USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 80:sc= 0.496 USER MOD Set 1.2: A 65 SER OG : rot 147:sc= 0.693 USER MOD Single : A 3 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.14) USER MOD Single : A 7 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.11) USER MOD Single : A 13 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.8) USER MOD Single : A 14 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= 0.694 (180deg=-1.01!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.03) USER MOD Single : A 21 SER OG : rot 155:sc= -0.294 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.23) USER MOD Single : A 29 MET CE :methyl 161:sc= -0.258 (180deg=-0.855) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 50 SER OG : rot -100:sc= 0.47 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0391) USER MOD Single : A 74 GLN : amide:sc= -1.99 K(o=-2,f=-3.3!) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 1.16 (180deg=0.52) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 137:sc= 1.56 (180deg=-0.101) USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.27) USER MOD Single : A 96 TYR OH : rot -33:sc= 0.979 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.352 -6.945 14.364 1.00 34.20 N ATOM 21 CA ASP A 2 -10.835 -8.207 13.786 1.00 1.54 C ATOM 22 C ASP A 2 -9.689 -9.097 13.273 1.00 22.02 C ATOM 23 O ASP A 2 -8.608 -8.605 12.940 1.00 23.21 O ATOM 24 CB ASP A 2 -11.795 -7.897 12.638 1.00 3.21 C ATOM 25 CG ASP A 2 -12.946 -7.017 13.084 1.00 30.53 C ATOM 26 OD1 ASP A 2 -12.748 -5.788 13.201 1.00 31.21 O ATOM 27 OD2 ASP A 2 -14.045 -7.551 13.342 1.00 24.15 O ATOM 0 HA ASP A 2 -11.344 -8.759 14.576 1.00 1.54 H new ATOM 0 HB2 ASP A 2 -11.251 -7.402 11.833 1.00 3.21 H new ATOM 0 HB3 ASP A 2 -12.187 -8.829 12.231 1.00 3.21 H new ATOM 32 N GLN A 3 -9.946 -10.407 13.186 1.00 65.33 N ATOM 33 CA GLN A 3 -8.951 -11.369 12.687 1.00 61.50 C ATOM 34 C GLN A 3 -8.452 -10.978 11.291 1.00 63.31 C ATOM 35 O GLN A 3 -7.254 -11.021 11.012 1.00 23.10 O ATOM 36 CB GLN A 3 -9.547 -12.785 12.650 1.00 11.21 C ATOM 37 CG GLN A 3 -9.966 -13.317 14.015 1.00 44.13 C ATOM 38 CD GLN A 3 -8.827 -13.307 15.022 1.00 73.21 C ATOM 39 OE1 GLN A 3 -8.058 -14.257 15.119 1.00 34.33 O ATOM 40 NE2 GLN A 3 -8.706 -12.237 15.778 1.00 73.33 N ATOM 0 H GLN A 3 -10.835 -10.828 13.455 1.00 65.33 H new ATOM 0 HA GLN A 3 -8.102 -11.355 13.371 1.00 61.50 H new ATOM 0 HB2 GLN A 3 -10.414 -12.786 11.989 1.00 11.21 H new ATOM 0 HB3 GLN A 3 -8.814 -13.465 12.216 1.00 11.21 H new ATOM 0 HG2 GLN A 3 -10.790 -12.715 14.398 1.00 44.13 H new ATOM 0 HG3 GLN A 3 -10.340 -14.335 13.905 1.00 44.13 H new ATOM 0 HE21 GLN A 3 -9.361 -11.462 15.674 1.00 73.33 H new ATOM 0 HE22 GLN A 3 -7.957 -12.182 16.468 1.00 73.33 H new ATOM 49 N PHE A 4 -9.385 -10.594 10.422 1.00 31.32 N ATOM 50 CA PHE A 4 -9.052 -10.089 9.087 1.00 61.32 C ATOM 51 C PHE A 4 -8.017 -8.957 9.170 1.00 14.11 C ATOM 52 O PHE A 4 -7.010 -8.964 8.460 1.00 62.33 O ATOM 53 CB PHE A 4 -10.325 -9.594 8.384 1.00 74.14 C ATOM 54 CG PHE A 4 -10.060 -8.831 7.109 1.00 50.15 C ATOM 55 CD1 PHE A 4 -9.586 -9.481 5.979 1.00 3.11 C ATOM 56 CD2 PHE A 4 -10.279 -7.461 7.042 1.00 73.24 C ATOM 57 CE1 PHE A 4 -9.335 -8.783 4.813 1.00 51.01 C ATOM 58 CE2 PHE A 4 -10.031 -6.760 5.878 1.00 51.41 C ATOM 59 CZ PHE A 4 -9.558 -7.422 4.764 1.00 64.00 C ATOM 0 H PHE A 4 -10.385 -10.623 10.619 1.00 31.32 H new ATOM 0 HA PHE A 4 -8.616 -10.904 8.509 1.00 61.32 H new ATOM 0 HB2 PHE A 4 -10.960 -10.450 8.158 1.00 74.14 H new ATOM 0 HB3 PHE A 4 -10.882 -8.955 9.069 1.00 74.14 H new ATOM 0 HD1 PHE A 4 -9.411 -10.546 6.011 1.00 3.11 H new ATOM 0 HD2 PHE A 4 -10.648 -6.937 7.911 1.00 73.24 H new ATOM 0 HE1 PHE A 4 -8.965 -9.302 3.941 1.00 51.01 H new ATOM 0 HE2 PHE A 4 -10.207 -5.695 5.840 1.00 51.41 H new ATOM 0 HZ PHE A 4 -9.362 -6.875 3.853 1.00 64.00 H new ATOM 69 N LEU A 5 -8.271 -7.995 10.056 1.00 72.34 N ATOM 70 CA LEU A 5 -7.356 -6.868 10.258 1.00 44.24 C ATOM 71 C LEU A 5 -5.985 -7.355 10.751 1.00 31.31 C ATOM 72 O LEU A 5 -4.947 -6.939 10.239 1.00 40.24 O ATOM 73 CB LEU A 5 -7.958 -5.871 11.259 1.00 1.13 C ATOM 74 CG LEU A 5 -9.345 -5.321 10.882 1.00 51.25 C ATOM 75 CD1 LEU A 5 -9.822 -4.302 11.913 1.00 32.51 C ATOM 76 CD2 LEU A 5 -9.325 -4.709 9.482 1.00 41.22 C ATOM 0 H LEU A 5 -9.102 -7.972 10.646 1.00 72.34 H new ATOM 0 HA LEU A 5 -7.214 -6.367 9.300 1.00 44.24 H new ATOM 0 HB2 LEU A 5 -8.030 -6.356 12.232 1.00 1.13 H new ATOM 0 HB3 LEU A 5 -7.270 -5.033 11.371 1.00 1.13 H new ATOM 0 HG LEU A 5 -10.049 -6.153 10.877 1.00 51.25 H new ATOM 0 HD11 LEU A 5 -10.804 -3.927 11.626 1.00 32.51 H new ATOM 0 HD12 LEU A 5 -9.887 -4.778 12.892 1.00 32.51 H new ATOM 0 HD13 LEU A 5 -9.116 -3.473 11.959 1.00 32.51 H new ATOM 0 HD21 LEU A 5 -10.316 -4.327 9.238 1.00 41.22 H new ATOM 0 HD22 LEU A 5 -8.604 -3.892 9.452 1.00 41.22 H new ATOM 0 HD23 LEU A 5 -9.041 -5.471 8.756 1.00 41.22 H new ATOM 88 N VAL A 6 -5.994 -8.258 11.729 1.00 11.12 N ATOM 89 CA VAL A 6 -4.757 -8.831 12.272 1.00 34.53 C ATOM 90 C VAL A 6 -3.932 -9.521 11.170 1.00 15.44 C ATOM 91 O VAL A 6 -2.710 -9.375 11.108 1.00 34.23 O ATOM 92 CB VAL A 6 -5.059 -9.849 13.404 1.00 24.35 C ATOM 93 CG1 VAL A 6 -3.768 -10.432 13.977 1.00 54.34 C ATOM 94 CG2 VAL A 6 -5.896 -9.197 14.507 1.00 51.30 C ATOM 0 H VAL A 6 -6.845 -8.612 12.165 1.00 11.12 H new ATOM 0 HA VAL A 6 -4.177 -8.006 12.684 1.00 34.53 H new ATOM 0 HB VAL A 6 -5.635 -10.669 12.975 1.00 24.35 H new ATOM 0 HG11 VAL A 6 -4.009 -11.142 14.768 1.00 54.34 H new ATOM 0 HG12 VAL A 6 -3.217 -10.942 13.187 1.00 54.34 H new ATOM 0 HG13 VAL A 6 -3.156 -9.628 14.385 1.00 54.34 H new ATOM 0 HG21 VAL A 6 -6.097 -9.927 15.291 1.00 51.30 H new ATOM 0 HG22 VAL A 6 -5.349 -8.353 14.928 1.00 51.30 H new ATOM 0 HG23 VAL A 6 -6.839 -8.845 14.088 1.00 51.30 H new ATOM 104 N GLN A 7 -4.618 -10.255 10.293 1.00 21.30 N ATOM 105 CA GLN A 7 -3.959 -10.988 9.206 1.00 13.11 C ATOM 106 C GLN A 7 -3.336 -10.040 8.164 1.00 73.23 C ATOM 107 O GLN A 7 -2.147 -10.155 7.849 1.00 52.40 O ATOM 108 CB GLN A 7 -4.950 -11.946 8.526 1.00 32.45 C ATOM 109 CG GLN A 7 -5.475 -13.051 9.442 1.00 64.13 C ATOM 110 CD GLN A 7 -4.366 -13.907 10.037 1.00 32.22 C ATOM 111 OE1 GLN A 7 -3.947 -14.901 9.454 1.00 1.43 O ATOM 112 NE2 GLN A 7 -3.884 -13.530 11.206 1.00 71.21 N ATOM 0 H GLN A 7 -5.632 -10.359 10.313 1.00 21.30 H new ATOM 0 HA GLN A 7 -3.149 -11.566 9.650 1.00 13.11 H new ATOM 0 HB2 GLN A 7 -5.795 -11.370 8.148 1.00 32.45 H new ATOM 0 HB3 GLN A 7 -4.464 -12.403 7.664 1.00 32.45 H new ATOM 0 HG2 GLN A 7 -6.053 -12.602 10.250 1.00 64.13 H new ATOM 0 HG3 GLN A 7 -6.156 -13.689 8.879 1.00 64.13 H new ATOM 0 HE21 GLN A 7 -4.254 -12.698 11.666 1.00 71.21 H new ATOM 0 HE22 GLN A 7 -3.142 -14.071 11.650 1.00 71.21 H new ATOM 121 N ILE A 8 -4.129 -9.103 7.633 1.00 53.41 N ATOM 122 CA ILE A 8 -3.628 -8.167 6.615 1.00 43.43 C ATOM 123 C ILE A 8 -2.486 -7.294 7.165 1.00 52.42 C ATOM 124 O ILE A 8 -1.469 -7.097 6.500 1.00 2.54 O ATOM 125 CB ILE A 8 -4.750 -7.259 6.036 1.00 53.42 C ATOM 126 CG1 ILE A 8 -5.421 -6.425 7.143 1.00 63.14 C ATOM 127 CG2 ILE A 8 -5.785 -8.101 5.290 1.00 62.40 C ATOM 128 CD1 ILE A 8 -6.506 -5.492 6.641 1.00 65.41 C ATOM 0 H ILE A 8 -5.108 -8.971 7.886 1.00 53.41 H new ATOM 0 HA ILE A 8 -3.244 -8.784 5.803 1.00 43.43 H new ATOM 0 HB ILE A 8 -4.292 -6.565 5.331 1.00 53.42 H new ATOM 0 HG12 ILE A 8 -5.851 -7.101 7.883 1.00 63.14 H new ATOM 