13.346 1.640 1.00 2.12 H new ATOM 0 HG12 ILE A 100 3.142 12.397 -0.501 1.00 2.36 H new ATOM 0 HG13 ILE A 100 4.462 12.985 0.491 1.00 2.36 H new ATOM 0 HG21 ILE A 100 1.379 13.818 -0.781 1.00 2.84 H new ATOM 0 HG22 ILE A 100 1.217 15.282 0.217 1.00 2.84 H new ATOM 0 HG23 ILE A 100 2.698 15.011 -0.732 1.00 2.84 H new ATOM 0 HD11 ILE A 100 4.004 10.626 0.952 1.00 3.08 H new ATOM 0 HD12 ILE A 100 3.663 11.621 2.388 1.00 3.08 H new ATOM 0 HD13 ILE A 100 2.323 11.023 1.381 1.00 3.08 H new ATOM 1527 N SER A 101 2.702 14.773 4.299 1.00 0.79 N ATOM 1528 CA SER A 101 2.674 14.349 5.700 1.00 0.64 C ATOM 1529 C SER A 101 2.105 12.961 5.894 1.00 0.64 C ATOM 1530 O SER A 101 1.323 12.468 5.076 1.00 0.70 O ATOM 1531 CB SER A 101 1.818 15.336 6.510 1.00 0.71 C ATOM 1532 OG SER A 101 2.055 16.679 6.121 1.00 1.45 O ATOM 0 H SER A 101 2.081 15.559 4.105 1.00 0.79 H new ATOM 0 HA SER A 101 3.709 14.333 6.042 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.763 15.099 6.374 1.00 0.71 H new ATOM 0 HB3 SER A 101 2.037 15.221 7.572 1.00 0.71 H new ATOM 0 HG SER A 101 1.493 17.278 6.655 1.00 1.45 H new ATOM 1538 N ALA A 102 2.526 12.340 7.005 1.00 0.72 N ATOM 1539 CA ALA A 102 2.022 11.035 7.413 1.00 0.83 C ATOM 1540 C ALA A 102 0.580 11.210 7.879 1.00 0.77 C ATOM 1541 O ALA A 102 -0.169 10.244 8.038 1.00 0.87 O ATOM 1542 CB ALA A 102 2.879 10.442 8.517 1.00 1.01 C ATOM 0 H ALA A 102 3.222 12.732 7.639 1.00 0.72 H new ATOM 0 HA ALA A 102 2.061 10.343 6.572 1.00 0.83 H new ATOM 0 HB1 ALA A 102 2.481 9.468 8.803 1.00 1.01 H new ATOM 0 HB2 ALA A 102 3.902 10.325 8.160 1.00 1.01 H new ATOM 0 HB3 ALA A 102 2.870 11.106 9.381 1.00 1.01 H new ATOM 1548 N ALA A 103 0.223 12.495 8.091 1.00 0.68 N ATOM 1549 CA ALA A 103 -1.125 12.899 8.503 1.00 0.71 C ATOM 1550 C ALA A 103 -2.086 12.799 7.318 1.00 0.64 C ATOM 1551 O ALA A 103 -3.308 12.776 7.489 1.00 0.71 O ATOM 1552 CB ALA A 103 -1.108 14.315 9.059 1.00 0.84 C ATOM 0 H ALA A 103 0.868 13.278 7.979 1.00 0.68 H new ATOM 0 HA ALA A 103 -1.469 12.227 9.289 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -2.116 14.600 9.360 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -0.445 14.359 9.923 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -0.751 15.003 8.292 1.00 0.84 H new ATOM 1558 N GLU A 104 -1.495 12.743 6.112 1.00 0.59 N ATOM 1559 CA GLU A 104 -2.227 12.610 4.860 1.00 0.69 C ATOM 1560 C GLU A 104 -2.767 11.199 4.679 1.00 0.67 C ATOM 1561 O GLU A 104 -3.664 10.984 3.867 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.355 12.999 3.683 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.200 14.503 3.533 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.500 14.915 2.251 1.00 1.24 C ATOM 1565 OE1 GLU A 104 0.504 15.649 2.340 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.960 14.514 1.159 1.00 1.65 O ATOM 0 H GLU A 104 -0.484 12.790 5.988 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.077 13.291 4.902 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -0.370 12.548 3.802 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -1.784 12.590 2.768 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.186 14.967 3.564 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -0.639 14.889 4.384 1.00 0.99 H new ATOM 1573 N LEU A 105 -2.206 10.230 5.440 1.00 0.68 N ATOM 1574 CA LEU A 105 -2.651 8.831 5.386 1.00 0.80 C ATOM 1575 C LEU A 105 -4.125 8.671 5.686 1.00 0.68 C ATOM 1576 O LEU A 105 -4.746 7.660 5.353 1.00 0.69 O ATOM 1577 CB LEU A 105 -1.849 7.985 6.332 1.00 1.07 C ATOM 1578 CG LEU A 105 -0.552 7.493 5.734 1.00 1.38 C ATOM 1579 CD1 LEU A 105 0.516 7.539 6.787 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -0.733 6.099 5.155 1.00 1.81 C ATOM 0 H LEU A 105 -1.444 10.399 6.097 1.00 0.68 H new ATOM 0 HA LEU A 105 -2.488 8.496 4.362 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -1.632 8.562 7.231 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -2.448 7.128 6.640 1.00 1.07 H new ATOM 0 HG LEU A 105 -0.246 8.138 4.910 1.00 1.38 H new ATOM 0 HD11 LEU A 105 1.457 7.186 6.366 1.00 1.58 H new ATOM 0 HD12 LEU A 105 0.637 8.564 7.138 1.00 1.58 H new ATOM 0 HD13 LEU A 105 0.230 6.901 7.623 1.00 1.58 H new ATOM 0 HD21 LEU A 105 0.210 5.757 4.728 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -1.043 5.414 5.945 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -1.496 6.124 4.377 1.00 1.81 H new ATOM 1592 N ARG A 106 -4.650 9.690 6.324 1.00 0.65 N ATOM 1593 CA ARG A 106 -6.038 9.782 6.684 1.00 0.68 C ATOM 1594 C ARG A 106 -6.852 10.248 5.466 1.00 0.66 C ATOM 1595 O ARG A 106 -7.993 9.817 5.272 1.00 0.74 O ATOM 1596 CB ARG A 106 -6.108 10.772 7.845 1.00 0.79 C ATOM 1597 CG ARG A 106 -7.483 11.373 8.157 1.00 0.97 C ATOM 1598 CD ARG A 106 -8.309 10.462 9.055 1.00 1.46 C ATOM 1599 NE ARG A 106 -9.597 11.065 9.415 1.00 1.70 N ATOM 1600 CZ ARG A 106 -10.404 10.620 10.390 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -10.076 9.559 11.125 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -11.548 11.246 10.629 1.00 2.39 N ATOM 0 H ARG A 106 -4.103 10.501 6.614 1.00 0.65 H new ATOM 0 HA ARG A 106 -6.460 8.824 6.989 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -5.745 10.270 8.742 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -5.419 11.590 7.636 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -7.355 12.341 8.641 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -8.021 11.551 7.226 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -8.482 9.513 8.547 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.747 10.240 9.962 1.00 1.46 H new ATOM 0 HE ARG A 106 -9.901 11.882 8.885 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -9.198 9.070 10.951 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -10.703 9.236 11.862 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -11.810 12.060 10.073 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -12.167 10.913 11.369 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.242 11.134 4.653 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.895 11.659 3.455 1.00 0.82 C ATOM 1618 C HIS A 107 -6.672 10.784 2.222 1.00 0.87 C ATOM 1619 O HIS A 107 -7.613 10.568 1.455 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.427 13.091 3.188 1.00 0.94 C ATOM 1621 CG HIS A 107 -7.066 14.107 4.083 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -8.125 14.898 3.690 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.789 14.461 5.361 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -8.471 15.695 4.686 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.677 15.448 5.710 1.00 1.46 N ATOM 0 H HIS A 107 -5.301 11.495 4.811 1.00 0.67 H new ATOM 0 HA HIS A 107 -7.968 11.654 3.648 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -5.345 13.140 3.311 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -6.641 13.347 2.150 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -6.014 14.045 5.988 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -9.268 16.424 4.665 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -7.716 15.915 6.616 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.439 10.283 2.019 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.142 9.429 0.862 1.00 1.11 C ATOM 1636 C VAL A 108 -5.856 8.077 0.948 1.00 0.96 C ATOM 1637 O VAL A 108 -6.225 7.508 -0.083 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.623 9.218 0.593 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -3.044 10.448 -0.082 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.826 8.877 1.850 1.00 0.86 C ATOM 0 H VAL A 108 -4.644 10.454 2.635 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.532 9.984 0.009 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.537 8.354 -0.066 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.981 10.295 -0.268 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.557 10.619 -1.029 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.178 11.315 0.565 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.776 8.743 1.590 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.921 9.688 2.572 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.212 7.956 2.287 1.00 0.86 H new ATOM 1650 N MET A 109 -6.047 7.565 2.181 1.00 0.88 N ATOM 1651 CA MET A 109 -6.754 6.303 2.382 1.00 0.80 C ATOM 1652 C MET A 109 -8.236 6.429 2.097 1.00 0.72 C ATOM 1653 O MET A 109 -8.813 5.540 1.478 1.00 0.73 O ATOM 1654 CB MET A 109 -6.522 5.748 3.792 1.00 0.80 C ATOM 1655 CG MET A 109 -5.218 5.004 3.962 1.00 1.72 C ATOM 1656 SD MET A 109 -4.664 4.132 2.476 1.00 2.24 S ATOM 1657 CE MET A 109 -3.517 5.320 1.785 1.00 3.24 C ATOM 0 H MET A 109 -5.721 8.008 3.040 1.00 0.88 H new ATOM 0 HA MET A 109 -6.339 5.596 1.664 1.00 0.80 H new ATOM 0 HB2 MET A 109 -6.551 6.573 4.504 1.00 0.80 H new ATOM 0 HB3 MET A 109 -7.344 5.079 4.046 1.00 0.80 H new ATOM 0 HG2 MET A 109 -4.446 5.711 4.264 1.00 1.72 H new ATOM 0 HG3 MET A 109 -5.326 4.284 4.773 1.00 1.72 H new ATOM 0 HE1 MET A 109 -2.866 4.822 1.067 1.00 3.24 H new ATOM 0 HE2 MET A 109 -4.072 6.112 1.283 1.00 3.24 H new ATOM 0 HE3 MET A 109 -2.913 5.750 2.584 1.00 3.24 H new ATOM 1667 N THR A 110 -8.835 7.547 2.506 1.00 0.72 N ATOM 1668 CA THR A 110 -10.261 7.784 2.259 1.00 0.77 C ATOM 1669 C THR A 110 -10.435 8.312 0.833 1.00 0.89 C ATOM 1670 O THR A 110 -11.538 8.269 0.280 1.00 0.97 O ATOM 1671 CB THR A 110 -10.871 8.765 3.291 1.00 0.83 C ATOM 1672 OG1 THR A 110 -10.360 8.478 4.600 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.396 8.679 3.324 1.00 0.97 C ATOM 0 H THR A 110 -8.361 8.299 3.006 1.00 0.72 H new ATOM 0 HA THR A 110 -10.797 6.842 2.371 1.00 0.77 H new ATOM 0 HB THR A 110 -10.590 9.773 2.987 1.00 0.83 H new ATOM 0 HG1 THR A 110 -9.535 8.986 4.748 1.00 0.78 H new ATOM 0 HG21 THR A 110 -12.784 9.383 4.060 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.796 8.926 2.340 1.00 0.97 H new ATOM 0 HG23 THR A 110 -12.698 7.667 3.595 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.325 8.814 0.249 1.00 0.96 N ATOM 1682 CA ASN A 111 -9.310 9.250 -1.151 1.00 1.14 C ATOM 1683 C ASN A 111 -9.564 7.999 -1.996 1.00 1.13 C ATOM 1684 O ASN A 111 -10.126 8.061 -3.093 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.966 9.897 -1.511 1.00 1.26 C ATOM 1686 CG ASN A 111 -8.038 10.752 -2.765 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -7.820 10.266 -3.875 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -8.346 12.032 -2.592 1.00 1.85 N ATOM 0 H ASN A 111 -8.433 8.924 0.731 1.00 0.96 H new ATOM 0 HA ASN A 111 -10.073 10.006 -1.334 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -7.630 10.513 -0.677 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.219 9.116 -1.652 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -8.410 12.655 -3.397 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -8.519 12.393 -1.654 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.119 6.861 -1.428 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.344 5.540 -1.994 1.00 1.04 C ATOM 1697 C LEU A 112 -10.597 4.956 -1.322 1.00 0.95 C ATOM 1698 O LEU A 112 -11.225 4.027 -1.837 1.00 1.02 O ATOM 1699 CB LEU A 112 -8.126 4.628 -1.758 1.00 1.07 C ATOM 1700 CG LEU A 112 -6.776 5.145 -2.294 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -5.627 4.470 -1.563 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -6.655 4.906 -3.795 1.00 1.54 C ATOM 0 H LEU A 112 -8.590 6.846 -0.556 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.488 5.611 -3.072 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -8.027 4.459 -0.686 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -8.329 3.660 -2.216 1.00 1.07 H new ATOM 0 HG LEU A 112 -6.730 6.219 -2.115 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -4.679 4.844 -1.951 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -5.695 4.689 -0.497 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -5.682 3.392 -1.716 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -5.694 5.280 -4.147 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -6.726 3.838 -4.000 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -7.459 5.429 -4.313 1.00 1.54 H new ATOM 1714 N GLY A 113 -10.931 5.540 -0.150 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.108 5.159 0.622 1.00 0.82 C ATOM 1716 C GLY A 113 -11.872 4.071 1.647 1.00 0.76 C ATOM 1717 O GLY A 113 -12.778 3.292 1.956 1.00 0.82 O ATOM 0 H GLY A 113 -10.384 6.288 0.277 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.491 6.042 1.133 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -12.885 4.827 -0.067 1.00 0.82 H new ATOM 1721 N GLU A 114 -10.653 4.027 2.165 1.00 0.70 N ATOM 1722 CA GLU A 114 -10.239 3.059 3.181 1.00 0.70 C ATOM 1723 C GLU A 114 -11.018 3.256 4.470 1.00 0.73 C ATOM 1724 O GLU A 114 -11.391 4.382 4.815 1.00 0.73 O ATOM 1725 CB GLU A 114 -8.753 3.211 3.461 1.00 0.70 C ATOM 1726 CG GLU A 114 -7.872 2.292 2.630 1.00 0.79 C ATOM 1727 CD GLU A 114 -7.727 0.907 3.234 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -8.553 0.027 2.908 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -6.789 0.702 4.032 1.00 2.12 O ATOM 0 H GLU A 114 -9.910 4.670 1.890 1.00 0.70 H new ATOM 0 HA GLU A 114 -10.443 2.058 2.801 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -8.462 4.245 3.273 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -8.571 3.015 4.518 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -8.291 2.204 1.628 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -6.885 2.742 2.524 1.00 0.79 H new ATOM 1736 N LYS A 115 -11.253 2.156 5.168 1.00 0.82 N ATOM 1737 CA LYS A 115 -12.005 2.167 6.379 1.00 0.92 C ATOM 1738 C LYS A 115 -11.146 1.873 7.594 1.00 1.06 C ATOM 1739 O LYS A 115 -10.660 0.754 7.798 1.00 1.21 O ATOM 1740 CB LYS A 115 -13.135 1.182 6.276 1.00 1.04 C ATOM 1741 CG LYS A 115 -14.093 1.472 5.120 1.00 1.05 C ATOM 1742 CD LYS A 115 -14.743 0.202 4.578 1.00 1.31 C ATOM 1743 CE LYS A 115 -13.959 -0.379 3.406 1.00 1.23 C ATOM 1744 NZ LYS A 115 -14.586 -1.623 2.880 1.00 1.56 N ATOM 0 H LYS A 115 -10.918 1.232 4.895 1.00 0.82 H new ATOM 0 HA LYS A 115 -12.406 3.171 6.516 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -12.723 0.180 6.154 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -13.695 1.184 7.211 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -14.869 2.160 5.457 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -13.551 1.972 4.317 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -14.811 -0.540 5.374 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -15.762 0.422 4.260 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -13.897 0.361 2.608 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -12.938 -0.593 3.723 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -14.023 -1.986 2.085 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -14.623 -2.339 3.634 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -15.551 -1.414 2.554 1.00 1.56 H new ATOM 1758 N LEU A 116 -10.965 2.917 8.373 1.00 1.10 N ATOM 1759 CA LEU A 116 -10.175 2.878 9.599 1.00 1.28 C ATOM 1760 C LEU A 116 -10.920 3.585 10.732 1.00 1.19 C ATOM 1761 O LEU A 116 -11.898 4.299 10.480 1.00 1.19 O ATOM 1762 CB LEU A 116 -8.803 3.520 9.354 1.00 1.54 C ATOM 1763 CG LEU A 116 -7.755 2.585 8.741 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -6.888 3.335 7.743 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -6.893 1.961 9.830 1.00 3.12 C ATOM 0 H LEU A 116 -11.366 3.834 8.175 1.00 1.10 H new ATOM 0 HA LEU A 116 -10.021 1.840 9.895 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -8.932 4.379 8.696 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -8.421 3.899 10.302 1.00 1.54 H new ATOM 0 HG LEU A 116 -8.276 1.786 8.213 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -6.150 2.654 7.319 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -7.514 3.735 6.945 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -6.377 4.155 8.249 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -6.155 1.300 9.376 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -6.383 2.748 10.386 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -7.524 1.388 10.509 1.00 3.12 H new ATOM 1777 N THR A 117 -10.460 3.391 11.975 1.00 1.15 N ATOM 1778 CA THR A 117 -11.081 4.044 13.132 1.00 1.08 C ATOM 1779 C THR A 117 -10.402 5.392 13.393 1.00 0.99 C ATOM 1780 O THR A 117 -9.309 5.650 12.877 1.00 0.98 O ATOM 1781 CB THR A 117 -11.017 3.171 14.410 1.00 1.04 C ATOM 1782 OG1 THR A 117 -10.789 1.798 14.070 1.00 1.34 O ATOM 1783 CG2 THR A 117 -12.313 3.281 15.204 1.00 1.40 C ATOM 0 H THR A 117 -9.667 2.792 12.203 1.00 1.15 H new ATOM 0 HA THR A 117 -12.134 4.193 12.893 1.00 1.08 H new ATOM 0 HB THR A 117 -10.191 3.535 15.021 1.00 1.04 H new ATOM 0 HG1 THR A 117 -10.552 1.296 14.878 1.00 1.34 H new ATOM 0 HG21 THR A 117 -12.246 2.660 16.097 1.00 1.40 H new ATOM 0 HG22 THR A 117 -12.475 4.319 15.495 1.00 1.40 H new ATOM 0 HG23 THR A 117 -13.147 2.943 14.589 1.00 1.40 H new ATOM 1791 N ASP A 118 -11.051 6.244 14.196 1.00 1.00 N ATOM 1792 CA ASP A 118 -10.524 7.580 14.514 1.00 1.00 C ATOM 1793 C ASP A 118 -9.200 7.517 15.287 1.00 0.90 C ATOM 1794 O ASP A 118 -8.269 8.266 14.980 1.00 0.96 O ATOM 1795 CB ASP A 118 -11.556 8.385 15.312 1.00 1.07 C ATOM 1796 CG ASP A 118 -12.757 8.789 14.476 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -12.715 9.878 13.865 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -13.737 8.017 14.432 1.00 2.05 O ATOM 0 H ASP A 118 -11.945 6.032 14.639 1.00 1.00 H new ATOM 0 HA ASP A 118 -10.326 8.078 13.565 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -11.893 7.793 16.163 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -11.081 9.280 15.714 1.00 1.07 H new ATOM 1803 N GLU A 119 -9.127 6.623 16.282 1.00 0.82 N ATOM 1804 CA GLU A 119 -7.930 6.468 17.101 1.00 0.81 C ATOM 1805 C GLU A 119 -6.947 5.448 16.537 1.00 0.77 C ATOM 1806 O GLU A 119 -5.738 5.589 16.750 1.00 0.78 O ATOM 1807 CB GLU A 119 -8.298 6.107 18.547 1.00 0.89 C ATOM 1808 CG GLU A 119 -8.911 7.256 19.343 1.00 1.11 C ATOM 1809 CD GLU A 119 -7.874 8.238 19.863 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -7.567 9.213 19.146 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -7.372 8.030 20.988 1.00 2.07 O ATOM 0 H GLU A 119 -9.890 5.996 16.536 1.00 0.82 H new ATOM 0 HA GLU A 119 -7.426 7.435 17.088 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -9.001 5.274 18.534 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -7.402 5.760 19.062 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -9.623 7.788 18.712 