0 HG13 ILE A 8 -4.658 -5.837 7.654 1.00 63.14 H new ATOM 0 HG21 ILE A 8 -6.564 -7.451 4.891 1.00 62.40 H new ATOM 0 HG22 ILE A 8 -5.300 -8.632 4.471 1.00 62.40 H new ATOM 0 HG23 ILE A 8 -6.230 -8.822 5.976 1.00 62.40 H new ATOM 0 HD11 ILE A 8 -6.929 -4.941 7.481 1.00 65.41 H new ATOM 0 HD12 ILE A 8 -6.080 -4.790 5.924 1.00 65.41 H new ATOM 0 HD13 ILE A 8 -7.291 -6.073 6.157 1.00 65.41 H new ATOM 140 N PHE A 9 -2.645 -6.798 8.395 1.00 41.34 N ATOM 141 CA PHE A 9 -1.611 -5.980 9.034 1.00 63.42 C ATOM 142 C PHE A 9 -0.312 -6.778 9.230 1.00 40.40 C ATOM 143 O PHE A 9 0.783 -6.262 9.000 1.00 12.24 O ATOM 144 CB PHE A 9 -2.106 -5.428 10.382 1.00 24.20 C ATOM 145 CG PHE A 9 -3.263 -4.457 10.276 1.00 5.12 C ATOM 146 CD1 PHE A 9 -3.550 -3.804 9.081 1.00 30.32 C ATOM 147 CD2 PHE A 9 -4.057 -4.191 11.382 1.00 3.03 C ATOM 148 CE1 PHE A 9 -4.605 -2.915 8.997 1.00 41.14 C ATOM 149 CE2 PHE A 9 -5.112 -3.303 11.300 1.00 44.52 C ATOM 150 CZ PHE A 9 -5.388 -2.664 10.107 1.00 43.33 C ATOM 0 H PHE A 9 -3.477 -6.948 8.966 1.00 41.34 H new ATOM 0 HA PHE A 9 -1.398 -5.141 8.371 1.00 63.42 H new ATOM 0 HB2 PHE A 9 -2.406 -6.264 11.014 1.00 24.20 H new ATOM 0 HB3 PHE A 9 -1.276 -4.931 10.884 1.00 24.20 H new ATOM 0 HD1 PHE A 9 -2.941 -3.994 8.209 1.00 30.32 H new ATOM 0 HD2 PHE A 9 -3.848 -4.685 12.319 1.00 3.03 H new ATOM 0 HE1 PHE A 9 -4.817 -2.416 8.063 1.00 41.14 H new ATOM 0 HE2 PHE A 9 -5.722 -3.108 12.170 1.00 44.52 H new ATOM 0 HZ PHE A 9 -6.213 -1.970 10.042 1.00 43.33 H new ATOM 160 N ALA A 10 -0.441 -8.043 9.642 1.00 22.12 N ATOM 161 CA ALA A 10 0.724 -8.925 9.808 1.00 0.11 C ATOM 162 C ALA A 10 1.529 -9.046 8.503 1.00 34.41 C ATOM 163 O ALA A 10 2.758 -9.118 8.521 1.00 60.21 O ATOM 164 CB ALA A 10 0.278 -10.303 10.290 1.00 32.45 C ATOM 0 H ALA A 10 -1.335 -8.480 9.866 1.00 22.12 H new ATOM 0 HA ALA A 10 1.377 -8.481 10.559 1.00 0.11 H new ATOM 0 HB1 ALA A 10 1.150 -10.947 10.409 1.00 32.45 H new ATOM 0 HB2 ALA A 10 -0.234 -10.205 11.247 1.00 32.45 H new ATOM 0 HB3 ALA A 10 -0.400 -10.742 9.559 1.00 32.45 H new ATOM 170 N VAL A 11 0.829 -9.064 7.372 1.00 10.32 N ATOM 171 CA VAL A 11 1.482 -9.104 6.058 1.00 34.01 C ATOM 172 C VAL A 11 2.178 -7.766 5.737 1.00 51.22 C ATOM 173 O VAL A 11 3.314 -7.744 5.261 1.00 71.15 O ATOM 174 CB VAL A 11 0.465 -9.439 4.934 1.00 61.55 C ATOM 175 CG1 VAL A 11 1.154 -9.525 3.572 1.00 10.44 C ATOM 176 CG2 VAL A 11 -0.277 -10.739 5.250 1.00 45.55 C ATOM 0 H VAL A 11 -0.190 -9.052 7.334 1.00 10.32 H new ATOM 0 HA VAL A 11 2.234 -9.892 6.101 1.00 34.01 H new ATOM 0 HB VAL A 11 -0.263 -8.629 4.887 1.00 61.55 H new ATOM 0 HG11 VAL A 11 0.416 -9.761 2.805 1.00 10.44 H new ATOM 0 HG12 VAL A 11 1.624 -8.569 3.341 1.00 10.44 H new ATOM 0 HG13 VAL A 11 1.914 -10.306 3.597 1.00 10.44 H new ATOM 0 HG21 VAL A 11 -0.985 -10.957 4.451 1.00 45.55 H new ATOM 0 HG22 VAL A 11 0.440 -11.556 5.333 1.00 45.55 H new ATOM 0 HG23 VAL A 11 -0.815 -10.631 6.192 1.00 45.55 H new ATOM 186 N ILE A 12 1.497 -6.652 6.020 1.00 31.12 N ATOM 187 CA ILE A 12 2.044 -5.313 5.744 1.00 14.30 C ATOM 188 C ILE A 12 3.337 -5.044 6.538 1.00 34.53 C ATOM 189 O ILE A 12 4.288 -4.464 6.012 1.00 53.45 O ATOM 190 CB ILE A 12 1.008 -4.201 6.059 1.00 71.52 C ATOM 191 CG1 ILE A 12 -0.294 -4.453 5.285 1.00 2.15 C ATOM 192 CG2 ILE A 12 1.578 -2.823 5.716 1.00 24.33 C ATOM 193 CD1 ILE A 12 -1.412 -3.488 5.628 1.00 51.15 C ATOM 0 H ILE A 12 0.567 -6.647 6.439 1.00 31.12 H new ATOM 0 HA ILE A 12 2.279 -5.291 4.680 1.00 14.30 H new ATOM 0 HB ILE A 12 0.788 -4.224 7.126 1.00 71.52 H new ATOM 0 HG12 ILE A 12 -0.088 -4.389 4.217 1.00 2.15 H new ATOM 0 HG13 ILE A 12 -0.632 -5.470 5.484 1.00 2.15 H new ATOM 0 HG21 ILE A 12 0.838 -2.056 5.943 1.00 24.33 H new ATOM 0 HG22 ILE A 12 2.478 -2.645 6.305 1.00 24.33 H new ATOM 0 HG23 ILE A 12 1.825 -2.785 4.655 1.00 24.33 H new ATOM 0 HD11 ILE A 12 -2.297 -3.732 5.040 1.00 51.15 H new ATOM 0 HD12 ILE A 12 -1.648 -3.567 6.689 1.00 51.15 H new ATOM 0 HD13 ILE A 12 -1.096 -2.470 5.402 1.00 51.15 H new ATOM 205 N HIS A 13 3.373 -5.473 7.803 1.00 64.32 N ATOM 206 CA HIS A 13 4.577 -5.321 8.640 1.00 61.20 C ATOM 207 C HIS A 13 5.779 -6.112 8.084 1.00 60.33 C ATOM 208 O HIS A 13 6.918 -5.909 8.513 1.00 33.14 O ATOM 209 CB HIS A 13 4.291 -5.762 10.085 1.00 31.32 C ATOM 210 CG HIS A 13 3.546 -4.747 10.902 1.00 33.21 C ATOM 211 ND1 HIS A 13 4.215 -3.810 11.650 1.00 71.33 N ATOM 212 CD2 HIS A 13 2.212 -4.580 11.079 1.00 65.15 C ATOM 213 CE1 HIS A 13 3.285 -3.099 12.262 1.00 70.15 C ATOM 214 NE2 HIS A 13 2.054 -3.529 11.948 1.00 64.43 N ATOM 0 H HIS A 13 2.589 -5.927 8.272 1.00 64.32 H new ATOM 0 HA HIS A 13 4.839 -4.263 8.626 1.00 61.20 H new ATOM 0 HB2 HIS A 13 3.716 -6.688 10.063 1.00 31.32 H new ATOM 0 HB3 HIS A 13 5.237 -5.986 10.579 1.00 31.32 H new ATOM 0 HD2 HIS A 13 1.425 -5.162 10.624 1.00 65.15 H new ATOM 0 HE1 HIS A 13 3.490 -2.276 12.930 1.00 70.15 H new ATOM 0 HE2 HIS A 13 1.171 -3.149 12.289 1.00 64.43 H new ATOM 222 N GLN A 14 5.525 -7.007 7.133 1.00 34.21 N ATOM 223 CA GLN A 14 6.581 -7.851 6.555 1.00 42.31 C ATOM 224 C GLN A 14 7.108 -7.310 5.215 1.00 4.14 C ATOM 225 O GLN A 14 8.032 -7.884 4.637 1.00 1.00 O ATOM 226 CB GLN A 14 6.063 -9.283 6.365 1.00 53.25 C ATOM 227 CG GLN A 14 5.824 -10.028 7.670 1.00 3.11 C ATOM 228 CD GLN A 14 5.255 -11.418 7.453 1.00 3.03 C ATOM 229 OE1 GLN A 14 5.991 -12.388 7.286 1.00 13.44 O ATOM 230 NE2 GLN A 14 3.942 -11.530 7.461 1.00 54.15 N ATOM 0 H GLN A 14 4.597 -7.171 6.742 1.00 34.21 H new ATOM 0 HA GLN A 14 7.414 -7.842 7.258 1.00 42.31 H new ATOM 0 HB2 GLN A 14 5.131 -9.250 5.800 1.00 53.25 H new ATOM 0 HB3 GLN A 14 6.780 -9.842 5.764 1.00 53.25 H new ATOM 0 HG2 GLN A 14 6.764 -10.105 8.217 1.00 3.11 H new ATOM 0 HG3 GLN A 14 5.139 -9.452 8.293 1.00 3.11 H new ATOM 0 HE21 GLN A 14 3.361 -10.704 7.602 1.00 54.15 H new ATOM 0 HE22 GLN A 14 3.507 -12.443 7.326 1.00 54.15 H new ATOM 239 N ILE A 15 6.534 -6.212 4.722 1.00 14.41 N ATOM 240 CA ILE A 15 6.957 -5.645 3.435 1.00 22.23 C ATOM 241 C ILE A 15 8.275 -4.849 3.571 1.00 44.34 C ATOM 242 O ILE A 15 8.326 -3.826 4.258 1.00 73.44 O ATOM 243 CB ILE A 15 5.866 -4.730 2.820 1.00 63.04 C ATOM 244 CG1 ILE A 15 4.526 -5.480 2.730 1.00 1.45 C ATOM 245 CG2 ILE A 15 6.300 -4.248 1.433 1.00 44.21 C ATOM 246 CD1 ILE A 15 3.397 -4.647 2.160 1.00 54.14 C ATOM 0 H ILE A 15 5.783 -5.700 5.186 1.00 14.41 H new ATOM 0 HA ILE A 15 7.120 -6.491 2.767 1.00 22.23 H new ATOM 0 HB ILE A 15 5.734 -3.862 3.466 1.00 63.04 H new ATOM 0 HG12 ILE A 15 4.658 -6.368 2.112 1.00 1.45 H new ATOM 0 HG13 ILE A 15 4.245 -5.824 3.726 1.00 1.45 H new ATOM 0 HG21 ILE A 15 5.526 -3.607 1.012 1.00 44.21 H new ATOM 0 HG22 ILE A 15 7.230 -3.686 1.518 1.00 44.21 H new ATOM 0 HG23 ILE A 15 6.453 -5.108 0.781 1.00 44.21 H new ATOM 0 HD11 ILE A 15 2.485 -5.243 2.128 1.00 54.14 H new ATOM 0 HD12 ILE A 15 3.236 -3.772 2.790 1.00 54.14 H new ATOM 0 HD13 ILE A 15 3.656 -4.325 1.151 1.00 54.14 H new ATOM 258 N PRO A 16 9.356 -5.325 2.913 1.00 53.11 N ATOM 259 CA PRO A 16 10.694 -4.693 2.959 1.00 51.24 C ATOM 260 C PRO A 16 10.698 -3.183 2.637 1.00 32.35 C ATOM 261 O PRO A 16 9.896 -2.693 1.835 1.00 34.33 O ATOM 262 CB PRO A 16 11.481 -5.471 1.894 1.00 74.14 C ATOM 263 CG PRO A 16 10.820 -6.801 1.842 1.00 44.31 C ATOM 264 CD PRO A 16 9.360 -6.537 2.078 1.00 54.23 C ATOM 0 HA PRO A 16 11.113 -4.741 3.964 1.00 51.24 H new ATOM 0 HB2 PRO A 16 11.442 -4.970 0.927 1.00 74.14 H new ATOM 0 HB3 PRO A 16 12.533 -5.561 2.164 1.00 74.14 H new ATOM 0 HG2 PRO A 16 10.980 -7.281 0.876 1.00 44.31 H new ATOM 0 HG3 PRO A 16 11.225 -7.470 2.601 1.00 44.31 H new ATOM 0 HD2 PRO A 16 8.825 -6.380 1.141 1.00 54.23 H new ATOM 0 HD3 PRO A 16 8.878 -7.374 2.584 1.00 54.23 H new ATOM 272 N LYS A 17 11.630 -2.465 3.265 1.00 60.03 N ATOM 273 CA LYS A 17 11.774 -1.012 3.094 1.00 41.31 C ATOM 274 C LYS A 17 11.959 -0.630 1.610 1.00 52.31 C ATOM 275 O LYS A 17 12.873 -1.122 0.943 1.00 30.44 O ATOM 276 CB LYS A 17 12.983 -0.524 3.911 1.00 63.32 C ATOM 277 CG LYS A 17 13.038 0.987 4.129 1.00 24.24 C ATOM 278 CD LYS A 17 11.935 1.466 5.075 1.00 2.00 C ATOM 279 CE LYS A 17 12.140 2.919 5.498 1.00 54.41 C ATOM 280 NZ LYS A 17 12.119 3.851 4.340 1.00 63.34 N ATOM 0 H LYS A 17 12.309 -2.872 3.908 1.00 60.03 H new ATOM 0 HA LYS A 17 10.861 -0.533 3.449 1.00 41.31 H new ATOM 0 HB2 LYS A 17 12.971 -1.017 4.883 1.00 63.32 H new ATOM 0 HB3 LYS A 17 13.896 -0.838 3.406 1.00 63.32 H new ATOM 0 HG2 LYS A 17 14.011 1.260 4.538 1.00 24.24 H new ATOM 0 HG3 LYS A 17 12.941 1.496 3.170 1.00 24.24 H new ATOM 0 HD2 LYS A 17 10.967 1.363 4.585 1.00 2.00 H new ATOM 0 HD3 LYS A 17 11.914 0.830 5.960 1.00 2.00 H new ATOM 0 HE2 LYS A 17 11.360 3.203 6.205 1.00 54.41 H new ATOM 0 HE3 LYS A 17 13.092 3.012 6.020 1.00 54.41 H new ATOM 0 HZ1 LYS A 17 12.850 4.579 4.467 1.00 63.34 H new ATOM 0 HZ2 LYS A 17 12.306 3.321 3.465 1.00 63.34 H new ATOM 0 HZ3 LYS A 17 11.186 4.305 4.277 1.00 63.34 H new ATOM 294 N GLY A 18 11.088 0.239 1.097 1.00 14.24 N ATOM 295 CA GLY A 18 11.208 0.710 -0.285 1.00 24.32 C ATOM 296 C GLY A 18 10.279 0.004 -1.277 1.00 24.24 C ATOM 297 O GLY A 18 10.149 0.442 -2.423 1.00 13.01 O ATOM 0 H GLY A 18 10.298 0.629 1.611 1.00 14.24 H new ATOM 0 HA2 GLY A 18 11.001 1.780 -0.311 1.00 24.32 H new ATOM 0 HA3 GLY A 18 12.239 0.577 -0.613 1.00 24.32 H new ATOM 301 N LYS A 19 9.634 -1.086 -0.855 1.00 50.12 N ATOM 302 CA LYS A 19 8.715 -1.828 -1.735 1.00 43.40 C ATOM 303 C LYS A 19 7.240 -1.554 -1.409 1.00 14.32 C ATOM 304 O LYS A 19 6.901 -1.049 -0.333 1.00 40.55 O ATOM 305 CB LYS A 19 8.988 -3.341 -1.663 1.00 42.44 C ATOM 306 CG LYS A 19 10.263 -3.779 -2.380 1.00 74.11 C ATOM 307 CD LYS A 19 10.287 -3.295 -3.830 1.00 33.34 C ATOM 308 CE LYS A 19 11.432 -3.906 -4.631 1.00 13.35 C ATOM 309 NZ LYS A 19 11.215 -5.354 -4.904 1.00 1.35 N ATOM 0 H LYS A 19 9.727 -1.476 0.083 1.00 50.12 H new ATOM 0 HA LYS A 19 8.904 -1.472 -2.748 1.00 43.40 H new ATOM 0 HB2 LYS A 19 9.052 -3.638 -0.616 1.00 42.44 H new ATOM 0 HB3 LYS A 19 8.140 -3.873 -2.094 1.00 42.44 H new ATOM 0 HG2 LYS A 19 11.132 -3.388 -1.851 1.00 74.11 H new ATOM 0 HG3 LYS A 19 10.339 -4.866 -2.357 1.00 74.11 H new ATOM 0 HD2 LYS A 19 9.340 -3.544 -4.308 1.00 33.34 H new ATOM 0 HD3 LYS A 19 10.376 -2.209 -3.846 1.00 33.34 H new ATOM 0 HE2 LYS A 19 11.539 -3.372 -5.575 1.00 13.35 H new ATOM 0 HE3 LYS A 19 12.366 -3.777 -4.084 1.00 13.35 H new ATOM 0 HZ1 LYS A 19 11.782 -5.641 -5.728 1.00 1.35 H new ATOM 0 HZ2 LYS A 19 11.504 -5.911 -4.074 1.00 1.35 H new ATOM 0 HZ3 LYS A 19 10.208 -5.523 -5.101 1.00 1.35 H new ATOM 323 N VAL A 20 6.367 -1.895 -2.362 1.00 1.41 N ATOM 324 CA VAL A 20 4.918 -1.737 -2.200 1.00 63.24 C ATOM 325 C VAL A 20 4.168 -3.027 -2.589 1.00 44.40 C ATOM 326 O VAL A 20 4.756 -3.965 -3.134 1.00 34.34 O ATOM 327 CB VAL A 20 4.378 -0.555 -3.052 1.00 65.12 C ATOM 328 CG1 VAL A 20 5.026 0.763 -2.632 1.00 23.13 C ATOM 329 CG2 VAL A 20 4.594 -0.814 -4.543 1.00 32.42 C ATOM 0 H VAL A 20 6.643 -2.286 -3.263 1.00 1.41 H new ATOM 0 HA VAL A 20 4.740 -1.525 -1.146 1.00 63.24 H new ATOM 0 HB VAL A 20 3.306 -0.476 -2.873 1.00 65.12 H new ATOM 0 HG11 VAL A 20 4.631 1.574 -3.244 1.00 23.13 H new ATOM 0 HG12 VAL A 20 4.805 0.959 -1.583 1.00 23.13 H new ATOM 0 HG13 VAL A 20 6.105 0.698 -2.769 1.00 23.13 H new ATOM 0 HG21 VAL A 20 4.208 0.027 -5.118 1.00 32.42 H new ATOM 0 HG22 VAL A 20 5.659 -0.931 -4.741 1.00 32.42 H new ATOM 0 HG23 VAL A 20 4.069 -1.724 -4.834 1.00 32.42 H new ATOM 339 N SER A 21 2.869 -3.067 -2.303 1.00 1.23 N ATOM 340 CA SER A 21 2.026 -4.233 -2.623 1.00 30.31 C ATOM 341 C SER A 21 0.594 -3.791 -2.957 1.00 34.00 C ATOM 342 O SER A 21 0.248 -2.622 -2.797 1.00 41.31 O ATOM 343 CB SER A 21 1.997 -5.228 -1.448 1.00 14.22 C ATOM 344 OG SER A 21 3.295 -5.696 -1.125 1.00 21.04 O ATOM 0 H SER A 21 2.368 -2.304 -1.848 1.00 1.23 H new ATOM 0 HA SER A 21 2.459 -4.727 -3.493 1.00 30.31 H new ATOM 0 HB2 SER A 21 1.556 -4.747 -0.575 1.00 14.22 H new ATOM 0 HB3 SER A 21 1.358 -6.074 -1.703 1.00 14.22 H new ATOM 0 HG SER A 21 3.317 -5.979 -0.187 1.00 21.04 H new ATOM 350 N THR A 22 -0.238 -4.723 -3.421 1.00 51.35 N ATOM 351 CA THR A 22 -1.633 -4.404 -3.771 1.00 62.23 C ATOM 352 C THR A 22 -2.619 -4.957 -2.736 1.00 21.12 C ATOM 353 O THR A 22 -2.300 -5.896 -2.002 1.00 11.03 O ATOM 354 CB THR A 22 -2.025 -4.976 -5.154 1.00 42.24 C ATOM 355 OG1 THR A 22 -2.104 -6.408 -5.092 1.00 3.13 O ATOM 356 CG2 THR A 22 -1.016 -4.564 -6.220 1.00 72.43 C ATOM 0 H THR A 22 0.021 -5.699 -3.564 1.00 51.35 H new ATOM 0 HA THR A 22 -1.691 -3.316 -3.793 1.00 62.23 H new ATOM 0 HB THR A 22 -3.000 -4.571 -5.424 1.00 42.24 H new ATOM 0 HG1 THR A 22 -2.354 -6.760 -5.972 1.00 3.13 H new ATOM 0 HG21 THR A 22 -1.314 -4.979 -7.183 1.00 72.43 H new ATOM 0 HG22 THR A 22 -0.982 -3.477 -6.288 1.00 72.43 H new ATOM 0 HG23 THR A 22 -0.029 -4.942 -5.952 1.00 72.43 H new ATOM 364 N TYR A 23 -3.818 -4.368 -2.685 1.00 12.33 N ATOM 365 CA TYR A 23 -4.888 -4.854 -1.800 1.00 71.31 C ATOM 366 C TYR A 23 -5.168 -6.345 -2.029 1.00 1.04 C ATOM 367 O TYR A 23 -5.374 -7.106 -1.079 1.00 24.31 O ATOM 368 CB TYR A 23 -6.180 -4.051 -2.020 1.00 3.03 C ATOM 369 CG TYR A 23 -6.056 -2.585 -1.664 1.00 20.42 C ATOM 370 CD1 TYR A 23 -5.929 -2.184 -0.340 1.00 10.23 C ATOM 371 CD2 TYR A 23 -6.062 -1.600 -2.649 1.00 50.31 C ATOM 372 CE1 TYR A 23 -5.816 -0.853 -0.005 1.00 53.34 C ATOM 373 CE2 TYR A 23 -5.948 -0.264 -2.319 1.00 63.33 C ATOM 374 CZ TYR A 23 -5.825 0.102 -0.995 1.00 64.02 C ATOM 375 OH TYR A 23 -5.711 1.429 -0.657 1.00 64.22 O ATOM 0 H TYR A 23 -4.074 -3.555 -3.245 1.00 12.33 H new ATOM 0 HA TYR A 23 -4.548 -4.717 -0.773 1.00 71.31 H new ATOM 0 HB2 TYR A 23 -6.477 -4.138 -3.065 1.00 3.03 H new ATOM 0 HB3 TYR A 23 -6.978 -4.494 -1.424 1.00 3.03 H new ATOM 0 HD1 TYR A 23 -5.919 -2.930 0.441 1.00 10.23 H new ATOM 0 HD2 TYR A 23 -6.157 -1.885 -3.686 1.00 50.31 H new ATOM 0 HE1 TYR A 23 -5.721 -0.560 1.030 1.00 53.34 H new ATOM 0 HE2 TYR A 23 -5.955 0.489 -3.093 1.00 63.33 H new ATOM 0 HH TYR A 23 -4.770 1.645 -0.491 1.00 64.22 H new ATOM 385 N GLY A 24 -5.168 -6.751 -3.300 1.00 75.33 N ATOM 386 CA GLY A 24 -5.398 -8.145 -3.648 1.00 63.22 C ATOM 387 C GLY A 24 -4.356 -9.084 -3.051 1.00 4.40 C ATOM 388 O GLY A 24 -4.700 -10.035 -2.349 1.00 52.32 O ATOM 0 H GLY A 24 -5.012 -6.135 -4.098 1.00 75.33 H new ATOM 0 HA2 GLY A 24 -6.388 -8.442 -3.302 1.00 63.22 H new ATOM 0 HA3 GLY A 24 -5.395 -8.249 -4.733 1.00 63.22 H new ATOM 392 N GLU A 25 -3.076 -8.805 -3.311 1.00 74.50 N ATOM 393 CA GLU A 25 -1.985 -9.655 -2.819 1.00 73.42 C ATOM 394 C GLU A 25 -1.991 -9.757 -1.283 1.00 30.03 C ATOM 395 O GLU A 25 -1.960 -10.859 -0.729 1.00 51.15 O ATOM 396 CB GLU A 25 -0.625 -9.126 -3.307 1.00 1.25 C ATOM 397 CG GLU A 25 -0.501 -9.028 -4.827 1.00 2.33 C ATOM 398 CD GLU A 25 -0.846 -10.326 -5.541 1.00 62.13 C ATOM 399 OE1 GLU A 25 0.002 -11.245 -5.560 1.00 31.12 O ATOM 