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -9.472 6.849 20.184 1.00 1.11 H new ATOM 1818 N GLU A 120 -7.449 4.418 15.830 1.00 0.77 N ATOM 1819 CA GLU A 120 -6.594 3.403 15.234 1.00 0.80 C ATOM 1820 C GLU A 120 -5.602 4.037 14.263 1.00 0.80 C ATOM 1821 O GLU A 120 -4.416 3.700 14.286 1.00 0.81 O ATOM 1822 CB GLU A 120 -7.445 2.345 14.537 1.00 0.97 C ATOM 1823 CG GLU A 120 -7.851 1.196 15.449 1.00 1.21 C ATOM 1824 CD GLU A 120 -8.401 -0.001 14.693 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -7.659 -0.580 13.869 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -9.570 -0.369 14.934 1.00 1.93 O ATOM 0 H GLU A 120 -8.445 4.277 15.664 1.00 0.77 H new ATOM 0 HA GLU A 120 -6.021 2.917 16.024 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -8.343 2.817 14.138 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -6.891 1.946 13.687 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -6.987 0.882 16.034 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -8.603 1.549 16.155 1.00 1.21 H new ATOM 1833 N VAL A 121 -6.092 4.961 13.419 1.00 0.84 N ATOM 1834 CA VAL A 121 -5.251 5.668 12.502 1.00 0.92 C ATOM 1835 C VAL A 121 -4.587 6.880 13.156 1.00 0.88 C ATOM 1836 O VAL A 121 -3.599 7.381 12.631 1.00 0.93 O ATOM 1837 CB VAL A 121 -5.989 6.041 11.202 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -6.408 7.485 11.180 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -5.089 5.745 10.036 1.00 2.24 C ATOM 0 H VAL A 121 -7.077 5.221 13.371 1.00 0.84 H new ATOM 0 HA VAL A 121 -4.451 4.984 12.218 1.00 0.92 H new ATOM 0 HB VAL A 121 -6.901 5.447 11.142 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -6.924 7.700 10.244 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -7.077 7.682 12.017 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -5.527 8.121 11.263 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -5.599 6.004 9.108 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -4.175 6.332 10.124 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -4.840 4.684 10.029 1.00 2.24 H new ATOM 1849 N ASP A 122 -5.132 7.352 14.294 1.00 0.86 N ATOM 1850 CA ASP A 122 -4.543 8.497 14.996 1.00 0.95 C ATOM 1851 C ASP A 122 -3.230 8.085 15.654 1.00 0.84 C ATOM 1852 O ASP A 122 -2.361 8.918 15.920 1.00 0.89 O ATOM 1853 CB ASP A 122 -5.516 9.075 16.029 1.00 1.08 C ATOM 1854 CG ASP A 122 -5.260 10.543 16.323 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -5.849 11.399 15.630 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -4.470 10.835 17.245 1.00 1.76 O ATOM 0 H ASP A 122 -5.965 6.963 14.737 1.00 0.86 H new ATOM 0 HA ASP A 122 -4.338 9.281 14.267 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -6.537 8.955 15.667 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -5.437 8.505 16.955 1.00 1.08 H new ATOM 1861 N GLU A 123 -3.121 6.785 15.922 1.00 0.75 N ATOM 1862 CA GLU A 123 -1.923 6.199 16.485 1.00 0.73 C ATOM 1863 C GLU A 123 -0.966 5.821 15.372 1.00 0.65 C ATOM 1864 O GLU A 123 0.237 6.049 15.487 1.00 0.65 O ATOM 1865 CB GLU A 123 -2.251 4.981 17.352 1.00 0.78 C ATOM 1866 CG GLU A 123 -2.728 5.337 18.751 1.00 0.92 C ATOM 1867 CD GLU A 123 -3.048 4.113 19.587 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -2.136 3.612 20.278 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -4.210 3.657 19.552 1.00 1.87 O ATOM 0 H GLU A 123 -3.869 6.112 15.751 1.00 0.75 H new ATOM 0 HA GLU A 123 -1.448 6.939 17.129 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -3.020 4.389 16.855 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -1.364 4.352 17.429 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -1.960 5.925 19.254 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -3.616 5.966 18.679 1.00 0.92 H new ATOM 1876 N MET A 124 -1.518 5.257 14.280 1.00 0.63 N ATOM 1877 CA MET A 124 -0.715 4.892 13.108 1.00 0.64 C ATOM 1878 C MET A 124 -0.203 6.158 12.443 1.00 0.64 C ATOM 1879 O MET A 124 0.818 6.147 11.757 1.00 0.67 O ATOM 1880 CB MET A 124 -1.515 4.062 12.093 1.00 0.70 C ATOM 1881 CG MET A 124 -2.079 2.760 12.645 1.00 1.18 C ATOM 1882 SD MET A 124 -2.687 1.662 11.350 1.00 2.12 S ATOM 1883 CE MET A 124 -3.260 0.274 12.324 1.00 2.40 C ATOM 0 H MET A 124 -2.512 5.047 14.190 1.00 0.63 H new ATOM 0 HA MET A 124 0.117 4.276 13.449 1.00 0.64 H new ATOM 0 HB2 MET A 124 -2.338 4.668 11.716 1.00 0.70 H new ATOM 0 HB3 MET A 124 -0.872 3.833 11.243 1.00 0.70 H new ATOM 0 HG2 MET A 124 -1.306 2.247 13.217 1.00 1.18 H new ATOM 0 HG3 MET A 124 -2.891 2.985 13.336 1.00 1.18 H new ATOM 0 HE1 MET A 124 -3.666 -0.492 11.663 1.00 2.40 H new ATOM 0 HE2 MET A 124 -2.427 -0.141 12.891 1.00 2.40 H new ATOM 0 HE3 MET A 124 -4.037 0.608 13.012 1.00 2.40 H new ATOM 1893 N ILE A 125 -0.926 7.258 12.692 1.00 0.65 N ATOM 1894 CA ILE A 125 -0.566 8.565 12.182 1.00 0.70 C ATOM 1895 C ILE A 125 0.532 9.152 13.067 1.00 0.66 C ATOM 1896 O ILE A 125 1.439 9.835 12.584 1.00 0.68 O ATOM 1897 CB ILE A 125 -1.809 9.495 12.151 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -1.864 10.301 10.852 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -1.853 10.433 13.357 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -2.619 9.609 9.734 1.00 0.70 C ATOM 0 H ILE A 125 -1.777 7.255 13.255 1.00 0.65 H new ATOM 0 HA ILE A 125 -0.196 8.474 11.161 1.00 0.70 H new ATOM 0 HB ILE A 125 -2.686 8.849 12.199 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -2.333 11.264 11.053 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -0.847 10.505 10.519 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -2.739 11.065 13.294 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -1.891 9.845 14.274 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -0.960 11.059 13.364 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -2.615 10.242 8.846 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -2.138 8.658 9.504 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -3.648 9.429 10.047 1.00 0.70 H new ATOM 1912 N ARG A 126 0.423 8.865 14.384 1.00 0.65 N ATOM 1913 CA ARG A 126 1.397 9.337 15.354 1.00 0.68 C ATOM 1914 C ARG A 126 2.636 8.479 15.361 1.00 0.64 C ATOM 1915 O ARG A 126 3.664 8.819 15.957 1.00 0.69 O ATOM 1916 CB ARG A 126 0.799 9.488 16.756 1.00 0.76 C ATOM 1917 CG ARG A 126 -0.090 10.712 16.914 1.00 1.02 C ATOM 1918 CD ARG A 126 -0.615 10.841 18.334 1.00 1.07 C ATOM 1919 NE ARG A 126 -1.464 12.025 18.501 1.00 1.63 N ATOM 1920 CZ ARG A 126 -1.863 12.520 19.683 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -1.498 11.946 20.828 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -2.632 13.599 19.714 1.00 2.58 N ATOM 0 H ARG A 126 -0.333 8.309 14.784 1.00 0.65 H new ATOM 0 HA ARG A 126 1.696 10.336 15.037 1.00 0.68 H new ATOM 0 HB2 ARG A 126 0.219 8.596 16.992 1.00 0.76 H new ATOM 0 HB3 ARG A 126 1.609 9.542 17.483 1.00 0.76 H new ATOM 0 HG2 ARG A 126 0.473 11.608 16.650 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -0.928 10.646 16.220 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -1.184 9.948 18.593 1.00 1.07 H new ATOM 0 HD3 ARG A 126 0.224 10.896 19.027 1.00 1.07 H new ATOM 0 HE ARG A 126 -1.774 12.507 17.657 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -0.905 11.116 20.816 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -1.811 12.337 21.717 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -2.917 14.048 18.843 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -2.939 13.981 20.609 1.00 2.58 H new ATOM 1936 N GLU A 127 2.499 7.369 14.677 1.00 0.59 N ATOM 1937 CA GLU A 127 3.573 6.397 14.488 1.00 0.59 C ATOM 1938 C GLU A 127 4.636 6.972 13.544 1.00 0.59 C ATOM 1939 O GLU A 127 5.670 6.343 13.294 1.00 0.63 O ATOM 1940 CB GLU A 127 3.014 5.090 13.921 1.00 0.61 C ATOM 1941 CG GLU A 127 2.434 4.159 14.977 1.00 0.66 C ATOM 1942 CD GLU A 127 2.146 2.773 14.435 1.00 1.28 C ATOM 1943 OE1 GLU A 127 1.020 2.549 13.944 1.00 1.91 O ATOM 1944 OE2 GLU A 127 3.048 1.912 14.501 1.00 2.06 O ATOM 0 H GLU A 127 1.625 7.102 14.224 1.00 0.59 H new ATOM 0 HA GLU A 127 4.032 6.187 15.454 1.00 0.59 H new ATOM 0 HB2 GLU A 127 2.239 5.324 13.191 1.00 0.61 H new ATOM 0 HB3 GLU A 127 3.808 4.568 13.387 1.00 0.61 H new ATOM 0 HG2 GLU A 127 3.132 4.082 15.811 1.00 0.66 H new ATOM 0 HG3 GLU A 127 1.513 4.590 15.370 1.00 0.66 H new ATOM 1951 N ALA A 128 4.360 8.191 13.032 1.00 0.59 N ATOM 1952 CA ALA A 128 5.261 8.868 12.094 1.00 0.64 C ATOM 1953 C ALA A 128 5.319 10.390 12.312 1.00 0.63 C ATOM 1954 O ALA A 128 5.932 11.105 11.509 1.00 0.65 O ATOM 1955 CB ALA A 128 4.839 8.560 10.663 1.00 0.72 C ATOM 0 H ALA A 128 3.518 8.721 13.257 1.00 0.59 H new ATOM 0 HA ALA A 128 6.265 8.486 12.280 1.00 0.64 H new ATOM 0 HB1 ALA A 128 5.511 9.065 9.969 1.00 0.72 H new ATOM 0 HB2 ALA A 128 4.884 7.484 10.494 1.00 0.72 H new ATOM 0 HB3 ALA A 128 3.820 8.910 10.501 1.00 0.72 H new ATOM 1961 N ALA A 129 4.703 10.892 13.402 1.00 0.67 N ATOM 1962 CA ALA A 129 4.702 12.338 13.697 1.00 0.72 C ATOM 1963 C ALA A 129 6.120 12.866 13.929 1.00 0.77 C ATOM 1964 O ALA A 129 6.769 12.531 14.928 1.00 0.86 O ATOM 1965 CB ALA A 129 3.820 12.655 14.901 1.00 0.83 C ATOM 0 H ALA A 129 4.205 10.323 14.086 1.00 0.67 H new ATOM 0 HA ALA A 129 4.290 12.842 12.823 1.00 0.72 H new ATOM 0 HB1 ALA A 129 3.839 13.728 15.094 1.00 0.83 H new ATOM 0 HB2 