400 OE2 GLU A 25 -1.965 -10.432 -6.090 1.00 24.15 O ATOM 0 H GLU A 25 -2.769 -8.000 -3.857 1.00 74.50 H new ATOM 0 HA GLU A 25 -2.145 -10.655 -3.222 1.00 73.42 H new ATOM 0 HB2 GLU A 25 -0.455 -8.140 -2.875 1.00 1.25 H new ATOM 0 HB3 GLU A 25 0.163 -9.779 -2.931 1.00 1.25 H new ATOM 0 HG2 GLU A 25 -1.157 -8.236 -5.188 1.00 2.33 H new ATOM 0 HG3 GLU A 25 0.518 -8.739 -5.084 1.00 2.33 H new ATOM 407 N ILE A 26 -2.042 -8.609 -0.604 1.00 20.51 N ATOM 408 CA ILE A 26 -2.059 -8.578 0.868 1.00 33.31 C ATOM 409 C ILE A 26 -3.177 -9.469 1.432 1.00 65.32 C ATOM 410 O ILE A 26 -2.956 -10.265 2.349 1.00 42.24 O ATOM 411 CB ILE A 26 -2.241 -7.129 1.401 1.00 53.05 C ATOM 412 CG1 ILE A 26 -1.079 -6.232 0.937 1.00 53.01 C ATOM 413 CG2 ILE A 26 -2.352 -7.116 2.929 1.00 63.11 C ATOM 414 CD1 ILE A 26 0.277 -6.653 1.466 1.00 35.43 C ATOM 0 H ILE A 26 -2.072 -7.689 -1.044 1.00 20.51 H new ATOM 0 HA ILE A 26 -1.095 -8.961 1.203 1.00 33.31 H new ATOM 0 HB ILE A 26 -3.170 -6.733 0.991 1.00 53.05 H new ATOM 0 HG12 ILE A 26 -1.048 -6.231 -0.153 1.00 53.01 H new ATOM 0 HG13 ILE A 26 -1.277 -5.207 1.251 1.00 53.01 H new ATOM 0 HG21 ILE A 26 -2.479 -6.090 3.276 1.00 63.11 H new ATOM 0 HG22 ILE A 26 -3.211 -7.712 3.236 1.00 63.11 H new ATOM 0 HG23 ILE A 26 -1.445 -7.537 3.363 1.00 63.11 H new ATOM 0 HD11 ILE A 26 1.041 -5.971 1.093 1.00 35.43 H new ATOM 0 HD12 ILE A 26 0.267 -6.626 2.556 1.00 35.43 H new ATOM 0 HD13 ILE A 26 0.500 -7.666 1.130 1.00 35.43 H new ATOM 426 N ALA A 27 -4.373 -9.341 0.861 1.00 42.53 N ATOM 427 CA ALA A 27 -5.523 -10.145 1.285 1.00 44.35 C ATOM 428 C ALA A 27 -5.303 -11.651 1.027 1.00 60.14 C ATOM 429 O ALA A 27 -5.762 -12.496 1.801 1.00 75.42 O ATOM 430 CB ALA A 27 -6.786 -9.664 0.583 1.00 24.32 C ATOM 0 H ALA A 27 -4.574 -8.689 0.103 1.00 42.53 H new ATOM 0 HA ALA A 27 -5.638 -10.014 2.361 1.00 44.35 H new ATOM 0 HB1 ALA A 27 -7.634 -10.268 0.905 1.00 24.32 H new ATOM 0 HB2 ALA A 27 -6.968 -8.619 0.836 1.00 24.32 H new ATOM 0 HB3 ALA A 27 -6.662 -9.760 -0.496 1.00 24.32 H new ATOM 436 N LYS A 28 -4.600 -11.980 -0.061 1.00 21.32 N ATOM 437 CA LYS A 28 -4.297 -13.379 -0.407 1.00 32.11 C ATOM 438 C LYS A 28 -3.458 -14.069 0.680 1.00 61.55 C ATOM 439 O LYS A 28 -3.862 -15.102 1.217 1.00 34.51 O ATOM 440 CB LYS A 28 -3.570 -13.447 -1.758 1.00 3.44 C ATOM 441 CG LYS A 28 -4.431 -13.012 -2.938 1.00 4.25 C ATOM 442 CD LYS A 28 -3.632 -12.969 -4.235 1.00 23.12 C ATOM 443 CE LYS A 28 -4.487 -12.501 -5.405 1.00 42.23 C ATOM 444 NZ LYS A 28 -3.721 -12.482 -6.677 1.00 41.03 N ATOM 0 H LYS A 28 -4.228 -11.297 -0.721 1.00 21.32 H new ATOM 0 HA LYS A 28 -5.245 -13.911 -0.480 1.00 32.11 H new ATOM 0 HB2 LYS A 28 -2.682 -12.816 -1.715 1.00 3.44 H new ATOM 0 HB3 LYS A 28 -3.228 -14.468 -1.926 1.00 3.44 H new ATOM 0 HG2 LYS A 28 -5.269 -13.700 -3.050 1.00 4.25 H new ATOM 0 HG3 LYS A 28 -4.852 -12.027 -2.737 1.00 4.25 H new ATOM 0 HD2 LYS A 28 -2.780 -12.300 -4.116 1.00 23.12 H new ATOM 0 HD3 LYS A 28 -3.232 -13.960 -4.450 1.00 23.12 H new ATOM 0 HE2 LYS A 28 -5.350 -13.159 -5.510 1.00 42.23 H new ATOM 0 HE3 LYS A 28 -4.871 -11.502 -5.197 1.00 42.23 H new ATOM 0 HZ1 LYS A 28 -4.379 -12.392 -7.477 1.00 41.03 H new ATOM 0 HZ2 LYS A 28 -3.065 -11.675 -6.675 1.00 41.03 H new ATOM 0 HZ3 LYS A 28 -3.182 -13.366 -6.771 1.00 41.03 H new ATOM 458 N MET A 29 -2.293 -13.503 1.006 1.00 53.23 N ATOM 459 CA MET A 29 -1.449 -14.060 2.074 1.00 23.14 C ATOM 460 C MET A 29 -2.135 -13.952 3.448 1.00 43.10 C ATOM 461 O MET A 29 -1.831 -14.711 4.371 1.00 53.34 O ATOM 462 CB MET A 29 -0.071 -13.376 2.115 1.00 33.13 C ATOM 463 CG MET A 29 0.800 -13.668 0.894 1.00 12.12 C ATOM 464 SD MET A 29 0.400 -12.633 -0.528 1.00 14.33 S ATOM 465 CE MET A 29 1.028 -11.048 0.030 1.00 1.21 C ATOM 0 H MET A 29 -1.914 -12.671 0.555 1.00 53.23 H new ATOM 0 HA MET A 29 -1.302 -15.116 1.846 1.00 23.14 H new ATOM 0 HB2 MET A 29 -0.213 -12.299 2.199 1.00 33.13 H new ATOM 0 HB3 MET A 29 0.458 -13.698 3.012 1.00 33.13 H new ATOM 0 HG2 MET A 29 1.847 -13.521 1.159 1.00 12.12 H new ATOM 0 HG3 MET A 29 0.686 -14.716 0.616 1.00 12.12 H new ATOM 0 HE1 MET A 29 1.170 -10.391 -0.828 1.00 1.21 H new ATOM 0 HE2 MET A 29 0.315 -10.596 0.719 1.00 1.21 H new ATOM 0 HE3 MET A 29 1.981 -11.193 0.538 1.00 1.21 H new ATOM 475 N ALA A 30 -3.060 -13.000 3.583 1.00 32.41 N ATOM 476 CA ALA A 30 -3.864 -12.864 4.804 1.00 64.23 C ATOM 477 C ALA A 30 -4.880 -14.011 4.938 1.00 51.55 C ATOM 478 O ALA A 30 -5.226 -14.427 6.047 1.00 61.41 O ATOM 479 CB ALA A 30 -4.581 -11.517 4.815 1.00 34.20 C ATOM 0 H ALA A 30 -3.273 -12.310 2.862 1.00 32.41 H new ATOM 0 HA ALA A 30 -3.189 -12.915 5.658 1.00 64.23 H new ATOM 0 HB1 ALA A 30 -5.174 -11.428 5.725 1.00 34.20 H new ATOM 0 HB2 ALA A 30 -3.846 -10.713 4.781 1.00 34.20 H new ATOM 0 HB3 ALA A 30 -5.236 -11.447 3.947 1.00 34.20 H new ATOM 485 N GLY A 31 -5.342 -14.529 3.799 1.00 43.05 N ATOM 486 CA GLY A 31 -6.315 -15.620 3.797 1.00 24.01 C ATOM 487 C GLY A 31 -7.743 -15.152 3.537 1.00 52.43 C ATOM 488 O GLY A 31 -8.697 -15.907 3.719 1.00 25.32 O ATOM 0 H GLY A 31 -5.060 -14.212 2.871 1.00 43.05 H new ATOM 0 HA2 GLY A 31 -6.034 -16.347 3.035 1.00 24.01 H new ATOM 0 HA3 GLY A 31 -6.277 -16.133 4.758 1.00 24.01 H new ATOM 492 N TYR A 32 -7.893 -13.899 3.108 1.00 43.41 N ATOM 493 CA TYR A 32 -9.215 -13.324 2.816 1.00 31.24 C ATOM 494 C TYR A 32 -9.172 -12.467 1.535 1.00 4.13 C ATOM 495 O TYR A 32 -9.435 -11.262 1.574 1.00 63.15 O ATOM 496 CB TYR A 32 -9.700 -12.473 4.004 1.00 61.40 C ATOM 497 CG TYR A 32 -9.805 -13.235 5.316 1.00 61.30 C ATOM 498 CD1 TYR A 32 -10.933 -13.995 5.615 1.00 74.02 C ATOM 499 CD2 TYR A 32 -8.774 -13.201 6.253 1.00 70.05 C ATOM 500 CE1 TYR A 32 -11.030 -14.693 6.804 1.00 33.13 C ATOM 501 CE2 TYR A 32 -8.865 -13.898 7.442 1.00 54.11 C ATOM 502 CZ TYR A 32 -9.995 -14.643 7.713 1.00 62.14 C ATOM 503 OH TYR A 32 -10.087 -15.344 8.895 1.00 43.52 O ATOM 0 H TYR A 32 -7.115 -13.257 2.953 1.00 43.41 H new ATOM 0 HA TYR A 32 -9.914 -14.145 2.657 1.00 31.24 H new ATOM 0 HB2 TYR A 32 -9.017 -11.634 4.138 1.00 61.40 H new ATOM 0 HB3 TYR A 32 -10.676 -12.054 3.761 1.00 61.40 H new ATOM 0 HD1 TYR A 32 -11.746 -14.040 4.906 1.00 74.02 H new ATOM 0 HD2 TYR A 32 -7.888 -12.619 6.046 1.00 70.05 H new ATOM 0 HE1 TYR A 32 -11.913 -15.275 7.020 1.00 33.13 H new ATOM 0 HE2 TYR A 32 -8.056 -13.860 8.156 1.00 54.11 H new ATOM 0 HH TYR A 32 -9.273 -15.203 9.423 1.00 43.52 H new ATOM 513 N PRO A 33 -8.867 -13.083 0.372 1.00 33.43 N ATOM 514 CA PRO A 33 -8.661 -12.348 -0.895 1.00 61.02 C ATOM 515 C PRO A 33 -9.911 -11.595 -1.385 1.00 61.44 C ATOM 516 O PRO A 33 -9.805 -10.581 -2.081 1.00 75.24 O ATOM 517 CB PRO A 33 -8.266 -13.454 -1.889 1.00 55.22 C ATOM 518 CG PRO A 33 -8.808 -14.712 -1.298 1.00 22.51 C ATOM 519 CD PRO A 33 -8.708 -14.540 0.192 1.00 32.41 C ATOM 0 HA PRO A 33 -7.912 -11.565 -0.779 1.00 61.02 H new ATOM 0 HB2 PRO A 33 -8.688 -13.267 -2.876 1.00 55.22 H new ATOM 0 HB3 PRO A 33 -7.184 -13.508 -2.010 1.00 55.22 H new ATOM 0 HG2 PRO A 33 -9.841 -14.875 -1.604 1.00 22.51 H new ATOM 0 HG3 PRO A 33 -8.237 -15.578 -1.631 1.00 22.51 H new ATOM 0 HD2 PRO A 33 -9.485 -15.098 0.715 1.00 32.41 H new ATOM 0 HD3 PRO A 33 -7.750 -14.891 0.575 1.00 32.41 H new ATOM 527 N GLY A 34 -11.092 -12.087 -1.014 1.00 35.34 N ATOM 528 CA GLY A 34 -12.336 -11.456 -1.439 1.00 12.12 C ATOM 529 C GLY A 34 -12.588 -10.103 -0.771 1.00 13.03 C ATOM 530 O GLY A 34 -13.355 -9.281 -1.278 1.00 