ALA A 129 2.797 12.342 14.695 1.00 0.83 H new ATOM 0 HB3 ALA A 129 4.193 12.122 15.776 1.00 0.83 H new ATOM 1971 N ILE A 130 6.591 13.679 12.982 1.00 0.77 N ATOM 1972 CA ILE A 130 7.925 14.270 13.060 1.00 0.87 C ATOM 1973 C ILE A 130 7.836 15.739 13.415 1.00 1.01 C ATOM 1974 O ILE A 130 6.955 16.461 12.943 1.00 1.27 O ATOM 1975 CB ILE A 130 8.760 14.044 11.759 1.00 0.91 C ATOM 1976 CG1 ILE A 130 10.075 14.847 11.735 1.00 1.07 C ATOM 1977 CG2 ILE A 130 7.949 14.322 10.491 1.00 1.28 C ATOM 1978 CD1 ILE A 130 11.244 14.106 12.350 1.00 1.57 C ATOM 0 H ILE A 130 6.065 13.943 12.149 1.00 0.77 H new ATOM 0 HA ILE A 130 8.460 13.755 13.857 1.00 0.87 H new ATOM 0 HB ILE A 130 9.023 12.986 11.773 1.00 0.91 H new ATOM 0 HG12 ILE A 130 10.318 15.101 10.703 1.00 1.07 H new ATOM 0 HG13 ILE A 130 9.928 15.786 12.269 1.00 1.07 H new ATOM 0 HG21 ILE A 130 8.574 14.151 9.615 1.00 1.28 H new ATOM 0 HG22 ILE A 130 7.087 13.656 10.457 1.00 1.28 H new ATOM 0 HG23 ILE A 130 7.608 15.357 10.497 1.00 1.28 H new ATOM 0 HD11 ILE A 130 12.137 14.729 12.300 1.00 1.57 H new ATOM 0 HD12 ILE A 130 11.021 13.875 13.392 1.00 1.57 H new ATOM 0 HD13 ILE A 130 11.417 13.180 11.802 1.00 1.57 H new ATOM 1990 N ASP A 131 8.820 16.155 14.216 1.00 1.22 N ATOM 1991 CA ASP A 131 8.953 17.534 14.757 1.00 1.45 C ATOM 1992 C ASP A 131 7.718 17.995 15.560 1.00 1.44 C ATOM 1993 O ASP A 131 7.841 18.728 16.546 1.00 1.64 O ATOM 1994 CB ASP A 131 9.257 18.518 13.622 1.00 1.64 C ATOM 1995 CG ASP A 131 10.007 19.754 14.089 1.00 2.27 C ATOM 1996 OD1 ASP A 131 11.255 19.726 14.092 1.00 2.70 O ATOM 1997 OD2 ASP A 131 9.344 20.750 14.450 1.00 2.90 O ATOM 0 H ASP A 131 9.571 15.536 14.521 1.00 1.22 H new ATOM 0 HA ASP A 131 9.785 17.518 15.460 1.00 1.45 H new ATOM 0 HB2 ASP A 131 9.845 18.011 12.857 1.00 1.64 H new ATOM 0 HB3 ASP A 131 8.321 18.823 13.154 1.00 1.64 H new ATOM 2002 N GLY A 132 6.555 17.547 15.111 1.00 1.31 N ATOM 2003 CA GLY A 132 5.282 17.878 15.732 1.00 1.35 C ATOM 2004 C GLY A 132 4.236 18.296 14.709 1.00 1.46 C ATOM 2005 O GLY A 132 3.048 18.381 15.033 1.00 1.75 O ATOM 0 H GLY A 132 6.468 16.938 14.298 1.00 1.31 H new ATOM 0 HA2 GLY A 132 4.917 17.016 16.291 1.00 1.35 H new ATOM 0 HA3 GLY A 132 5.429 18.685 16.450 1.00 1.35 H new ATOM 2009 N ASP A 133 4.687 18.557 13.469 1.00 1.34 N ATOM 2010 CA ASP A 133 3.797 18.947 12.368 1.00 1.49 C ATOM 2011 C ASP A 133 3.248 17.700 11.669 1.00 1.37 C ATOM 2012 O ASP A 133 2.040 17.598 11.431 1.00 1.69 O ATOM 2013 CB ASP A 133 4.535 19.844 11.364 1.00 1.52 C ATOM 2014 CG ASP A 133 4.849 21.217 11.928 1.00 1.94 C ATOM 2015 OD1 ASP A 133 5.933 21.380 12.527 1.00 2.14 O ATOM 2016 OD2 ASP A 133 4.011 22.130 11.770 1.00 2.60 O ATOM 0 H ASP A 133 5.671 18.503 13.206 1.00 1.34 H new ATOM 0 HA ASP A 133 2.963 19.515 12.781 1.00 1.49 H new ATOM 0 HB2 ASP A 133 5.463 19.358 11.063 1.00 1.52 H new ATOM 0 HB3 ASP A 133 3.927 19.955 10.466 1.00 1.52 H new ATOM 2021 N GLY A 134 4.151 16.762 11.346 1.00 1.04 N ATOM 2022 CA GLY A 134 3.754 15.512 10.717 1.00 1.15 C ATOM 2023 C GLY A 134 4.043 15.418 9.227 1.00 1.03 C ATOM 2024 O GLY A 134 3.774 14.371 8.631 1.00 1.25 O ATOM 0 H GLY A 134 5.153 16.853 11.512 1.00 1.04 H new ATOM 0 HA2 GLY A 134 4.263 14.691 11.222 1.00 1.15 H new ATOM 0 HA3 GLY A 134 2.685 15.368 10.874 1.00 1.15 H new ATOM 2028 N GLN A 135 4.595 16.481 8.610 1.00 0.84 N ATOM 2029 CA GLN A 135 4.897 16.438 7.169 1.00 0.77 C ATOM 2030 C GLN A 135 6.209 15.719 6.889 1.00 0.74 C ATOM 2031 O GLN A 135 7.208 15.937 7.581 1.00 0.80 O ATOM 2032 CB GLN A 135 4.875 17.821 6.486 1.00 0.80 C ATOM 2033 CG GLN A 135 5.392 19.001 7.314 1.00 1.03 C ATOM 2034 CD GLN A 135 6.897 18.983 7.524 1.00 1.40 C ATOM 2035 OE1 GLN A 135 7.658 19.472 6.689 1.00 2.05 O ATOM 2036 NE2 GLN A 135 7.332 18.431 8.651 1.00 1.98 N ATOM 0 H GLN A 135 4.835 17.357 9.073 1.00 0.84 H new ATOM 0 HA GLN A 135 4.084 15.864 6.724 1.00 0.77 H new ATOM 0 HB2 GLN A 135 5.467 17.760 5.573 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.849 18.037 6.187 1.00 0.80 H new ATOM 0 HG2 GLN A 135 5.114 19.931 6.819 1.00 1.03 H new ATOM 0 HG3 GLN A 135 4.898 18.997 8.286 1.00 1.03 H new ATOM 0 HE21 GLN A 135 6.666 18.037 9.316 1.00 1.98 H new ATOM 0 HE22 GLN A 135 8.332 18.401 8.851 1.00 1.98 H new ATOM 2045 N VAL A 136 6.188 14.854 5.869 1.00 0.69 N ATOM 2046 CA VAL A 136 7.380 14.068 5.507 1.00 0.68 C ATOM 2047 C VAL A 136 7.669 14.101 4.008 1.00 0.64 C ATOM 2048 O VAL A 136 6.757 13.982 3.185 1.00 0.67 O ATOM 2049 CB VAL A 136 7.304 12.592 5.996 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.639 12.508 7.476 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.940 11.957 5.728 1.00 0.88 C ATOM 0 H VAL A 136 5.371 14.679 5.284 1.00 0.69 H new ATOM 0 HA VAL A 136 8.206 14.553 6.028 1.00 0.68 H new ATOM 0 HB VAL A 136 8.040 12.028 5.424 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.582 11.470 7.804 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.648 12.886 7.643 1.00 0.91 H new ATOM 0 HG13 VAL A 136 6.928 13.108 8.045 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.941 10.928 6.088 1.00 0.88 H new ATOM 0 HG22 VAL A 136 5.167 12.523 6.248 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.738 11.966 4.657 1.00 0.88 H new ATOM 2061 N ASN A 137 8.953 14.266 3.678 1.00 0.63 N ATOM 2062 CA ASN A 137 9.410 14.331 2.298 1.00 0.62 C ATOM 2063 C ASN A 137 9.981 12.978 1.833 1.00 0.59 C ATOM 2064 O ASN A 137 9.801 11.955 2.499 1.00 0.59 O ATOM 2065 CB ASN A 137 10.456 15.448 2.182 1.00 0.66 C ATOM 2066 CG ASN A 137 10.493 16.098 0.809 1.00 0.80 C ATOM 2067 OD1 ASN A 137 9.703 16.995 0.515 1.00 1.18 O ATOM 2068 ND2 ASN A 137 11.419 15.656 -0.034 1.00 1.45 N ATOM 0 H ASN A 137 9.701 14.358 4.365 1.00 0.63 H new ATOM 0 HA ASN A 137 8.566 14.554 1.645 1.00 0.62 H new ATOM 0 HB2 ASN A 137 10.247 16.211 2.932 1.00 0.66 H new ATOM 0 HB3 ASN A 137 11.441 15.039 2.409 1.00 0.66 H new ATOM 0 HD21 ASN A 137 11.495 16.062 -0.966 1.00 1.45 H new ATOM 0 HD22 ASN A 137 12.054 14.910 0.251 1.00 1.45 H new ATOM 2075 N TYR A 138 10.669 12.999 0.677 1.00 0.62 N ATOM 2076 CA TYR A 138 11.292 11.816 0.056 1.00 0.66 C ATOM 2077 C TYR A 138 12.272 11.077 0.995 1.00 0.61 C ATOM 2078 O TYR A 138 12.590 9.913 0.757 1.00 0.67 O ATOM 2079 CB TYR A 138 11.972 12.258 -1.259 1.00 0.75 C ATOM 2080 CG TYR A 138 12.902 11.246 -1.909 1.00 1.21 C ATOM 2081 CD1 TYR A 138 12.414 10.294 -2.793 1.00 1.93 C ATOM 2082 CD2 TYR A 138 14.266 11.255 -1.640 1.00 2.03 C ATOM 2083 CE1 TYR A 138 13.259 9.379 -3.390 1.00 2.59 C ATOM 2084 CE2 TYR A 138 15.116 10.342 -2.233 1.00 2.76 C ATOM 2085 CZ TYR A 138 14.608 9.406 -3.107 1.00 2.81 C ATOM 2086 OH TYR A 138 15.450 8.495 -3.702 1.00 3.66 O ATOM 0 H TYR A 138 10.810 13.854 0.139 1.00 0.62 H new ATOM 0 HA TYR A 138 10.512 11.085 -0.157 1.00 0.66 H new ATOM 0 HB2 TYR A 138 11.194 12.518 -1.976 1.00 0.75 H new ATOM 0 HB3 TYR A 138 12.540 13.167 -1.062 1.00 0.75 H new ATOM 0 HD1 TYR A 138 11.358 10.268 -3.017 1.00 1.93 H new ATOM 0 HD2 TYR A 138 14.668 11.988 -0.956 1.00 2.03 H new ATOM 0 HE1 TYR A 138 12.864 8.645 -4.076 1.00 2.59 H new ATOM 0 HE2 TYR A 138 16.173 10.362 -2.013 1.00 2.76 H new ATOM 0 HH TYR A 138 16.368 8.650 -3.397 1.00 3.66 H new ATOM 2096 N GLU A 139 12.748 11.758 2.044 1.00 0.57 N ATOM 2097 CA GLU A 139 13.700 11.168 2.996 1.00 0.60 C ATOM 2098 C GLU A 139 13.066 10.097 3.907 1.00 0.54 C ATOM 2099 O GLU A 139 13.594 8.985 4.004 1.00 0.57 O ATOM 2100 CB GLU A 139 14.343 12.267 3.853 1.00 0.68 C ATOM 2101 CG GLU A 139 15.361 13.116 3.104 1.00 0.89 C ATOM 2102 CD GLU A 139 15.975 14.193 3.976 1.00 1.36 C ATOM 2103 OE1 GLU A 139 15.417 15.310 4.022 1.00 2.24 O ATOM 2104 OE2 GLU A 139 17.014 13.921 4.614 1.00 1.61 O ATOM 0 H GLU A 139 12.489 12.721 2.257 1.00 0.57 H new ATOM 0 HA GLU A 139 14.461 10.665 2.400 1.00 0.60 H new ATOM 0 HB2 GLU A 139 13.559 12.916 4.242 1.00 0.68 H new ATOM 0 HB3 GLU A 139 14.831 11.806 4.712 1.00 0.68 H new ATOM 0 HG2 GLU A 139 16.151 12.472 2.717 1.00 0.89 H new ATOM 0 HG3 GLU A 139 14.879 13.581 2.244 1.00 0.89 H new ATOM 2111 N GLU A 140 11.943 10.431 4.566 1.00 0.51 N ATOM 2112 CA GLU A 140 11.280 9.501 5.495 1.00 0.52 C ATOM 2113 C GLU A 140 10.226 8.610 4.838 1.00 0.47 C ATOM 2114 O GLU A 140 10.184 7.408 5.117 1.00 0.49 O ATOM 2115 CB GLU A 140 10.655 10.268 6.665 1.00 0.59 C ATOM 2116 CG GLU A 140 11.671 10.805 7.663 1.00 1.02 C ATOM 2117 CD GLU A 140 11.023 11.558 8.808 1.00 1.31 C ATOM 2118 OE1 GLU A 140 10.840 12.787 8.681 1.00 1.91 O ATOM 2119 OE2 GLU A 140 10.698 10.920 9.831 1.00 2.02 O ATOM 0 H GLU A 140 11.478 11.334 4.473 1.00 0.51 H new ATOM 0 HA GLU A 140 12.064 8.835 5.855 1.00 0.52 H new ATOM 0 HB2 GLU A 140 10.072 11.101 6.271 1.00 0.59 H new ATOM 0 HB3 GLU A 140 9.959 9.611 7.187 1.00 0.59 H new ATOM 0 HG2 GLU A 140 12.255 9.976 8.063 1.00 1.02 H new ATOM 0 HG3 GLU A 140 12.367 11.466 7.147 1.00 1.02 H new ATOM 2126 N PHE A 141 9.376 9.183 3.968 1.00 0.45 N ATOM 2127 CA PHE A 141 8.305 8.409 3.309 1.00 0.43 C ATOM 2128 C PHE A 141 8.852 7.354 2.332 1.00 0.41 C ATOM 2129 O PHE A 141 8.104 6.483 1.876 1.00 0.44 O ATOM 2130 CB PHE A 141 7.311 9.341 2.609 1.00 0.45 C ATOM 2131 CG PHE A 141 5.870 8.907 2.730 1.00 0.69 C ATOM 2132 CD1 PHE A 141 5.188 8.413 1.629 1.00 1.33 C ATOM 2133 CD2 PHE A 141 5.196 8.995 3.942 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.868 8.017 1.732 1.00 1.59 C ATOM 2135 CE2 PHE A 141 3.876 8.600 4.050 1.00 1.88 C ATOM 2136 CZ PHE A 141 3.211 8.111 2.943 1.00 1.54 C ATOM 0 H PHE A 141 9.407 10.168 3.706 1.00 0.45 H new ATOM 0 HA PHE A 141 7.780 7.866 4.094 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.414 10.343 3.025 1.00 0.45 H new ATOM 0 HB3 PHE A 141 7.572 9.406 1.553 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.695 8.337 0.678 1.00 1.33 H new ATOM 0 HD2 PHE A 141 5.711 9.377 4.811 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.350 7.634 0.865 1.00 1.59 H new ATOM 0 HE2 PHE A 141 3.365 8.674 4.999 1.00 1.88 H new ATOM 0 HZ PHE A 141 2.179 7.803 3.024 1.00 1.54 H new ATOM 2146 N VAL A 142 10.159 7.439 2.018 1.00 0.42 N ATOM 2147 CA VAL A 142 10.825 6.458 1.149 1.00 0.44 C ATOM 2148 C VAL A 142 11.190 5.232 1.964 1.00 0.46 C ATOM 2149 O VAL A 142 11.124 4.114 1.462 1.00 0.48 O ATOM 2150 CB VAL A 142 12.095 7.039 0.476 1.00 0.48 C ATOM 2151 CG1 VAL A 142 13.262 6.046 0.468 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.793 7.512 -0.945 1.00 0.50 C ATOM 0 H VAL A 142 10.773 8.180 2.356 1.00 0.42 H new ATOM 0 HA VAL A 142 10.130 6.190 0.353 1.00 0.44 H new ATOM 0 HB VAL A 142 12.401 7.895 1.077 1.00 0.48 H new ATOM 0 HG11 VAL A 142 14.126 6.503 -0.015 1.00 0.53 H new ATOM 0 HG12 VAL A 142 13.519 5.778 1.493 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.973 5.149 -0.080 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.700 7.915 -1.395 1.00 0.50 H new ATOM 0 HG22 VAL A 142 11.436 6.672 -1.540 1.00 0.50 H new ATOM 0 HG23 VAL A 142 11.027 8.287 -0.915 1.00 0.50 H new ATOM 2162 N GLN A 143 11.597 5.464 3.224 1.00 0.49 N ATOM 2163 CA GLN A 143 11.949 4.384 4.136 1.00 0.54 C ATOM 2164 C GLN A 143 10.737 3.476 4.352 1.00 0.52 C ATOM 2165 O GLN A 143 10.873 2.271 4.578 1.00 0.57 O ATOM 2166 CB GLN A 143 12.444 4.968 5.454 1.00 0.59 C ATOM 2167 CG GLN A 143 13.424 4.076 6.207 1.00 0.64 C ATOM 2168 CD GLN A 143 13.893 4.696 7.509 1.00 0.89 C ATOM 2169 OE1 GLN A 143 13.284 4.497 8.560 1.00 1.62 O ATOM 2170 NE2 GLN A 143 14.983 5.452 7.445 1.00 1.55 N ATOM 0 H GLN A 143 11.688 6.397 3.627 1.00 0.49 H new ATOM 0 HA GLN A 143 12.751 3.784 3.706 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.922 5.927 5.256 1.00 0.59 H new ATOM 0 HB3 GLN A 143 11.585 5.167 6.095 1.00 0.59 H new ATOM 0 HG2 GLN A 143 12.950 3.117 6.415 1.00 0.64 H new ATOM 0 HG3 GLN A 143 14.287 3.874 5.573 1.00 0.64 H new ATOM 0 HE21 GLN A 143 15.456 5.590 6.552 1.00 1.55 H new ATOM 0 HE22 GLN A 143 15.347 5.895 8.289 1.00 1.55 H new ATOM 2179 N MET A 144 9.551 4.099 4.276 1.00 0.49 N ATOM 2180 CA MET A 144 8.273 3.408 4.356 1.00 0.49 C ATOM 2181 C MET A 144 8.127 2.527 3.111 1.00 0.51 C ATOM 2182 O MET A 144 7.455 1.491 3.134 1.00 0.58 O ATOM 2183 CB MET A 144 7.138 4.453 4.415 1.00 0.52 C ATOM 2184 CG MET A 144 5.731 3.896 4.664 1.00 0.93 C ATOM 2185 SD MET A 144 4.616 5.131 5.364 1.00 2.33 S ATOM 2186 CE MET A 144 5.162 5.183 7.073 1.00 3.20 C ATOM 0 H MET A 144 9.461 5.108 4.156 1.00 0.49 H new ATOM 0 HA MET A 144 8.221 2.786 5.250 1.00 0.49 H new ATOM 0 HB2 MET A 144 7.370 5.169 5.203 1.00 0.52 H new ATOM 0 HB3 MET A 144 7.129 5.005 3.475 1.00 0.52 H new ATOM 0 HG2 MET A 144 5.318 3.528 3.725 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.795 3.043 5.340 1.00 0.93 H new ATOM 0 HE1 MET A 144 4.505 5.838 7.645 1.00 3.20 H new ATOM 0 HE2 MET A 144 5.131 4.179 7.496 1.00 3.20 H new ATOM 0 HE3 MET A 144 6.182 5.564 7.118 1.00 3.20 H new ATOM 2196 N MET A 145 8.783 2.978 2.028 1.00 0.49 N ATOM 2197 CA MET A 145 8.764 2.284 0.746 1.00 0.56 C ATOM 2198 C MET A 145 9.922 1.284 0.597 1.00 0.62 C ATOM 2199 O MET A 145 9.774 0.280 -0.107 1.00 0.75 O ATOM 2200 CB MET A 145 8.782 3.308 -0.395 1.00 0.58 C ATOM 2201 CG MET A 145 7.603 4.271 -0.358 1.00 1.52 C ATOM 2202 SD MET A 145 7.562 5.402 -1.756 1.00 2.50 S ATOM 2203 CE MET A 145 6.251 6.500 -1.227 1.00 3.22 C ATOM 0 H MET A 145 9.338 3.834 2.025 1.00 0.49 H new ATOM 0 HA MET A 145 7.844 1.701 0.701 1.00 0.56 H new ATOM 0 HB2 MET A 145 9.710 3.878 -0.348 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.781 2.780 -1.348 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.676 3.698 -0.336 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.643 4.848 0.566 1.00 1.52 H new ATOM 0 HE1 MET A 145 5.432 6.462 -1.946 1.00 3.22 H new ATOM 0 HE2 MET A 145 5.889 6.188 -0.247 1.00 3.22 H new ATOM 0 HE3 MET A 145 6.633 7.519 -1.165 1.00 3.22 H new ATOM 2213 N THR A 146 11.073 1.552 1.254 1.00 0.59 N ATOM 2214 CA THR A 146 12.238 0.675 1.168 1.00 0.68 C ATOM 2215 C THR A 146 12.149 -0.517 2.127 1.00 0.78 C ATOM 2216 O THR A 146 12.734 -1.573 1.867 1.00 0.89 O ATOM 2217 CB THR A 146 13.549 1.434 1.467 1.00 0.69 C ATOM 2218 OG1 THR A 146 13.277 2.693 2.089 1.00 0.63 O ATOM 2219 CG2 THR A 146 14.365 1.661 0.202 1.00 0.71 C ATOM 0 H THR A 146 11.209 2.371 1.847 1.00 0.59 H new ATOM 0 HA THR A 146 12.246 0.308 0.142 1.00 0.68 H new ATOM 0 HB THR A 146 14.130 0.813 2.148 1.00 0.69 H new ATOM 0 HG1 THR A 146 12.693 3.225 1.509 1.00 0.63 H new ATOM 0 HG21 THR A 146 15.280 2.198 0.451 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.618 0.700 -0.245 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.781 2.248 -0.507 1.00 0.71 H new ATOM 2227 N ALA A 147 11.415 -0.333 3.229 1.00 0.77 N ATOM 2228 CA ALA A 147 11.229 -1.371 4.231 1.00 0.88 C ATOM 2229 C ALA A 147 9.995 -2.222 3.936 1.00 0.94 C ATOM 2230 O ALA A 147 8.954 -1.697 3.531 1.00 0.91 O ATOM 2231 CB ALA A 147 11.127 -0.752 5.617 1.00 0.90 C ATOM 0 H ALA A 147 10.936 0.541 3.445 1.00 0.77 H new ATOM 0 HA ALA A 147 12.099 -2.027 4.197 1.00 0.88 H new ATOM 0 HB1 ALA A 147 10.988 -1.539 6.358 1.00 0.90 H new ATOM 0 HB2 ALA A 147 12.042 -0.203 5.838 1.00 0.90 H new ATOM 0 HB3 ALA A 147 10.278 -0.070 5.649 1.00 0.90 H new ATOM 2237 N LYS A 148 10.129 -3.535 4.145 1.00 1.08 N ATOM 2238 CA LYS A 148 9.036 -4.480 3.907 1.00 1.19 C ATOM 2239 C LYS A 148 8.351 -4.860 5.220 1.00 1.63 C ATOM 2240 O LYS A 148 9.034 -5.413 6.110 1.00 2.21 O ATOM 2241 CB LYS A 148 9.554 -5.741 3.192 1.00 1.53 C ATOM 2242 CG LYS A 148 9.938 -5.523 1.730 1.00 2.17 C ATOM 2243 CD LYS A 148 11.371 -5.026 1.586 1.00 2.29 C ATOM 2244 CE LYS A 148 11.743 -4.815 0.127 1.00 3.11 C ATOM 2245 NZ LYS A 148 13.145 -4.336 -0.025 1.00 3.56 N ATOM 2246 OXT LYS A 148 7.136 -4.600 5.347 1.00 2.14 O ATOM 0 H LYS A 148 10.989 -3.969 4.480 1.00 1.08 H new ATOM 0 HA LYS A 148 8.303 -3.992 3.264 1.00 1.19 H new ATOM 0 HB2 LYS A 148 10.423 -6.119 3.731 1.00 1.53 H new ATOM 0 HB3 LYS A 148 8.787 -6.514 3.242 1.00 1.53 H new ATOM 0 HG2 LYS A 148 9.821 -6.457 1.181 1.00 2.17 H new ATOM 0 HG3 LYS A 148 9.257 -4.801 1.280 1.00 2.17 H new ATOM 0 HD2 LYS A 148 11.489 -4.090 2.132 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.054 -5.746 2.036 1.00 2.29 H new ATOM 0 HE2 LYS A 148 11.618 -5.750 -0.418 1.00 3.11 H new ATOM 0 HE3 LYS A 148 11.062 -4.091 -0.320 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 13.343 -4.156 -1.030 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 13.272 -3.457 0.516 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 13.800 -5.060 0.333 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 -7.361 4.058 28.920 1.00 0.00 N ATOM 2262 CA ALA B 503 -6.296 4.383 29.903 1.00 0.00 C ATOM 2263 C ALA B 503 -6.174 3.290 30.959 1.00 0.00 C ATOM 2264 O ALA B 503 -7.180 2.713 31.383 1.00 0.00 O ATOM 2265 CB ALA B 503 -6.580 5.724 30.563 1.00 0.00 C ATOM 0 HA ALA B 503 -5.348 4.445 29.368 1.00 0.00 H new ATOM 0 HB1 ALA B 503 -5.792 5.950 31.281 1.00 0.00 H new ATOM 0 HB2 ALA B 503 -6.613 6.504 29.802 1.00 0.00 H new ATOM 0 HB3 ALA B 503 -7.539 5.680 31.079 1.00 0.00 H new ATOM 2273 N GLY B 504 -4.933 3.016 31.374 1.00 0.00 N ATOM 2274 CA GLY B 504 -4.676 1.994 32.378 1.00 0.00 C ATOM 2275 C GLY B 504 -3.291 1.391 32.252 1.00 0.00 C ATOM 2276 O GLY B 504 -2.319 2.109 31.996 1.00 0.00 O ATOM 0 H GLY B 504 -4.098 3.489 31.028 1.00 0.00 H new ATOM 0 HA2 GLY B 504 -4.791 2.428 33.371 1.00 0.00 H new ATOM 0 HA3 GLY B 504 -5.422 1.204 32.287 1.00 0.00 H new ATOM 2280 N HIS B 505 -3.207 0.070 32.434 1.00 0.00 N ATOM 2281 CA HIS B 505 -1.939 -0.653 32.344 1.00 0.00 C ATOM 2282 C HIS B 505 -1.821 -1.364 30.996 1.00 0.00 C ATOM 2283 O HIS B 505 -2.739 -2.079 30.582 1.00 0.00 O ATOM 2284 CB HIS B 505 -1.827 -1.665 33.491 1.00 0.00 C ATOM 2285 CG HIS B 505 -0.415 -2.018 33.857 1.00 0.00 C ATOM 2286 ND1 HIS B 505 0.207 -3.173 33.431 1.00 0.00 N ATOM 2287 CD2 HIS B 505 0.495 -1.360 34.616 1.00 0.00 C ATOM 2288 CE1 HIS B 505 1.437 -3.211 33.912 1.00 0.00 C ATOM 2289 NE2 HIS B 505 1.636 -2.123 34.633 1.00 0.00 N ATOM 0 H HIS B 505 -4.010 -0.523 32.646 1.00 0.00 H new ATOM 0 HA HIS B 505 -1.123 0.065 32.426 1.00 0.00 H new ATOM 0 HB2 HIS B 505 -2.329 -1.260 34.370 1.00 0.00 H new ATOM 0 HB3 HIS B 505 -2.358 -2.575 33.212 1.00 0.00 H new ATOM 0 HD2 HIS B 505 0.350 -0.413 35.114 1.00 0.00 H new ATOM 0 HE1 HIS B 505 2.157 -3.998 33.744 1.00 0.00 H new ATOM 0 HE2 HIS B 505 2.499 -1.887 35.124 1.00 0.00 H new ATOM 2298 N MET B 506 -0.684 -1.157 30.324 1.00 0.00 N ATOM 2299 CA MET B 506 -0.424 -1.770 29.020 