41.00 O ATOM 0 H GLY A 34 -11.212 -12.912 -0.426 1.00 35.34 H new ATOM 0 HA2 GLY A 34 -12.316 -11.321 -2.520 1.00 12.12 H new ATOM 0 HA3 GLY A 34 -13.168 -12.124 -1.217 1.00 12.12 H new ATOM 534 N TYR A 35 -11.929 -9.865 0.362 1.00 74.42 N ATOM 535 CA TYR A 35 -12.130 -8.637 1.148 1.00 74.34 C ATOM 536 C TYR A 35 -11.141 -7.524 0.751 1.00 11.13 C ATOM 537 O TYR A 35 -10.801 -6.662 1.565 1.00 41.12 O ATOM 538 CB TYR A 35 -11.996 -8.960 2.642 1.00 35.50 C ATOM 539 CG TYR A 35 -13.084 -9.879 3.173 1.00 53.41 C ATOM 540 CD1 TYR A 35 -13.026 -11.254 2.967 1.00 4.45 C ATOM 541 CD2 TYR A 35 -14.168 -9.368 3.881 1.00 14.33 C ATOM 542 CE1 TYR A 35 -14.014 -12.090 3.451 1.00 52.12 C ATOM 543 CE2 TYR A 35 -15.158 -10.199 4.366 1.00 63.14 C ATOM 544 CZ TYR A 35 -15.077 -11.558 4.149 1.00 71.12 C ATOM 545 OH TYR A 35 -16.064 -12.387 4.634 1.00 64.41 O ATOM 0 H TYR A 35 -11.246 -10.508 0.763 1.00 74.42 H new ATOM 0 HA TYR A 35 -13.132 -8.264 0.937 1.00 74.34 H new ATOM 0 HB2 TYR A 35 -11.025 -9.423 2.818 1.00 35.50 H new ATOM 0 HB3 TYR A 35 -12.012 -8.029 3.208 1.00 35.50 H new ATOM 0 HD1 TYR A 35 -12.195 -11.675 2.420 1.00 4.45 H new ATOM 0 HD2 TYR A 35 -14.236 -8.304 4.054 1.00 14.33 H new ATOM 0 HE1 TYR A 35 -13.954 -13.155 3.283 1.00 52.12 H new ATOM 0 HE2 TYR A 35 -15.993 -9.786 4.913 1.00 63.14 H new ATOM 0 HH TYR A 35 -16.739 -11.853 5.103 1.00 64.41 H new ATOM 555 N ALA A 36 -10.725 -7.521 -0.517 1.00 12.41 N ATOM 556 CA ALA A 36 -9.767 -6.529 -1.034 1.00 20.34 C ATOM 557 C ALA A 36 -10.185 -5.078 -0.714 1.00 3.01 C ATOM 558 O ALA A 36 -9.343 -4.240 -0.380 1.00 44.55 O ATOM 559 CB ALA A 36 -9.595 -6.706 -2.540 1.00 52.51 C ATOM 0 H ALA A 36 -11.037 -8.198 -1.213 1.00 12.41 H new ATOM 0 HA ALA A 36 -8.817 -6.706 -0.530 1.00 20.34 H new ATOM 0 HB1 ALA A 36 -8.885 -5.969 -2.914 1.00 52.51 H new ATOM 0 HB2 ALA A 36 -9.221 -7.708 -2.748 1.00 52.51 H new ATOM 0 HB3 ALA A 36 -10.556 -6.568 -3.035 1.00 52.51 H new ATOM 565 N ARG A 37 -11.482 -4.785 -0.818 1.00 70.54 N ATOM 566 CA ARG A 37 -11.995 -3.441 -0.512 1.00 15.52 C ATOM 567 C ARG A 37 -11.869 -3.124 0.988 1.00 70.51 C ATOM 568 O ARG A 37 -11.576 -1.988 1.376 1.00 43.35 O ATOM 569 CB ARG A 37 -13.465 -3.311 -0.951 1.00 61.13 C ATOM 570 CG ARG A 37 -14.062 -1.921 -0.717 1.00 21.34 C ATOM 571 CD ARG A 37 -13.321 -0.846 -1.510 1.00 71.44 C ATOM 572 NE ARG A 37 -13.855 0.497 -1.272 1.00 61.32 N ATOM 573 CZ ARG A 37 -14.164 1.338 -2.223 1.00 62.54 C ATOM 574 NH1 ARG A 37 -14.112 0.977 -3.464 1.00 41.43 N ATOM 575 NH2 ARG A 37 -14.551 2.535 -1.930 1.00 63.25 N ATOM 0 H ARG A 37 -12.196 -5.453 -1.110 1.00 70.54 H new ATOM 0 HA ARG A 37 -11.391 -2.723 -1.067 1.00 15.52 H new ATOM 0 HB2 ARG A 37 -13.540 -3.554 -2.011 1.00 61.13 H new ATOM 0 HB3 ARG A 37 -14.061 -4.047 -0.412 1.00 61.13 H new ATOM 0 HG2 ARG A 37 -15.114 -1.924 -1.003 1.00 21.34 H new ATOM 0 HG3 ARG A 37 -14.021 -1.682 0.346 1.00 21.34 H new ATOM 0 HD2 ARG A 37 -12.265 -0.866 -1.243 1.00 71.44 H new ATOM 0 HD3 ARG A 37 -13.385 -1.075 -2.574 1.00 71.44 H new ATOM 0 HE ARG A 37 -13.994 0.793 -0.306 1.00 61.32 H new ATOM 0 HH11 ARG A 37 -13.828 0.028 -3.708 1.00 41.43 H new ATOM 0 HH12 ARG A 37 -14.355 1.641 -4.199 1.00 41.43 H new ATOM 0 HH21 ARG A 37 -14.616 2.826 -0.954 1.00 63.25 H new ATOM 0 HH22 ARG A 37 -14.792 3.190 -2.674 1.00 63.25 H new ATOM 589 N HIS A 38 -12.074 -4.139 1.823 1.00 23.34 N ATOM 590 CA HIS A 38 -12.034 -3.973 3.278 1.00 65.25 C ATOM 591 C HIS A 38 -10.605 -3.705 3.773 1.00 63.40 C ATOM 592 O HIS A 38 -10.408 -3.041 4.792 1.00 62.52 O ATOM 593 CB HIS A 38 -12.626 -5.208 3.964 1.00 41.21 C ATOM 594 CG HIS A 38 -14.051 -5.464 3.581 1.00 25.32 C ATOM 595 ND1 HIS A 38 -15.093 -4.972 4.327 1.00 13.33 N ATOM 596 CD2 HIS A 38 -14.552 -6.145 2.522 1.00 20.01 C ATOM 597 CE1 HIS A 38 -16.195 -5.359 3.714 1.00 3.22 C ATOM 598 NE2 HIS A 38 -15.917 -6.073 2.615 1.00 23.32 N ATOM 0 H HIS A 38 -12.271 -5.092 1.517 1.00 23.34 H new ATOM 0 HA HIS A 38 -12.637 -3.103 3.538 1.00 65.25 H new ATOM 0 HB2 HIS A 38 -12.025 -6.081 3.710 1.00 41.21 H new ATOM 0 HB3 HIS A 38 -12.563 -5.081 5.045 1.00 41.21 H new ATOM 0 HD2 HIS A 38 -13.985 -6.648 1.753 1.00 20.01 H new ATOM 0 HE1 HIS A 38 -17.194 -5.130 4.055 1.00 3.22 H new ATOM 0 HE2 HIS A 38 -16.592 -6.484 1.971 1.00 23.32 H new ATOM 606 N VAL A 39 -9.611 -4.219 3.044 1.00 60.15 N ATOM 607 CA VAL A 39 -8.205 -3.899 3.331 1.00 33.23 C ATOM 608 C VAL A 39 -7.988 -2.375 3.288 1.00 62.14 C ATOM 609 O VAL A 39 -7.398 -1.789 4.200 1.00 25.41 O ATOM 610 CB VAL A 39 -7.237 -4.585 2.328 1.00 25.33 C ATOM 611 CG1 VAL A 39 -5.781 -4.310 2.706 1.00 15.33 C ATOM 612 CG2 VAL A 39 -7.505 -6.089 2.252 1.00 1.30 C ATOM 0 H VAL A 39 -9.749 -4.853 2.257 1.00 60.15 H new ATOM 0 HA VAL A 39 -7.984 -4.278 4.329 1.00 33.23 H new ATOM 0 HB VAL A 39 -7.417 -4.161 1.340 1.00 25.33 H new ATOM 0 HG11 VAL A 39 -5.121 -4.800 1.990 1.00 15.33 H new ATOM 0 HG12 VAL A 39 -5.598 -3.236 2.692 1.00 15.33 H new ATOM 0 HG13 VAL A 39 -5.585 -4.698 3.705 1.00 15.33 H new ATOM 0 HG21 VAL A 39 -6.815 -6.546 1.543 1.00 1.30 H new ATOM 0 HG22 VAL A 39 -7.362 -6.534 3.237 1.00 1.30 H new ATOM 0 HG23 VAL A 39 -8.530 -6.260 1.922 1.00 1.30 H new ATOM 622 N GLY A 40 -8.496 -1.745 2.226 1.00 15.42 N ATOM 623 CA GLY A 40 -8.445 -0.290 2.113 1.00 63.00 C ATOM 624 C GLY A 40 -9.277 0.408 3.182 1.00 52.23 C ATOM 625 O GLY A 40 -8.885 1.451 3.708 1.00 73.34 O ATOM 0 H GLY A 40 -8.943 -2.217 1.440 1.00 15.42 H new ATOM 0 HA2 GLY A 40 -7.409 0.041 2.190 1.00 63.00 H new ATOM 0 HA3 GLY A 40 -8.803 0.007 1.127 1.00 63.00 H new ATOM 629 N LYS A 41 -10.433 -0.177 3.504 1.00 41.34 N ATOM 630 CA LYS A 41 -11.298 0.333 4.573 1.00 45.24 C ATOM 631 C LYS A 41 -10.543 0.398 5.912 1.00 53.44 C ATOM 632 O LYS A 41 -10.765 1.299 6.726 1.00 63.11 O ATOM 633 CB LYS A 41 -12.538 -0.565 4.714 1.00 1.21 C ATOM 634 CG LYS A 41 -13.582 -0.048 5.704 1.00 12.12 C ATOM 635 CD LYS A 41 -14.254 1.235 5.215 1.00 70.24 C ATOM 636 CE LYS A 41 -15.054 1.004 3.936 1.00 71.10 C ATOM 637 NZ LYS A 41 -15.681 2.255 3.438 1.00 54.15 N ATOM 0 H LYS A 41 -10.794 -1.009 3.037 1.00 41.34 H new ATOM 0 HA LYS A 41 -11.609 1.343 4.308 1.00 45.24 H new ATOM 0 HB2 LYS A 41 -13.006 -0.674 3.736 1.00 1.21 H new ATOM 0 HB3 LYS A 41 -12.218 -1.559 5.028 1.00 1.21 H new ATOM 0 HG2 LYS A 41 -14.340 -0.815 5.864 1.00 12.12 H new ATOM 0 HG3 LYS A 41 -13.107 0.137 6.667 1.00 12.12 H new ATOM 0 HD2 LYS A 41 -14.915 1.618 5.993 1.00 70.24 H new ATOM 0 HD3 LYS A 41 -13.496 1.997 5.037 1.00 70.24 H new ATOM 0 HE2 LYS A 41 -14.398 0.596 3.167 1.00 71.10 H new ATOM 0 HE3 LYS A 41 -15.828 0.260 4.122 1.00 71.10 H new ATOM 0 HZ1 LYS A 41 -16.215 2.054 2.568 1.00 54.15 H new ATOM 0 HZ2 LYS A 41 -16.327 2.631 4.161 1.00 54.15 H new ATOM 0 HZ3 LYS A 41 -14.941 2.957 3.235 1.00 54.15 H new ATOM 651 N ALA A 42 -9.658 -0.571 6.135 1.00 72.42 N ATOM 652 CA ALA A 42 -8.817 -0.600 7.336 1.00 54.32 C ATOM 653 C ALA A 42 -7.728 0.484 7.292 1.00 63.13 C ATOM 654 O ALA A 42 -7.569 1.262 8.236 1.00 12.43 O ATOM 655 CB ALA A 42 -8.184 -1.976 7.493 1.00 33.53 C ATOM 0 H ALA A 42 -9.502 -1.352 5.498 1.00 72.42 H new ATOM 0 HA ALA A 42 -9.453 -0.393 8.196 1.00 54.32 H new ATOM 0 HB1 ALA A 42 -7.561 -1.990 8.387 1.00 33.53 H new ATOM 0 HB2 ALA A 42 -8.967 -2.728 7.585 1.00 33.53 H new ATOM 0 HB3 ALA A 42 -7.570 -2.196 6.620 1.00 33.53 H new ATOM 661 N LEU A 43 -6.986 0.532 6.186 1.00 31.34 N ATOM 662 CA