1.00 0.00 C ATOM 2300 C MET B 506 0.658 -2.841 29.129 1.00 0.00 C ATOM 2301 O MET B 506 1.751 -2.579 29.643 1.00 0.00 O ATOM 2302 CB MET B 506 -0.007 -0.706 27.997 1.00 0.00 C ATOM 2303 CG MET B 506 -1.149 0.192 27.542 1.00 0.00 C ATOM 2304 SD MET B 506 -0.620 1.436 26.348 1.00 0.00 S ATOM 2305 CE MET B 506 -2.164 2.294 26.049 1.00 0.00 C ATOM 0 H MET B 506 0.074 -0.566 30.665 1.00 0.00 H new ATOM 0 HA MET B 506 -1.346 -2.242 28.681 1.00 0.00 H new ATOM 0 HB2 MET B 506 0.778 -0.087 28.431 1.00 0.00 H new ATOM 0 HB3 MET B 506 0.422 -1.202 27.126 1.00 0.00 H new ATOM 0 HG2 MET B 506 -1.934 -0.421 27.099 1.00 0.00 H new ATOM 0 HG3 MET B 506 -1.584 0.688 28.410 1.00 0.00 H new ATOM 0 HE1 MET B 506 -2.001 3.096 25.329 1.00 0.00 H new ATOM 0 HE2 MET B 506 -2.899 1.593 25.652 1.00 0.00 H new ATOM 0 HE3 MET B 506 -2.533 2.716 26.984 1.00 0.00 H new ATOM 2315 N ARG B 507 0.338 -4.046 28.645 1.00 0.00 N ATOM 2316 CA ARG B 507 1.271 -5.177 28.678 1.00 0.00 C ATOM 2317 C ARG B 507 1.347 -5.916 27.324 1.00 0.00 C ATOM 2318 O ARG B 507 2.457 -6.232 26.885 1.00 0.00 O ATOM 2319 CB ARG B 507 0.902 -6.161 29.798 1.00 0.00 C ATOM 2320 CG ARG B 507 1.302 -5.683 31.187 1.00 0.00 C ATOM 2321 CD ARG B 507 0.977 -6.716 32.257 1.00 0.00 C ATOM 2322 NE ARG B 507 1.909 -7.852 32.236 1.00 0.00 N ATOM 2323 CZ ARG B 507 1.929 -8.840 33.143 1.00 0.00 C ATOM 2324 NH1 ARG B 507 1.073 -8.858 34.162 1.00 0.00 N ATOM 2325 NH2 ARG B 507 2.817 -9.817 33.024 1.00 0.00 N ATOM 0 H ARG B 507 -0.565 -4.263 28.224 1.00 0.00 H new ATOM 0 HA ARG B 507 2.258 -4.762 28.881 1.00 0.00 H new ATOM 0 HB2 ARG B 507 -0.174 -6.334 29.778 1.00 0.00 H new ATOM 0 HB3 ARG B 507 1.382 -7.119 29.601 1.00 0.00 H new ATOM 0 HG2 ARG B 507 2.370 -5.467 31.203 1.00 0.00 H new ATOM 0 HG3 ARG B 507 0.785 -4.751 31.413 1.00 0.00 H new ATOM 0 HD2 ARG B 507 1.008 -6.242 33.238 1.00 0.00 H new ATOM 0 HD3 ARG B 507 -0.040 -7.080 32.110 1.00 0.00 H new ATOM 0 HE ARG B 507 2.590 -7.892 31.477 1.00 0.00 H new ATOM 0 HH11 ARG B 507 0.385 -8.111 34.264 1.00 0.00 H new ATOM 0 HH12 ARG B 507 1.104 -9.618 34.841 1.00 0.00 H new ATOM 0 HH21 ARG B 507 3.478 -9.814 32.247 1.00 0.00 H new ATOM 0 HH22 ARG B 507 2.839 -10.572 33.709 1.00 0.00 H new ATOM 2339 N PRO B 508 0.196 -6.215 26.623 1.00 0.00 N ATOM 2340 CA PRO B 508 0.223 -6.925 25.325 1.00 0.00 C ATOM 2341 C PRO B 508 0.688 -6.039 24.162 1.00 0.00 C ATOM 2342 O PRO B 508 1.381 -6.514 23.257 1.00 0.00 O ATOM 2343 CB PRO B 508 -1.239 -7.363 25.108 1.00 0.00 C ATOM 2344 CG PRO B 508 -1.958 -7.048 26.378 1.00 0.00 C ATOM 2345 CD PRO B 508 -1.202 -5.916 27.007 1.00 0.00 C ATOM 0 HA PRO B 508 0.933 -7.752 25.348 1.00 0.00 H new ATOM 0 HB2 PRO B 508 -1.684 -6.832 24.266 1.00 0.00 H new ATOM 0 HB3 PRO B 508 -1.297 -8.427 24.881 1.00 0.00 H new ATOM 0 HG2 PRO B 508 -2.992 -6.766 26.182 1.00 0.00 H new ATOM 0 HG3 PRO B 508 -1.984 -7.915 27.038 1.00 0.00 H new ATOM 0 HD2 PRO B 508 -1.529 -4.948 26.627 1.00 0.00 H new ATOM 0 HD3 PRO B 508 -1.330 -5.894 28.089 1.00 0.00 H new ATOM 2353 N LYS B 509 0.302 -4.757 24.198 1.00 0.00 N ATOM 2354 CA LYS B 509 0.674 -3.801 23.156 1.00 0.00 C ATOM 2355 C LYS B 509 1.749 -2.839 23.673 1.00 0.00 C ATOM 2356 O LYS B 509 1.473 -1.969 24.508 1.00 0.00 O ATOM 2357 CB LYS B 509 -0.566 -3.030 22.681 1.00 0.00 C ATOM 2358 CG LYS B 509 -0.540 -2.671 21.202 1.00 0.00 C ATOM 2359 CD LYS B 509 -1.833 -1.995 20.773 1.00 0.00 C ATOM 2360 CE LYS B 509 -1.849 -1.718 19.279 1.00 0.00 C ATOM 2361 NZ LYS B 509 -3.122 -1.077 18.846 1.00 0.00 N ATOM 0 H LYS B 509 -0.271 -4.360 24.943 1.00 0.00 H new ATOM 0 HA LYS B 509 1.087 -4.346 22.307 1.00 0.00 H new ATOM 0 HB2 LYS B 509 -1.454 -3.629 22.884 1.00 0.00 H new ATOM 0 HB3 LYS B 509 -0.659 -2.115 23.265 1.00 0.00 H new ATOM 0 HG2 LYS B 509 0.302 -2.009 21.001 1.00 0.00 H new ATOM 0 HG3 LYS B 509 -0.385 -3.573 20.610 1.00 0.00 H new ATOM 0 HD2 LYS B 509 -2.680 -2.629 21.035 1.00 0.00 H new ATOM 0 HD3 LYS B 509 -1.954 -1.059 21.319 1.00 0.00 H new ATOM 0 HE2 LYS B 509 -1.011 -1.071 19.021 1.00 0.00 H new ATOM 0 HE3 LYS B 509 -1.710 -2.652 18.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 -3.093 -0.905 17.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 -3.920 -1.705 19.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 -3.243 -0.173 19.346 1.00 0.00 H new ATOM 2375 N ARG B 510 2.981 -3.023 23.180 1.00 0.00 N ATOM 2376 CA ARG B 510 4.123 -2.187 23.580 1.00 0.00 C ATOM 2377 C ARG B 510 5.039 -1.877 22.393 1.00 0.00 C ATOM 2378 O ARG B 510 5.645 -0.803 22.340 1.00 0.00 O ATOM 2379 CB ARG B 510 4.937 -2.873 24.687 1.00 0.00 C ATOM 2380 CG ARG B 510 4.242 -2.893 26.041 1.00 0.00 C ATOM 2381 CD ARG B 510 5.083 -3.607 27.088 1.00 0.00 C ATOM 2382 NE ARG B 510 4.420 -3.641 28.396 1.00 0.00 N ATOM 2383 CZ ARG B 510 4.891 -4.285 29.474 1.00 0.00 C ATOM 2384 NH1 ARG B 510 6.037 -4.963 29.426 1.00 0.00 N ATOM 2385 NH2 ARG B 510 4.207 -4.249 30.609 1.00 0.00 N ATOM 0 H ARG B 510 3.214 -3.747 22.500 1.00 0.00 H new ATOM 0 HA ARG B 510 3.717 -1.248 23.957 1.00 0.00 H new ATOM 0 HB2 ARG B 510 5.152 -3.898 24.385 1.00 0.00 H new ATOM 0 HB3 ARG B 510 5.895 -2.363 24.789 1.00 0.00 H new ATOM 0 HG2 ARG B 510 4.045 -1.871 26.366 1.00 0.00 H new ATOM 0 HG3 ARG B 510 3.276 -3.389 25.948 1.00 0.00 H new ATOM 0 HD2 ARG B 510 5.285 -4.626 26.757 1.00 0.00 H new ATOM 0 HD3 ARG B 510 6.046 -3.106 27.183 1.00 0.00 H new ATOM 0 HE ARG B 510 3.537 -3.139 28.493 1.00 0.00 H new ATOM 0 HH11 ARG B 510 6.573 -4.999 28.559 1.00 0.00 H new ATOM 0 HH12 ARG B 510 6.379 -5.446 30.257 1.00 0.00 H new ATOM 0 HH21 ARG B 510 3.328 -3.734 30.659 1.00 0.00 H new ATOM 0 HH22 ARG B 510 4.560 -4.737 31.433 1.00 0.00 H new ATOM 2399 N ARG B 511 5.132 -2.824 21.448 1.00 0.00 N ATOM 2400 CA ARG B 511 5.982 -2.670 20.259 1.00 0.00 C ATOM 2401 C ARG B 511 5.252 -1.944 19.124 1.00 0.00 C ATOM 2402 O ARG B 511 5.836 -1.086 18.458 1.00 0.00 O ATOM 2403 CB ARG B 511 6.472 -4.039 19.770 1.00 0.00 C ATOM 2404 CG ARG B 511 7.530 -4.672 20.664 1.00 0.00 C ATOM 2405 CD ARG B 511 7.960 -6.032 20.140 1.00 0.00 C ATOM 2406 NE ARG B 511 8.974 -6.656 20.998 1.00 0.00 N ATOM 2407 CZ ARG B 511 9.500 -7.874 20.798 1.00 0.00 C ATOM 2408 NH1 ARG B 511 9.121 -8.628 19.767 1.00 0.00 N ATOM 2409 NH2 ARG B 511 10.413 -8.339 21.640 1.00 0.00 N ATOM 0 H ARG B 511 4.626 -3.709 21.485 1.00 0.00 H new ATOM 0 HA ARG B 511 6.838 -2.061 20.550 1.00 0.00 H new ATOM 0 HB2 ARG B 511 5.620 -4.715 19.698 1.00 0.00 H new ATOM 0 HB3 ARG B 511 6.878 -3.930 18.764 1.00 0.00 H new ATOM 0 HG2 ARG B 511 8.397 -4.014 20.726 1.00 0.00 H new ATOM 0 HG3 ARG B 511 7.137 -4.778 21.675 1.00 0.00 H new ATOM 0 HD2 ARG B 511 7.091 -6.686 20.072 1.00 0.00 H new ATOM 0 HD3 ARG B 511 8.357 -5.923 19.131 1.00 0.00 H new ATOM 0 HE ARG B 511 9.303 -6.125 21.805 1.00 0.00 H new ATOM 0 HH11 ARG B 511 8.419 -8.282 19.113 1.00 0.00 H new ATOM 0 HH12 ARG B 511 9.533 -9.551 19.632 1.00 0.00 H new ATOM 0 HH21 ARG B 511 10.711 -7.772 22.433 1.00 0.00 H new ATOM 0 HH22 ARG B 511 10.817 -9.264 21.494 1.00 0.00 H new ATOM 2423 N GLU B 512 3.965 -2.301 18.910 1.00 0.00 N ATOM 2424 CA GLU B 512 3.105 -1.704 17.852 1.00 0.00 C ATOM 2425 C GLU B 512 3.629 -2.009 16.443 1.00 0.00 C ATOM 2426 O GLU B 512 4.838 -2.150 16.237 1.00 0.00 O ATOM 2427 CB GLU B 512 2.947 -0.181 18.031 1.00 0.00 C ATOM 2428 CG GLU B 512 2.125 0.214 19.249 1.00 0.00 C ATOM 2429 CD GLU B 512 1.985 1.717 19.395 1.00 0.00 C ATOM 2430 OE1 GLU B 512 2.847 2.332 20.057 1.00 0.00 O ATOM 2431 OE2 GLU B 512 1.013 2.279 18.847 1.00 0.00 O ATOM 0 H GLU B 512 3.489 -3.012 19.465 1.00 0.00 H new ATOM 0 HA GLU B 512 2.125 -2.169 17.962 1.00 0.00 H new ATOM 0 HB2 GLU B 512 3.936 0.270 18.110 1.00 0.00 H new ATOM 0 HB3 GLU B 512 2.478 0.233 17.138 1.00 0.00 H new ATOM 0 HG2 GLU B 512 1.134 -0.234 19.175 1.00 0.00 H new ATOM 0 HG3 GLU B 512 2.593 -0.193 20.146 1.00 0.00 H new ATOM 2438 N ILE B 513 2.703 -2.106 15.483 1.00 0.00 N ATOM 2439 CA ILE B 513 3.054 -2.396 14.088 1.00 0.00 C ATOM 2440 C ILE B 513 3.024 -1.122 13.221 1.00 0.00 C ATOM 2441 O ILE B 513 2.130 -0.291 13.400 1.00 0.00 O ATOM 2442 CB ILE B 513 2.133 -3.485 13.451 1.00 0.00 C ATOM 2443 CG1 ILE B 513 0.638 -3.268 13.775 1.00 0.00 C ATOM 2444 CG2 ILE B 513 2.569 -4.868 13.907 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -0.089 -2.401 12.767 1.00 0.00 C ATOM 0 H ILE B 513 1.703 -1.988 15.647 1.00 0.00 H new ATOM 0 HA ILE B 513 4.071 -2.788 14.112 1.00 0.00 H new ATOM 0 HB ILE B 513 2.240 -3.400 12.370 1.00 0.00 H new ATOM 0 HG12 ILE B 513 0.144 -4.238 13.829 1.00 0.00 H new ATOM 0 HG13 ILE B 513 0.553 -2.811 14.761 1.00 0.00 H new ATOM 0 HG21 ILE B 513 1.921 -5.620 13.458 1.00 0.00 H new ATOM 0 HG22 ILE B 513 3.599 -5.045 13.598 1.00 0.00 H new ATOM 0 HG23 ILE B 513 2.500 -4.932 14.993 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -1.133 -2.295 13.063 1.00 0.00 H new ATOM 0 HD12 ILE B 513 0.379 -1.417 12.729 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -0.037 -2.866 11.782 1.00 0.00 H new ATOM 2457 N PRO B 514 3.994 -0.940 12.261 1.00 0.00 N ATOM 2458 CA PRO B 514 4.034 0.253 11.381 1.00 0.00 C ATOM 2459 C PRO B 514 2.867 0.301 10.388 1.00 0.00 C ATOM 2460 O PRO B 514 2.147 -0.688 10.218 1.00 0.00 O ATOM 2461 CB PRO B 514 5.366 0.111 10.622 1.00 0.00 