LEU A 43 -5.894 1.500 6.021 1.00 3.11 C ATOM 663 C LEU A 43 -6.395 2.950 6.102 1.00 43.41 C ATOM 664 O LEU A 43 -5.710 3.827 6.630 1.00 62.20 O ATOM 665 CB LEU A 43 -5.186 1.268 4.684 1.00 70.03 C ATOM 666 CG LEU A 43 -4.601 -0.141 4.489 1.00 23.51 C ATOM 667 CD1 LEU A 43 -3.912 -0.256 3.133 1.00 3.15 C ATOM 668 CD2 LEU A 43 -3.633 -0.489 5.618 1.00 73.41 C ATOM 0 H LEU A 43 -7.119 -0.088 5.387 1.00 31.34 H new ATOM 0 HA LEU A 43 -5.192 1.346 6.840 1.00 3.11 H new ATOM 0 HB2 LEU A 43 -5.893 1.465 3.878 1.00 70.03 H new ATOM 0 HB3 LEU A 43 -4.380 1.995 4.587 1.00 70.03 H new ATOM 0 HG LEU A 43 -5.423 -0.856 4.516 1.00 23.51 H new ATOM 0 HD11 LEU A 43 -3.505 -1.260 3.016 1.00 3.15 H new ATOM 0 HD12 LEU A 43 -4.634 -0.062 2.340 1.00 3.15 H new ATOM 0 HD13 LEU A 43 -3.103 0.472 3.073 1.00 3.15 H new ATOM 0 HD21 LEU A 43 -3.232 -1.490 5.458 1.00 73.41 H new ATOM 0 HD22 LEU A 43 -2.815 0.231 5.631 1.00 73.41 H new ATOM 0 HD23 LEU A 43 -4.160 -0.457 6.572 1.00 73.41 H new ATOM 680 N GLY A 44 -7.598 3.192 5.585 1.00 62.44 N ATOM 681 CA GLY A 44 -8.186 4.527 5.636 1.00 15.21 C ATOM 682 C GLY A 44 -8.417 5.040 7.059 1.00 32.43 C ATOM 683 O GLY A 44 -8.659 6.230 7.266 1.00 4.41 O ATOM 0 H GLY A 44 -8.179 2.488 5.130 1.00 62.44 H new ATOM 0 HA2 GLY A 44 -7.533 5.223 5.109 1.00 15.21 H new ATOM 0 HA3 GLY A 44 -9.137 4.517 5.103 1.00 15.21 H new ATOM 687 N ASN A 45 -8.351 4.140 8.043 1.00 21.54 N ATOM 688 CA ASN A 45 -8.535 4.514 9.451 1.00 70.23 C ATOM 689 C ASN A 45 -7.184 4.781 10.146 1.00 53.20 C ATOM 690 O ASN A 45 -7.136 5.383 11.220 1.00 64.13 O ATOM 691 CB ASN A 45 -9.300 3.402 10.185 1.00 42.13 C ATOM 692 CG ASN A 45 -9.829 3.847 11.539 1.00 41.43 C ATOM 693 OD1 ASN A 45 -10.952 4.329 11.650 1.00 63.24 O ATOM 694 ND2 ASN A 45 -9.033 3.695 12.575 1.00 64.43 N ATOM 0 H ASN A 45 -8.172 3.147 7.893 1.00 21.54 H new ATOM 0 HA ASN A 45 -9.112 5.438 9.486 1.00 70.23 H new ATOM 0 HB2 ASN A 45 -10.133 3.070 9.565 1.00 42.13 H new ATOM 0 HB3 ASN A 45 -8.642 2.543 10.321 1.00 42.13 H new ATOM 0 HD21 ASN A 45 -9.344 3.981 13.503 1.00 64.43 H new ATOM 0 HD22 ASN A 45 -8.105 3.291 12.450 1.00 64.43 H new ATOM 701 N LEU A 46 -6.092 4.356 9.512 1.00 63.52 N ATOM 702 CA LEU A 46 -4.749 4.454 10.105 1.00 50.10 C ATOM 703 C LEU A 46 -4.117 5.848 9.912 1.00 70.14 C ATOM 704 O LEU A 46 -4.227 6.454 8.844 1.00 74.32 O ATOM 705 CB LEU A 46 -3.830 3.377 9.504 1.00 24.32 C ATOM 706 CG LEU A 46 -4.149 1.934 9.934 1.00 11.15 C ATOM 707 CD1 LEU A 46 -3.310 0.932 9.147 1.00 70.15 C ATOM 708 CD2 LEU A 46 -3.919 1.765 11.435 1.00 2.55 C ATOM 0 H LEU A 46 -6.107 3.937 8.582 1.00 63.52 H new ATOM 0 HA LEU A 46 -4.859 4.294 11.178 1.00 50.10 H new ATOM 0 HB2 LEU A 46 -3.888 3.437 8.417 1.00 24.32 H new ATOM 0 HB3 LEU A 46 -2.801 3.603 9.782 1.00 24.32 H new ATOM 0 HG LEU A 46 -5.199 1.737 9.718 1.00 11.15 H new ATOM 0 HD11 LEU A 46 -3.554 -0.080 9.470 1.00 70.15 H new ATOM 0 HD12 LEU A 46 -3.523 1.035 8.083 1.00 70.15 H new ATOM 0 HD13 LEU A 46 -2.252 1.124 9.325 1.00 70.15 H new ATOM 0 HD21 LEU A 46 -4.149 0.740 11.725 1.00 2.55 H new ATOM 0 HD22 LEU A 46 -2.878 1.984 11.670 1.00 2.55 H new ATOM 0 HD23 LEU A 46 -4.567 2.450 11.982 1.00 2.55 H new ATOM 720 N PRO A 47 -3.446 6.372 10.960 1.00 41.55 N ATOM 721 CA PRO A 47 -2.718 7.644 10.883 1.00 62.12 C ATOM 722 C PRO A 47 -1.296 7.479 10.319 1.00 54.33 C ATOM 723 O PRO A 47 -0.785 6.362 10.197 1.00 24.32 O ATOM 724 CB PRO A 47 -2.669 8.078 12.350 1.00 22.10 C ATOM 725 CG PRO A 47 -2.566 6.794 13.105 1.00 3.32 C ATOM 726 CD PRO A 47 -3.362 5.778 12.313 1.00 43.21 C ATOM 0 HA PRO A 47 -3.195 8.360 10.214 1.00 62.12 H new ATOM 0 HB2 PRO A 47 -1.814 8.726 12.546 1.00 22.10 H new ATOM 0 HB3 PRO A 47 -3.562 8.635 12.631 1.00 22.10 H new ATOM 0 HG2 PRO A 47 -1.526 6.483 13.205 1.00 3.32 H new ATOM 0 HG3 PRO A 47 -2.965 6.902 14.114 1.00 3.32 H new ATOM 0 HD2 PRO A 47 -2.866 4.808 12.294 1.00 43.21 H new ATOM 0 HD3 PRO A 47 -4.351 5.621 12.743 1.00 43.21 H new ATOM 734 N GLU A 48 -0.651 8.598 9.990 1.00 54.23 N ATOM 735 CA GLU A 48 0.718 8.571 9.455 1.00 75.14 C ATOM 736 C GLU A 48 1.758 8.407 10.575 1.00 42.51 C ATOM 737 O GLU A 48 2.930 8.132 10.314 1.00 3.33 O ATOM 738 CB GLU A 48 0.995 9.839 8.636 1.00 31.22 C ATOM 739 CG GLU A 48 0.810 11.137 9.416 1.00 3.31 C ATOM 740 CD GLU A 48 0.930 12.368 8.533 1.00 65.23 C ATOM 741 OE1 GLU A 48 -0.014 12.639 7.764 1.00 72.53 O ATOM 742 OE2 GLU A 48 1.966 13.057 8.595 1.00 10.22 O ATOM 0 H GLU A 48 -1.049 9.533 10.082 1.00 54.23 H new ATOM 0 HA GLU A 48 0.805 7.705 8.799 1.00 75.14 H new ATOM 0 HB2 GLU A 48 2.016 9.798 8.257 1.00 31.22 H new ATOM 0 HB3 GLU A 48 0.334 9.851 7.770 1.00 31.22 H new ATOM 0 HG2 GLU A 48 -0.168 11.132 9.896 1.00 3.31 H new ATOM 0 HG3 GLU A 48 1.555 11.189 10.210 1.00 3.31 H new ATOM 749 N GLY A 49 1.321 8.588 11.820 1.00 45.51 N ATOM 750 CA GLY A 49 2.183 8.331 12.968 1.00 43.14 C ATOM 751 C GLY A 49 2.017 6.914 13.511 1.00 14.51 C ATOM 752 O GLY A 49 1.459 6.711 14.590 1.00 32.53 O ATOM 0 H GLY A 49 0.382 8.909 12.057 1.00 45.51 H new ATOM 0 HA2 GLY A 49 3.223 8.488 12.681 1.00 43.14 H new ATOM 0 HA3 GLY A 49 1.958 9.049 13.757 1.00 43.14 H new ATOM 756 N SER A 50 2.490 5.931 12.752 1.00 33.30 N ATOM 757 CA SER A 50 2.356 4.516 13.127 1.00 70.54 C ATOM 758 C SER A 50 3.494 3.672 12.534 1.00 12.34 C ATOM 759 O SER A 50 4.115 4.061 11.543 1.00 53.24 O ATOM 760 CB SER A 50 0.998 3.966 12.657 1.00 42.13 C ATOM 761 OG SER A 50 0.841 4.091 11.249 1.00 2.32 O ATOM 0 H SER A 50 2.973 6.083 11.867 1.00 33.30 H new ATOM 0 HA SER A 50 2.414 4.452 14.214 1.00 70.54 H new ATOM 0 HB2 SER A 50 0.911 2.917 12.942 1.00 42.13 H new ATOM 0 HB3 SER A 50 0.194 4.501 13.162 1.00 42.13 H new ATOM 0 HG SER A 50 0.287 4.874 11.050 1.00 2.32 H new ATOM 767 N LYS A 51 3.773 2.519 13.152 1.00 3.12 N ATOM 768 CA LYS A 51 4.796 1.593 12.640 1.00 15.23 C ATOM 769 C LYS A 51 4.384 1.016 11.285 1.00 25.44 C ATOM 770 O LYS A 51 5.179 0.971 10.343 1.00 10.33 O ATOM 771 CB LYS A 51 5.033 0.433 13.619 1.00 41.12 C ATOM 772 CG LYS A 51 5.748 0.824 14.906 1.00 1.45 C ATOM 773 CD LYS A 51 6.032 -0.397 15.778 1.00 73.41 C ATOM 774 CE LYS A 51 6.880 -1.436 15.045 1.00 4.24 C ATOM 775 NZ LYS A 51 7.053 -2.681 15.840 1.00 32.23 N ATOM 0 H LYS A 51 3.309 2.203 14.004 1.00 3.12 H new ATOM 0 HA LYS A 51 5.717 2.165 12.527 1.00 15.23 H new ATOM 0 HB2 LYS A 51 4.071 -0.012 13.874 1.00 41.12 H new ATOM 0 HB3 LYS A 51 5.616 -0.337 13.115 1.00 41.12 H new ATOM 0 HG2 LYS A 51 6.685 1.327 14.665 1.00 1.45 H new ATOM 0 HG3 LYS A 51 5.137 1.536 15.462 1.00 1.45 H new ATOM 0 HD2 LYS A 51 6.547 -0.083 16.686 1.00 73.41 H new ATOM 0 HD3 LYS A 51 5.090 -0.850 16.087 1.00 73.41 H new ATOM 0 HE2 LYS A 51 6.411 -1.678 14.091 1.00 4.24 H new ATOM 0 HE3 LYS A 51 7.858 -1.011 14.820 1.00 4.24 H new ATOM 0 HZ1 LYS A 51 7.634 -3.357 15.304 1.00 32.23 H new ATOM 0 HZ2 LYS A 51 7.524 -2.456 16.739 1.00 32.23 H new ATOM 0 HZ3 LYS A 51 6.122 -3.102 16.033 1.00 32.23 H new ATOM 789 N LEU A 52 3.134 0.577 11.200 1.00 40.41 N ATOM 790 CA LEU A 52 2.611 -0.047 9.987 1.00 50.03 C ATOM 791 C LEU A 52 2.565 0.951 8.823 1.00 5.11 C ATOM 792 O LEU A 52 1.919 1.997 8.913 1.00 54.10 O ATOM 793 CB LEU A 52 1.212 -0.622 10.261 1.00 65.32 C ATOM 794 CG LEU A 52 0.579 -1.434 9.109 1.00 51.31 C ATOM 795 CD1 LEU A 52 -0.412 -2.443 9.661 1.00 51.32 C ATOM 796 CD2 LEU A 52 -0.118 -0.526 8.091 1.00 10.01 C ATOM 0 H LEU A 52 2.458 0.642 