C ATOM 2462 CG PRO B 514 6.141 -0.933 11.348 1.00 0.00 C ATOM 2463 CD PRO B 514 5.125 -1.850 11.959 1.00 0.00 C ATOM 0 HA PRO B 514 3.952 1.172 11.962 1.00 0.00 H new ATOM 0 HB2 PRO B 514 5.196 -0.179 9.585 1.00 0.00 H new ATOM 0 HB3 PRO B 514 5.907 1.057 10.603 1.00 0.00 H new ATOM 0 HG2 PRO B 514 6.797 -1.476 10.668 1.00 0.00 H new ATOM 0 HG3 PRO B 514 6.775 -0.487 12.114 1.00 0.00 H new ATOM 0 HD2 PRO B 514 4.832 -2.643 11.271 1.00 0.00 H new ATOM 0 HD3 PRO B 514 5.506 -2.333 12.859 1.00 0.00 H new ATOM 2471 N LEU B 515 2.694 1.461 9.738 1.00 0.00 N ATOM 2472 CA LEU B 515 1.621 1.663 8.759 1.00 0.00 C ATOM 2473 C LEU B 515 2.068 1.275 7.334 1.00 0.00 C ATOM 2474 O LEU B 515 1.407 1.630 6.352 1.00 0.00 O ATOM 2475 CB LEU B 515 1.122 3.127 8.834 1.00 0.00 C ATOM 2476 CG LEU B 515 2.061 4.216 8.298 1.00 0.00 C ATOM 2477 CD1 LEU B 515 1.753 4.492 6.842 1.00 0.00 C ATOM 2478 CD2 LEU B 515 1.954 5.472 9.151 1.00 0.00 C ATOM 0 H LEU B 515 3.289 2.278 9.876 1.00 0.00 H new ATOM 0 HA LEU B 515 0.790 1.002 9.006 1.00 0.00 H new ATOM 0 HB2 LEU B 515 0.182 3.192 8.286 1.00 0.00 H new ATOM 0 HB3 LEU B 515 0.900 3.355 9.876 1.00 0.00 H new ATOM 0 HG LEU B 515 3.093 3.869 8.359 1.00 0.00 H new ATOM 0 HD11 LEU B 515 2.424 5.266 6.469 1.00 0.00 H new ATOM 0 HD12 LEU B 515 1.892 3.580 6.261 1.00 0.00 H new ATOM 0 HD13 LEU B 515 0.721 4.829 6.746 1.00 0.00 H new ATOM 0 HD21 LEU B 515 2.625 6.236 8.759 1.00 0.00 H new ATOM 0 HD22 LEU B 515 0.929 5.842 9.126 1.00 0.00 H new ATOM 0 HD23 LEU B 515 2.231 5.238 10.179 1.00 0.00 H new ATOM 2490 N LYS B 516 3.175 0.515 7.238 1.00 0.00 N ATOM 2491 CA LYS B 516 3.737 0.075 5.947 1.00 0.00 C ATOM 2492 C LYS B 516 2.784 -0.883 5.206 1.00 0.00 C ATOM 2493 O LYS B 516 3.027 -2.093 5.114 1.00 0.00 O ATOM 2494 CB LYS B 516 5.109 -0.586 6.165 1.00 0.00 C ATOM 2495 CG LYS B 516 6.205 0.382 6.590 1.00 0.00 C ATOM 2496 CD LYS B 516 7.400 -0.349 7.179 1.00 0.00 C ATOM 2497 CE LYS B 516 8.436 0.623 7.719 1.00 0.00 C ATOM 2498 NZ LYS B 516 9.587 -0.083 8.346 1.00 0.00 N ATOM 0 H LYS B 516 3.703 0.190 8.048 1.00 0.00 H new ATOM 0 HA LYS B 516 3.863 0.957 5.319 1.00 0.00 H new ATOM 0 HB2 LYS B 516 5.010 -1.362 6.924 1.00 0.00 H new ATOM 0 HB3 LYS B 516 5.413 -1.080 5.242 1.00 0.00 H new ATOM 0 HG2 LYS B 516 6.525 0.970 5.730 1.00 0.00 H new ATOM 0 HG3 LYS B 516 5.808 1.082 7.325 1.00 0.00 H new ATOM 0 HD2 LYS B 516 7.066 -1.009 7.980 1.00 0.00 H new ATOM 0 HD3 LYS B 516 7.855 -0.980 6.415 1.00 0.00 H new ATOM 0 HE2 LYS B 516 8.797 1.256 6.908 1.00 0.00 H new ATOM 0 HE3 LYS B 516 7.969 1.280 8.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 10.469 0.415 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 9.463 -0.100 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 9.634 -1.058 7.987 1.00 0.00 H new ATOM 2512 N VAL B 517 1.687 -0.309 4.691 1.00 0.00 N ATOM 2513 CA VAL B 517 0.658 -1.059 3.956 1.00 0.00 C ATOM 2514 C VAL B 517 -0.154 -0.147 3.062 1.00 0.00 C ATOM 2515 O VAL B 517 -0.312 -0.399 1.871 1.00 0.00 O ATOM 2516 CB VAL B 517 -0.296 -1.860 4.880 1.00 0.00 C ATOM 2517 CG1 VAL B 517 0.232 -3.264 5.068 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -0.510 -1.181 6.236 1.00 0.00 C ATOM 0 H VAL B 517 1.488 0.688 4.772 1.00 0.00 H new ATOM 0 HA VAL B 517 1.204 -1.779 3.346 1.00 0.00 H new ATOM 0 HB VAL B 517 -1.270 -1.897 4.391 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -0.442 -3.822 5.718 1.00 0.00 H new ATOM 0 HG12 VAL B 517 0.297 -3.761 4.100 1.00 0.00 H new ATOM 0 HG13 VAL B 517 1.222 -3.223 5.522 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -1.186 -1.784 6.842 1.00 0.00 H new ATOM 0 HG22 VAL B 517 0.447 -1.082 6.748 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -0.944 -0.193 6.084 1.00 0.00 H new ATOM 2528 N LEU B 518 -0.658 0.912 3.664 1.00 0.00 N ATOM 2529 CA LEU B 518 -1.439 1.948 2.997 1.00 0.00 C ATOM 2530 C LEU B 518 -0.674 2.585 1.818 1.00 0.00 C ATOM 2531 O LEU B 518 -1.230 3.397 1.071 1.00 0.00 O ATOM 2532 CB LEU B 518 -1.755 3.018 4.044 1.00 0.00 C ATOM 2533 CG LEU B 518 -2.803 2.684 5.136 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -3.927 1.796 4.618 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -2.130 2.045 6.342 1.00 0.00 C ATOM 0 H LEU B 518 -0.534 1.085 4.662 1.00 0.00 H new ATOM 0 HA LEU B 518 -2.345 1.506 2.582 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -0.823 3.280 4.545 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -2.095 3.910 3.517 1.00 0.00 H new ATOM 0 HG LEU B 518 -3.259 3.627 5.438 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -4.632 1.594 5.424 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -4.444 2.302 3.802 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -3.511 0.856 4.256 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -2.880 1.817 7.099 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -1.632 1.125 6.036 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -1.395 2.735 6.756 1.00 0.00 H new ATOM 2547 N VAL B 519 0.598 2.194 1.670 1.00 0.00 N ATOM 2548 CA VAL B 519 1.472 2.689 0.611 1.00 0.00 C ATOM 2549 C VAL B 519 2.212 1.511 -0.003 1.00 0.00 C ATOM 2550 O VAL B 519 2.453 1.491 -1.214 1.00 0.00 O ATOM 2551 CB VAL B 519 2.465 3.785 1.122 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.359 4.308 -0.005 1.00 0.00 C ATOM 2553 CG2 VAL B 519 1.713 4.963 1.741 1.00 0.00 C ATOM 0 H VAL B 519 1.048 1.520 2.289 1.00 0.00 H new ATOM 0 HA VAL B 519 0.859 3.174 -0.149 1.00 0.00 H new ATOM 0 HB VAL B 519 3.089 3.311 1.879 1.00 0.00 H new ATOM 0 HG11 VAL B 519 4.035 5.067 0.389 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.941 3.485 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.739 4.745 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL B 519 2.428 5.709 2.088 1.00 0.00 H new ATOM 0 HG22 VAL B 519 1.057 5.409 0.994 1.00 0.00 H new ATOM 0 HG23 VAL B 519 1.118 4.612 2.584 1.00 0.00 H new ATOM 2563 N LYS B 520 2.572 0.530 0.838 1.00 0.00 N ATOM 2564 CA LYS B 520 3.225 -0.678 0.374 1.00 0.00 C ATOM 2565 C LYS B 520 2.317 -1.473 -0.543 1.00 0.00 C ATOM 2566 O LYS B 520 2.778 -2.172 -1.451 1.00 0.00 O ATOM 2567 CB LYS B 520 3.615 -1.550 1.550 1.00 0.00 C ATOM 2568 CG LYS B 520 5.063 -1.996 1.480 1.00 0.00 C ATOM 2569 CD LYS B 520 5.403 -2.691 0.150 1.00 0.00 C ATOM 2570 CE LYS B 520 6.906 -2.788 -0.060 1.00 0.00 C ATOM 2571 NZ LYS B 520 7.245 -3.418 -1.366 1.00 0.00 N ATOM 0 H LYS B 520 2.416 0.561 1.846 1.00 0.00 H new ATOM 0 HA LYS B 520 4.116 -0.378 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS B 520 3.451 -1.001 2.477 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.968 -2.427 1.580 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.713 -1.131 1.610 1.00 0.00 H new ATOM 0 HG3 LYS B 520 5.270 -2.677 2.305 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.968 -3.690 0.139 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.954 -2.139 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS B 520 7.344 -1.791 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS B 520 7.349 -3.369 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 8.279 -3.465 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 6.849 -4.379 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.844 -2.850 -2.140 1.00 0.00 H new ATOM 2585 N ALA B 521 1.019 -1.348 -0.281 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.006 -2.005 -1.066 1.00 0.00 C ATOM 2587 C ALA B 521 -0.393 -1.113 -2.246 1.00 0.00 C ATOM 2588 O ALA B 521 -1.480 -1.210 -2.829 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.178 -2.304 -0.174 1.00 0.00 C ATOM 0 H ALA B 521 0.653 -0.784 0.486 1.00 0.00 H new ATOM 0 HA ALA B 521 0.360 -2.947 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -1.958 -2.799 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -0.859 -2.956 0.639 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -1.568 -1.374 0.239 1.00 0.00 H new ATOM 2595 N VAL B 522 0.570 -0.263 -2.580 1.00 0.00 N ATOM 2596 CA VAL B 522 0.483 0.715 -3.642 1.00 0.00 C ATOM 2597 C VAL B 522 1.808 0.741 -4.415 1.00 0.00 C ATOM 2598 O VAL B 522 1.837 1.200 -5.560 1.00 0.00 O ATOM 2599 CB VAL B 522 0.131 2.153 -3.142 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.389 3.013 -4.290 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -0.904 2.122 -2.022 1.00 0.00 C ATOM 0 H VAL B 522 1.467 -0.240 -2.095 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.338 0.408 -4.289 1.00 0.00 H new ATOM 0 HB VAL B 522 1.050 2.589 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.628 4.010 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.375 3.087 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.286 2.557 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.123 3.140 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.818 1.651 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.512 1.552 -1.180 1.00 0.00 H new ATOM 2611 N LEU B 523 2.916 0.248 -3.788 1.00 0.00 N ATOM 2612 CA LEU B 523 4.208 0.184 -4.468 1.00 0.00 C ATOM 2613 C LEU B 523 4.206 -1.019 -5.403 1.00 0.00 C ATOM 2614 O LEU B 523 5.117 -1.213 -6.212 1.00 0.00 O ATOM 2615 CB LEU B 523 5.355 0.087 -3.462 1.00 0.00 C ATOM 2616 CG LEU B 523 5.482 1.294 -2.529 1.00 0.00 C ATOM 2617 CD1 LEU B 523 6.231 0.923 -1.260 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.179 2.456 -3.224 1.00 0.00 C ATOM 0 H LEU B 523 2.923 -0.101 -2.830 1.00 0.00 H new ATOM 0 HA LEU B 523 4.360 1.097 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU B 523 5.218 -0.810 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU B 523 6.291 -0.035 -4.007 1.00 0.00 H new ATOM 0 HG LEU B 523 4.473 1.607 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU B 523 6.308 1.798 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU B 523 5.693 0.132 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU B 523 7.231 0.573 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU B 523 6.255 3.299 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.178 2.149 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.604 2.754 -4.101 1.00 0.00 H new ATOM 2630 N PHE B 524 3.147 -1.828 -5.250 1.00 0.00 N ATOM 2631 CA PHE B 524 2.919 -3.008 -6.069 1.00 0.00 C ATOM 2632 C PHE B 524 2.296 -2.610 -7.423 1.00 0.00 C ATOM 2633 O PHE B 524 2.412 -3.345 -8.408 1.00 0.00 O ATOM 2634 CB PHE B 524 2.019 -4.001 -5.292 1.00 0.00 C ATOM 2635 CG PHE B 524 0.806 -4.497 -6.039 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.407 -3.837 -5.934 1.00 0.00 C ATOM 2637 CD2 PHE B 524 0.890 -5.614 -6.848 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.516 -4.285 -6.627 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -0.215 -6.070 -7.541 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.420 -5.404 -7.431 1.00 0.00 C ATOM 0 H PHE B 524 2.425 -1.673 -4.547 1.00 0.00 H new ATOM 0 HA PHE B 524 3.868 -3.499 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.623 -4.861 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.686 -3.520 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.487 -2.963 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE B 524 1.831 -6.137 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.456 -3.761 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -0.137 -6.946 -8.168 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.285 -5.757 -7.972 1.00 0.00 H new ATOM 2650 N ALA B 525 1.643 -1.439 -7.442 1.00 0.00 N ATOM 2651 CA ALA B 525 0.979 -0.923 -8.639 1.00 0.00 C ATOM 2652 C ALA B 525 1.842 0.088 -9.408 1.00 0.00 C ATOM 2653 O ALA B 525 1.471 0.501 -10.513 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.353 -0.294 -8.253 1.00 0.00 C ATOM 0 H ALA B 525 1.563 -0.828 -6.629 1.00 0.00 H new ATOM 0 HA ALA B 525 0.813 -1.767 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -0.846 0.090 -9.146 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -0.987 -1.045 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.180 0.524 -7.554 1.00 0.00 H new ATOM 2660 N CYS B 526 2.994 0.480 -8.833 1.00 0.00 N ATOM 2661 CA CYS B 526 3.903 1.445 -9.480 1.00 0.00 C ATOM 2662 C CYS B 526 4.795 0.769 -10.545 1.00 0.00 C ATOM 2663 O CYS B 526 5.769 1.365 -11.024 1.00 0.00 O ATOM 2664 CB CYS B 526 4.774 2.150 -8.422 1.00 0.00 C ATOM 2665 SG CYS B 526 6.003 1.086 -7.626 1.00 0.00 S ATOM 0 H CYS B 526 3.317 0.145 -7.925 1.00 0.00 H new ATOM 0 HA CYS B 526 3.288 2.187 -9.989 1.00 0.00 H new ATOM 0 HB2 CYS B 526 5.289 2.987 -8.894 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.123 2.568 -7.654 1.00 0.00 H new ATOM 0 HG CYS B 526 5.423 0.011 -7.181 1.00 0.00 H new ATOM 2671 N MET B 527 4.437 -0.466 -10.922 1.00 0.00 N ATOM 2672 CA MET B 527 5.194 -1.238 -11.910 1.00 0.00 C ATOM 2673 C MET B 527 4.288 -1.786 -13.030 1.00 0.00 C ATOM 2674 O MET B 527 4.791 -2.261 -14.052 1.00 0.00 O ATOM 2675 CB MET B 527 5.925 -2.387 -11.195 1.00 0.00 C ATOM 2676 CG MET B 527 7.026 -3.061 -12.017 1.00 0.00 C ATOM 2677 SD MET B 527 6.615 -4.762 -12.466 1.00 0.00 S ATOM 2678 CE MET B 527 6.805 -5.604 -10.892 1.00 0.00 C ATOM 0 H MET B 527 3.620 -0.953 -10.552 1.00 0.00 H new ATOM 0 HA MET B 527 5.918 -0.576 -12.385 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.363 -2.002 -10.274 1.00 0.00 H new ATOM 0 HB3 MET B 527 5.192 -3.141 -10.908 1.00 0.00 H new ATOM 0 HG2 MET B 527 7.203 -2.482 -12.924 1.00 0.00 H new ATOM 0 HG3 MET B 527 7.955 -3.054 -11.448 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.723 -6.680 -11.043 1.00 0.00 H new ATOM 0 HE2 MET B 527 7.782 -5.370 -10.470 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.025 -5.273 -10.206 1.00 0.00 H new ATOM 2688 N LEU B 528 2.957 -1.717 -12.834 1.00 0.00 N ATOM 2689 CA LEU B 528 1.981 -2.216 -13.819 1.00 0.00 C ATOM 2690 C LEU B 528 2.043 -1.474 -15.162 1.00 0.00 C ATOM 2691 O LEU B 528 1.932 -2.097 -16.222 1.00 0.00 O ATOM 2692 CB LEU B 528 0.558 -2.127 -13.259 1.00 0.00 C ATOM 2693 CG LEU B 528 0.355 -2.827 -11.918 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.863 -2.268 -11.202 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.223 -4.331 -12.089 1.00 0.00 C ATOM 0 H LEU B 528 2.532 -1.318 -11.997 1.00 0.00 H new ATOM 0 HA LEU B 528 2.248 -3.256 -14.007 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.291 -1.076 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.131 -2.557 -13.986 1.00 0.00 H new ATOM 0 HG LEU B 528 1.239 -2.636 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.991 -2.780 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.724 -1.201 -11.026 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.749 -2.421 -11.818 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.080 -4.797 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -0.634 -4.551 -12.726 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.128 -4.726 -12.550 1.00 0.00 H new ATOM 2707 N MET B 529 2.220 -0.148 -15.103 1.00 0.00 N ATOM 2708 CA MET B 529 2.281 0.684 -16.306 1.00 0.00 C ATOM 2709 C MET B 529 3.704 1.201 -16.556 1.00 0.00 C ATOM 2710 O MET B 529 3.954 2.414 -16.590 1.00 0.00 O ATOM 2711 CB MET B 529 1.277 1.845 -16.199 1.00 0.00 C ATOM 2712 CG MET B 529 -0.160 1.439 -16.483 1.00 0.00 C ATOM 2713 SD MET B 529 -0.403 0.881 -18.180 1.00 0.00 S ATOM 2714 CE MET B 529 -2.185 0.707 -18.224 1.00 0.00 C ATOM 0 H MET B 529 2.324 0.371 -14.231 1.00 0.00 H new ATOM 0 HA MET B 529 2.007 0.069 -17.163 1.00 0.00 H new ATOM 0 HB2 MET B 529 1.333 2.271 -15.197 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.568 2.630 -16.897 1.00 0.00 H new ATOM 0 HG2 MET B 529 -0.450 0.642 -15.798 1.00 0.00 H new ATOM 0 HG3 MET B 529 -0.818 2.285 -16.285 1.00 0.00 H new ATOM 0 HE1 MET B 529 -2.569 1.131 -19.152 1.00 0.00 H new ATOM 0 HE2 MET B 529 -2.449 -0.349 -18.171 1.00 0.00 H new ATOM 0 HE3 MET B 529 -2.623 1.234 -17.376 1.00 0.00 H new ATOM 2724 N ARG B 530 4.635 0.257 -16.725 1.00 0.00 N ATOM 2725 CA ARG B 530 6.041 0.581 -16.990 1.00 0.00 C ATOM 2726 C ARG B 530 6.571 -0.204 -18.191 1.00 0.00 C ATOM 2727 O ARG B 530 7.273 0.354 -19.039 1.00 0.00 O ATOM 2728 CB ARG B 530 6.909 0.302 -15.757 1.00 0.00 C ATOM 2729 CG ARG B 530 6.769 1.346 -14.659 1.00 0.00 C ATOM 2730 CD ARG B 530 7.918 1.268 -13.668 1.00 0.00 C ATOM 2731 NE ARG B 530 7.823 2.306 -12.636 1.00 0.00 N ATOM 2732 CZ ARG B 530 8.857 3.027 -12.179 1.00 0.00 C ATOM 2733 NH1 ARG B 530 10.090 2.842 -12.650 1.00 0.00 N ATOM 2734 NH2 ARG B 530 8.652 3.942 -11.243 1.00 0.00 N ATOM 0 H ARG B 530 4.439 -0.743 -16.683 1.00 0.00 H new ATOM 0 HA ARG B 530 6.094 1.645 -17.222 1.00 0.00 H new ATOM 0 HB2 ARG B 530 6.646 -0.675 -15.352 1.00 0.00 H new ATOM 0 HB3 ARG B 530 7.954 0.249 -16.064 1.00 0.00 H new ATOM 0 HG2 ARG B 530 6.737 2.341 -15.103 1.00 0.00 H new ATOM 0 HG3 ARG B 530 5.824 1.200 -14.135 1.00 0.00 H new ATOM 0 HD2 ARG B 530 7.923 0.286 -13.195 1.00 0.00 H new ATOM 0 HD3 ARG B 530 8.864 1.371 -14.200 1.00 0.00 H new ATOM 0 HE ARG B 530 6.903 2.493 -12.237 1.00 0.00 H new ATOM 0 HH11 ARG B 530 10.261 2.141 -13.372 1.00 0.00 H new ATOM 0 HH12 ARG B 530 10.863 3.401 -12.289 1.00 0.00 H new ATOM 0 HH21 ARG B 530 7.713 4.094 -10.875 1.00 0.00 H new ATOM 0 HH22 ARG B 530 9.433 4.495 -10.890 1.00 0.00 H new ATOM 2748 N LYS B 531 6.228 -1.499 -18.253 1.00 0.00 N ATOM 2749 CA LYS B 531 6.662 -2.375 -19.348 1.00 0.00 C ATOM 2750 C LYS B 531 5.602 -2.434 -20.449 1.00 0.00 C ATOM 2751 O LYS B 531 5.917 -2.040 -21.592 1.00 0.00 O ATOM 2752 CB LYS B 531 6.968 -3.799 -18.833 1.00 0.00 C ATOM 2753 CG LYS B 531 8.007 -3.880 -17.706 1.00 0.00 C ATOM 2754 CD LYS B 531 9.424 -3.557 -18.180 1.00 0.00 C ATOM 2755 CE LYS B 531 9.830 -2.143 -17.790 1.00 0.00 C ATOM 2756 NZ LYS B 531 11.126 -1.746 -18.406 1.00 0.00 N ATOM 2757 OXT LYS B 531 4.464 -2.865 -20.159 1.00 0.00 O ATOM 0 H LYS B 531 5.649 -1.963 -17.554 1.00 0.00 H new ATOM 0 HA LYS B 531 7.577 -1.954 -19.764 1.00 0.00 H new ATOM 0 HB2 LYS B 531 6.039 -4.248 -18.481 1.00 0.00 H new ATOM 0 HB3 LYS B 531 7.317 -4.403 -19.670 1.00 0.00 H new ATOM 0 HG2 LYS B 531 7.728 -3.188 -16.911 1.00 0.00 H new ATOM 0 HG3 LYS B 531 7.992 -4.882 -17.276 1.00 0.00 H new ATOM 0 HD2 LYS B 531 10.125 -4.271 -17.748 1.00 0.00 H new ATOM 0 HD3 LYS B 531 9.482 -3.668 -19.263 1.00 0.00 H new ATOM 0 HE2 LYS B 531 9.053 -1.444 -18.099 1.00 0.00 H new ATOM 0 HE3 LYS B 531 9.908 -2.074 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 11.366 -0.777 -18.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 11.874 -2.397 -18.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 11.045 -1.787 -19.442 1.00 0.00 H new TER 2771 LYS B 531