11.961 1.00 40.41 H new ATOM 0 HA LEU A 52 3.281 -0.857 9.699 1.00 50.03 H new ATOM 0 HB2 LEU A 52 1.269 -1.262 11.142 1.00 65.32 H new ATOM 0 HB3 LEU A 52 0.544 0.203 10.509 1.00 65.32 H new ATOM 0 HG LEU A 52 1.385 -1.958 8.595 1.00 51.31 H new ATOM 0 HD11 LEU A 52 -0.851 -3.009 8.839 1.00 51.32 H new ATOM 0 HD12 LEU A 52 0.102 -3.126 10.337 1.00 51.32 H new ATOM 0 HD13 LEU A 52 -1.200 -1.920 10.203 1.00 51.32 H new ATOM 0 HD21 LEU A 52 -0.550 -1.135 7.297 1.00 10.01 H new ATOM 0 HD22 LEU A 52 -0.908 0.038 8.587 1.00 10.01 H new ATOM 0 HD23 LEU A 52 0.608 0.166 7.664 1.00 10.01 H new ATOM 808 N PRO A 53 3.242 0.640 7.705 1.00 34.23 N ATOM 809 CA PRO A 53 3.237 1.506 6.535 1.00 13.12 C ATOM 810 C PRO A 53 2.052 1.213 5.599 1.00 24.31 C ATOM 811 O PRO A 53 2.116 0.329 4.739 1.00 13.12 O ATOM 812 CB PRO A 53 4.579 1.176 5.869 1.00 32.25 C ATOM 813 CG PRO A 53 4.907 -0.232 6.284 1.00 11.23 C ATOM 814 CD PRO A 53 4.054 -0.568 7.494 1.00 61.22 C ATOM 0 HA PRO A 53 3.123 2.560 6.787 1.00 13.12 H new ATOM 0 HB2 PRO A 53 4.508 1.257 4.784 1.00 32.25 H new ATOM 0 HB3 PRO A 53 5.356 1.870 6.190 1.00 32.25 H new ATOM 0 HG2 PRO A 53 4.706 -0.927 5.469 1.00 11.23 H new ATOM 0 HG3 PRO A 53 5.966 -0.322 6.526 1.00 11.23 H new ATOM 0 HD2 PRO A 53 3.429 -1.442 7.311 1.00 61.22 H new ATOM 0 HD3 PRO A 53 4.669 -0.793 8.366 1.00 61.22 H new ATOM 822 N TRP A 54 0.975 1.977 5.768 1.00 13.02 N ATOM 823 CA TRP A 54 -0.240 1.817 4.955 1.00 12.43 C ATOM 824 C TRP A 54 -0.020 2.288 3.513 1.00 63.10 C ATOM 825 O TRP A 54 -0.630 1.774 2.579 1.00 42.24 O ATOM 826 CB TRP A 54 -1.413 2.578 5.599 1.00 21.55 C ATOM 827 CG TRP A 54 -1.050 3.956 6.085 1.00 25.21 C ATOM 828 CD1 TRP A 54 -0.600 4.289 7.331 1.00 13.14 C ATOM 829 CD2 TRP A 54 -1.106 5.180 5.340 1.00 23.43 C ATOM 830 NE1 TRP A 54 -0.363 5.637 7.402 1.00 22.10 N ATOM 831 CE2 TRP A 54 -0.668 6.208 6.196 1.00 4.25 C ATOM 832 CE3 TRP A 54 -1.480 5.506 4.033 1.00 3.24 C ATOM 833 CZ2 TRP A 54 -0.595 7.538 5.787 1.00 71.43 C ATOM 834 CZ3 TRP A 54 -1.406 6.825 3.629 1.00 3.23 C ATOM 835 CH2 TRP A 54 -0.967 7.828 4.504 1.00 13.52 C ATOM 0 H TRP A 54 0.914 2.720 6.465 1.00 13.02 H new ATOM 0 HA TRP A 54 -0.482 0.755 4.920 1.00 12.43 H new ATOM 0 HB2 TRP A 54 -2.222 2.660 4.874 1.00 21.55 H new ATOM 0 HB3 TRP A 54 -1.795 1.996 6.438 1.00 21.55 H new ATOM 0 HD1 TRP A 54 -0.452 3.591 8.142 1.00 13.14 H new ATOM 0 HE1 TRP A 54 -0.015 6.135 8.222 1.00 22.10 H new ATOM 0 HE3 TRP A 54 -1.821 4.741 3.351 1.00 3.24 H new ATOM 0 HZ2 TRP A 54 -0.257 8.312 6.460 1.00 71.43 H new ATOM 0 HZ3 TRP A 54 -1.691 7.088 2.621 1.00 3.23 H new ATOM 0 HH2 TRP A 54 -0.922 8.850 4.158 1.00 13.52 H new ATOM 846 N PHE A 55 0.883 3.252 3.343 1.00 0.32 N ATOM 847 CA PHE A 55 1.188 3.821 2.023 1.00 14.42 C ATOM 848 C PHE A 55 1.765 2.783 1.038 1.00 1.01 C ATOM 849 O PHE A 55 1.877 3.061 -0.155 1.00 24.22 O ATOM 850 CB PHE A 55 2.151 5.012 2.177 1.00 15.35 C ATOM 851 CG PHE A 55 3.371 4.730 3.025 1.00 3.31 C ATOM 852 CD1 PHE A 55 4.505 4.151 2.472 1.00 5.53 C ATOM 853 CD2 PHE A 55 3.387 5.062 4.373 1.00 41.44 C ATOM 854 CE1 PHE A 55 5.625 3.909 3.245 1.00 41.30 C ATOM 855 CE2 PHE A 55 4.504 4.820 5.150 1.00 4.21 C ATOM 856 CZ PHE A 55 5.625 4.245 4.584 1.00 50.53 C ATOM 0 H PHE A 55 1.422 3.661 4.106 1.00 0.32 H new ATOM 0 HA PHE A 55 0.245 4.162 1.595 1.00 14.42 H new ATOM 0 HB2 PHE A 55 2.478 5.328 1.187 1.00 15.35 H new ATOM 0 HB3 PHE A 55 1.606 5.849 2.615 1.00 15.35 H new ATOM 0 HD1 PHE A 55 4.512 3.886 1.425 1.00 5.53 H new ATOM 0 HD2 PHE A 55 2.515 5.515 4.820 1.00 41.44 H new ATOM 0 HE1 PHE A 55 6.500 3.457 2.802 1.00 41.30 H new ATOM 0 HE2 PHE A 55 4.500 5.080 6.198 1.00 4.21 H new ATOM 0 HZ PHE A 55 6.501 4.058 5.188 1.00 50.53 H new ATOM 866 N ARG A 56 2.127 1.597 1.532 1.00 43.22 N ATOM 867 CA ARG A 56 2.668 0.541 0.663 1.00 60.24 C ATOM 868 C ARG A 56 1.558 -0.204 -0.101 1.00 3.12 C ATOM 869 O ARG A 56 1.780 -0.685 -1.208 1.00 53.44 O ATOM 870 CB ARG A 56 3.482 -0.486 1.465 1.00 2.23 C ATOM 871 CG ARG A 56 4.689 0.085 2.206 1.00 54.13 C ATOM 872 CD ARG A 56 5.639 -1.028 2.654 1.00 53.43 C ATOM 873 NE ARG A 56 6.707 -0.548 3.528 1.00 53.52 N ATOM 874 CZ ARG A 56 7.658 0.271 3.167 1.00 21.23 C ATOM 875 NH1 ARG A 56 7.757 0.687 1.943 1.00 24.22 N ATOM 876 NH2 ARG A 56 8.541 0.639 4.032 1.00 55.15 N ATOM 0 H ARG A 56 2.058 1.342 2.517 1.00 43.22 H new ATOM 0 HA ARG A 56 3.317 1.045 -0.053 1.00 60.24 H new ATOM 0 HB2 ARG A 56 2.823 -0.964 2.189 1.00 2.23 H new ATOM 0 HB3 ARG A 56 3.827 -1.265 0.785 1.00 2.23 H new ATOM 0 HG2 ARG A 56 5.221 0.782 1.558 1.00 54.13 H new ATOM 0 HG3 ARG A 56 4.352 0.651 3.075 1.00 54.13 H new ATOM 0 HD2 ARG A 56 5.069 -1.797 3.175 1.00 53.43 H new ATOM 0 HD3 ARG A 56 6.080 -1.498 1.775 1.00 53.43 H new ATOM 0 HE ARG A 56 6.710 -0.878 4.493 1.00 53.52 H new ATOM 0 HH11 ARG A 56 7.085 0.375 1.242 1.00 24.22 H new ATOM 0 HH12 ARG A 56 8.507 1.327 1.681 1.00 24.22 H new ATOM 0 HH21 ARG A 56 8.493 0.291 4.989 1.00 55.15 H new ATOM 0 HH22 ARG A 56 9.287 1.278 3.759 1.00 55.15 H new ATOM 890 N VAL A 57 0.372 -0.310 0.496 1.00 2.22 N ATOM 891 CA VAL A 57 -0.711 -1.114 -0.087 1.00 43.25 C ATOM 892 C VAL A 57 -1.635 -0.266 -0.982 1.00 2.45 C ATOM 893 O VAL A 57 -2.472 0.501 -0.497 1.00 44.40 O ATOM 894 CB VAL A 57 -1.543 -1.810 1.018 1.00 52.50 C ATOM 895 CG1 VAL A 57 -2.584 -2.746 0.407 1.00 62.41 C ATOM 896 CG2 VAL A 57 -0.628 -2.565 1.984 1.00 14.54 C ATOM 0 H VAL A 57 0.133 0.146 1.377 1.00 2.22 H new ATOM 0 HA VAL A 57 -0.241 -1.876 -0.709 1.00 43.25 H new ATOM 0 HB VAL A 57 -2.073 -1.042 1.582 1.00 52.50 H new ATOM 0 HG11 VAL A 57 -3.156 -3.223 1.203 1.00 62.41 H new ATOM 0 HG12 VAL A 57 -3.258 -2.174 -0.231 1.00 62.41 H new ATOM 0 HG13 VAL A 57 -2.082 -3.510 -0.187 1.00 62.41 H new ATOM 0 HG21 VAL A 57 -1.230 -3.048 2.754 1.00 14.54 H new ATOM 0 HG22 VAL A 57 -0.065 -3.321 1.436 1.00 14.54 H new ATOM 0 HG23 VAL A 57 0.065 -1.865 2.451 1.00 14.54 H new ATOM 906 N ILE A 58 -1.471 -0.417 -2.295 1.00 72.52 N ATOM 907 CA ILE A 58 -2.222 0.371 -3.279 1.00 71.22 C ATOM 908 C ILE A 58 -3.048 -0.520 -4.229 1.00 61.14 C ATOM 909 O ILE A 58 -3.129 -1.739 -4.055 1.00 31.22 O ATOM 910 CB ILE A 58 -1.260 1.255 -4.113 1.00 41.12 C ATOM 911 CG1 ILE A 58 -0.207 0.382 -4.824 1.00 21.13 C ATOM 912 CG2 ILE A 58 -0.589 2.303 -3.223 1.00 11.45 C ATOM 913 CD1 ILE A 58 0.791 1.171 -5.649 1.00 53.41 C ATOM 0 H ILE A 58 -0.819 -1.084 -2.708 1.00 72.52 H new ATOM 0 HA ILE A 58 -2.913 1.001 -2.719 1.00 71.22 H new ATOM 0 HB ILE A 58 -1.839 1.777 -4.874 1.00 41.12 H new ATOM 0 HG12 ILE A 58 0.333 -0.199 -4.077 1.00 21.13 H new ATOM 0 HG13 ILE A 58 -0.718 -0.330 -5.473 1.00 21.13 H new ATOM 0 HG21 ILE A 58 0.083 2.915 -3.825 1.00 11.45 H new ATOM 0 HG22 ILE A 58 -1.351 2.938 -2.771 1.00 11.45 H new ATOM 0 HG23 ILE A 58 -0.020 1.804 -2.438 1.00 11.45 H new ATOM 0 HD11 ILE A 58 1.498 0.486 -6.117 1.00 53.41 H new ATOM 0 HD12 ILE A 58 0.263 1.731 -6.421 1.00 53.41 H new ATOM 0 HD13 ILE A 58 1.330 1.864 -5.003 1.00 53.41 H new ATOM 925 N ASN A 59 -3.677 0.100 -5.229 1.00 5.04 N ATOM 926 CA ASN A 59 -4.482 -0.633 -6.219 1.00 3.44 C ATOM 927 C ASN A 59 -3.599 -1.351 -7.259 1.00 13.04 C ATOM 928 O ASN A 59 -2.452 -0.972 -7.483 1.00 11.41 O ATOM 929 CB ASN A 59 -5.452 0.327 -6.919 1.00 33.11 C ATOM 930 CG ASN A 59 -4.749 1.538 -7.504 1.00 74.41 C ATOM 931 OD1 ASN A 59 -4.571 2.543 -6.837 1.00 21.34 O ATOM 932 ND2 ASN A 59 -4.348 1.453 -8.755 1.00 14.20 N ATOM 0 H ASN A 59 -3.647 1.109 -5.378 1.00 5.04 H new ATOM 0 HA ASN A 59 -5.048 -1.398 -5.687 1.00 3.44 H new ATOM 0 HB2 ASN A 59 -5.975 -0.205 -7.714 1.00 33.11 H new ATOM 0 HB3 ASN A 59 -6.208 0.658 -6.207 1.00 33.11 H new ATOM 0 HD21 ASN A 59 -3.873 2.242 -9.193 1.00 14.20 H new ATOM 0 HD22 ASN A 59 -4.512 0.598 -9.286 1.00 14.20 H new ATOM 939 N SER A 60 -4.158 -2.380 -7.907 1.00 12.12 N ATOM 940 CA SER A 60 -3.420 -3.188 -8.902 1.00 21.23 C ATOM 941 C SER A 60 -2.851 -2.338 -10.055 1.00 4.40 C ATOM 942 O SER A 60 -1.804 -2.660 -10.615 1.00 4.43 O ATOM 943 CB SER A 60 -4.329 -4.285 -9.472 1.00 23.41 C ATOM 944 OG SER A 60 -4.804 -5.148 -8.448 1.00 23.04 O ATOM 0 H SER A 60 -5.123 -2.679 -7.763 1.00 12.12 H new ATOM 0 HA SER A 60 -2.575 -3.636 -8.379 1.00 21.23 H new ATOM 0 HB2 SER A 60 -5.175 -3.828 -9.986 1.00 23.41 H new ATOM 0 HB3 SER A 60 -3.780 -4.865 -10.214 1.00 23.41 H new ATOM 0 HG SER A 60 -5.382 -5.835 -8.841 1.00 23.04 H new ATOM 950 N GLN A 61 -3.553 -1.264 -10.422 1.00 0.42 N ATOM 951 CA GLN A 61 -3.066 -0.338 -11.464 1.00 70.21 C ATOM 952 C GLN A 61 -1.819 0.445 -11.003 1.00 22.45 C ATOM 953 O GLN A 61 -1.171 1.128 -11.797 1.00 51.15 O ATOM 954 CB GLN A 61 -4.177 0.648 -11.862 1.00 3.23 C ATOM 955 CG GLN A 61 -5.409 -0.012 -12.480 1.00 31.03 C ATOM 956 CD GLN A 61 -6.500 0.991 -12.828 1.00 31.24 C ATOM 957 OE1 GLN A 61 -6.230 2.149 -13.127 1.00 10.24 O ATOM 958 NE2 GLN A 61 -7.741 0.553 -12.798 1.00 34.23 N ATOM 0 H GLN A 61 -4.455 -1.009 -10.020 1.00 0.42 H new ATOM 0 HA GLN A 61 -2.784 -0.941 -12.327 1.00 70.21 H new ATOM 0 HB2 GLN A 61 -4.484 1.208 -10.979 1.00 3.23 H new ATOM 0 HB3 GLN A 61 -3.771 1.369 -12.571 1.00 3.23 H new ATOM 0 HG2 GLN A 61 -5.115 -0.550 -13.381 1.00 31.03 H new ATOM 0 HG3 GLN A 61 -5.808 -0.750 -11.784 1.00 31.03 H new ATOM 0 HE21 GLN A 61 -7.934 -0.416 -12.545 1.00 34.23 H new ATOM 0 HE22 GLN A 61 -8.510 1.183 -13.027 1.00 34.23 H new ATOM 967 N GLY A 62 -1.489 0.341 -9.716 1.00 51.10 N ATOM 968 CA GLY A 62 -0.346 1.059 -9.168 1.00 13.13 C ATOM 969 C GLY A 62 -0.585 2.560 -9.044 1.00 34.45 C ATOM 970 O GLY A 62 -0.069 3.344 -9.843 1.00 22.14 O ATOM 0 H GLY A 62 -1.995 -0.230 -9.040 1.00 51.10 H new ATOM 0 HA2 GLY A 62 -0.107 0.653 -8.185 1.00 13.13 H new ATOM 0 HA3 GLY A 62 0.522 0.887 -9.804 1.00 13.13 H new ATOM 974 N LYS A 63 -1.376 2.962 -8.054 1.00 72.20 N ATOM 975 CA LYS A 63 -1.676 4.381 -7.832 1.00 0.32 C ATOM 976 C LYS A 63 -1.966 4.671 -6.347 1.00 75.54 C ATOM 977 O LYS A 63 -2.341 3.775 -5.590 1.00 43.42 O ATOM 978 CB LYS A 63 -2.870 4.809 -8.706 1.00 21.45 C ATOM 979 CG LYS A 63 -3.181 6.301 -8.630 1.00 41.43 C ATOM 980 CD LYS A 63 -4.322 6.696 -9.558 1.00 1.13 C ATOM 981 CE LYS A 63 -4.586 8.197 -9.508 1.00 1.11 C ATOM 982 NZ LYS A 63 -5.700 8.597 -10.404 1.00 3.11 N ATOM 0 H LYS A 63 -1.823 2.329 -7.391 1.00 72.20 H new ATOM 0 HA LYS A 63 -0.798 4.961 -8.116 1.00 0.32 H new ATOM 0 HB2 LYS A 63 -2.665 4.542 -9.743 1.00 21.45 H new ATOM 0 HB3 LYS A 63 -3.753 4.247 -8.401 1.00 21.45 H new ATOM 0 HG2 LYS A 63 -3.440 6.565 -7.605 1.00 41.43 H new ATOM 0 HG3 LYS A 63 -2.289 6.871 -8.890 1.00 41.43 H new ATOM 0 HD2 LYS A 63 -4.081 6.401 -10.579 1.00 1.13 H new ATOM 0 HD3 LYS A 63 -5.226 6.156 -9.276 1.00 1.13 H new ATOM 0 HE2 LYS A 63 -4.821 8.490 -8.485 1.00 1.11 H new ATOM 0 HE3 LYS A 63 -3.681 8.734 -9.793 1.00 1.11 H new ATOM 0 HZ1 LYS A 63 -5.846 9.625 -10.339 1.00 3.11 H new ATOM 0 HZ2 LYS A 63 -5.466 8.342 -11.385 1.00 3.11 H new ATOM 0 HZ3 LYS A 63 -6.570 8.105 -10.117 1.00 3.11 H new ATOM 996 N ILE A 64 -1.778 5.924 -5.942 1.00 3.44 N ATOM 997 CA ILE A 64 -2.092 6.367 -4.580 1.00 1.42 C ATOM 998 C ILE A 64 -3.590 6.197 -4.270 1.00 62.40 C ATOM 999 O ILE A 64 -4.452 6.617 -5.047 1.00 2.23 O ATOM 1000 CB ILE A 64 -1.673 7.850 -4.376 1.00 21.24 C ATOM 1001 CG1 ILE A 64 -0.139 7.978 -4.418 1.00 44.23 C ATOM 1002 CG2 ILE A 64 -2.231 8.419 -3.071 1.00 41.33 C ATOM 1003 CD1 ILE A 64 0.370 9.388 -4.195 1.00 34.00 C ATOM 0 H ILE A 64 -1.406 6.660 -6.542 1.00 3.44 H new ATOM 0 HA ILE A 64 -1.526 5.741 -3.890 1.00 1.42 H new ATOM 0 HB ILE A 64 -2.098 8.435 -5.192 1.00 21.24 H new ATOM 0 HG12 ILE A 64 0.290 7.324 -3.659 1.00 44.23 H new ATOM 0 HG13 ILE A 64 0.218 7.623 -5.385 1.00 44.23 H new ATOM 0 HG21 ILE A 64 -1.917 9.457 -2.963 1.00 41.33 H new ATOM 0 HG22 ILE A 64 -3.320 8.369 -3.088 1.00 41.33 H new ATOM 0 HG23 ILE A 64 -1.854 7.837 -2.230 1.00 41.33 H new ATOM 0 HD11 ILE A 64 1.459 9.393 -4.240 1.00 34.00 H new ATOM 0 HD12 ILE A 64 -0.028 10.045 -4.968 1.00 34.00 H new ATOM 0 HD13 ILE A 64 0.045 9.741 -3.216 1.00 34.00 H new ATOM 1015 N SER A 65 -3.891 5.571 -3.132 1.00 33.04 N ATOM 1016 CA SER A 65 -5.281 5.315 -2.727 1.00 31.00 C ATOM 1017 C SER A 65 -5.983 6.608 -2.303 1.00 52.01 C ATOM 1018 O SER A 65 -7.133 6.862 -2.675 1.00 1.10 O ATOM 1019 CB SER A 65 -5.323 4.305 -1.574 1.00 12.01 C ATOM 1020 OG SER A 65 -6.656 4.009 -1.192 1.00 23.40 O ATOM 0 H SER A 65 -3.193 5.230 -2.471 1.00 33.04 H new ATOM 0 HA SER A 65 -5.807 4.903 -3.589 1.00 31.00 H new ATOM 0 HB2 SER A 65 -4.817 3.387 -1.874 1.00 12.01 H new ATOM 0 HB3 SER A 65 -4.778 4.705 -0.719 1.00 12.01 H new ATOM 0 HG SER A 65 -6.712 3.077 -0.895 1.00 23.40 H new ATOM 1026 N LEU A 66 -5.282 7.425 -1.524 1.00 62.42 N ATOM 1027 CA LEU A 66 -5.814 8.710 -1.073 1.00 53.33 C ATOM 1028 C LEU A 66 -5.770 9.761 -2.195 1.00 12.23 C ATOM 1029 O LEU A 66 -5.123 9.567 -3.223 1.00 40.02 O ATOM 1030 CB LEU A 66 -5.027 9.203 0.148 1.00 73.43 C ATOM 1031 CG LEU A 66 -5.065 8.270 1.372 1.00 71.13 C ATOM 1032 CD1 LEU A 66 -4.224 8.833 2.516 1.00 54.04 C ATOM 1033 CD2 LEU A 66 -6.505 8.027 1.824 1.00 35.11 C ATOM 0 H LEU A 66 -4.340 7.221 -1.190 1.00 62.42 H new ATOM 0 HA LEU A 66 -6.858 8.565 -0.794 1.00 53.33 H new ATOM 0 HB2 LEU A 66 -3.987 9.350 -0.145 1.00 73.43 H new ATOM 0 HB3 LEU A 66 -5.416 10.178 0.442 1.00 73.43 H new ATOM 0 HG LEU A 66 -4.635 7.312 1.079 1.00 71.13 H new ATOM 0 HD11 LEU A 66 -4.268 8.155 3.368 1.00 54.04 H new ATOM 0 HD12 LEU A 66 -3.189 8.939 2.189 1.00 54.04 H new ATOM 0 HD13 LEU A 66 -4.613 9.808 2.808 1.00 54.04 H new ATOM 0 HD21 LEU A 66 -6.508 7.365 2.690 1.00 35.11 H new ATOM 0 HD22 LEU A 66 -6.967 8.977 2.092 1.00 35.11 H new ATOM 0 HD23 LEU A 66 -7.068 7.565 1.013 1.00 35.11 H new ATOM 1045 N LYS A 67 -6.464 10.875 -1.994 1.00 3.35 N ATOM 1046 CA LYS A 67 -6.500 11.951 -2.992 1.00 43.43 C ATOM 1047 C LYS A 67 -6.729 13.321 -2.339 1.00 12.25 C ATOM 1048 O LYS A 67 -6.899 13.420 -1.123 1.00 20.22 O ATOM 1049 CB LYS A 67 -7.567 11.661 -4.058 1.00 54.44 C ATOM 1050 CG LYS A 67 -8.910 11.207 -3.495 1.00 32.24 C ATOM 1051 CD LYS A 67 -9.901 10.859 -4.605 1.00 52.22 C ATOM 1052 CE LYS A 67 -9.332 9.836 -5.590 1.00 65.43 C ATOM 1053 NZ LYS A 67 -8.872 8.591 -4.915 1.00 22.02 N ATOM 0 H LYS A 67 -7.010 11.062 -1.153 1.00 3.35 H new ATOM 0 HA LYS A 67 -5.526 11.986 -3.481 1.00 43.43 H new ATOM 0 HB2 LYS A 67 -7.722 12.560 -4.654 1.00 54.44 H new ATOM 0 HB3 LYS A 67 -7.190 10.892 -4.732 1.00 54.44 H new ATOM 0 HG2 LYS A 67 -8.761 10.337 -2.855 1.00 32.24 H new ATOM 0 HG3 LYS A 67 -9.327 11.996 -2.869 1.00 32.24 H new ATOM 0 HD2 LYS A 67 -10.816 10.464 -4.162 1.00 52.22 H new ATOM 0 HD3 LYS A 67 -10.173 11.767 -5.144 1.00 52.22 H new ATOM 0 HE2 LYS A 67 -10.093 9.585 -6.329 1.00 65.43 H new ATOM 0 HE3 LYS A 67 -8.497 10.282 -6.131 1.00 65.43 H new ATOM 0 HZ1 LYS A 67 -8.622 7.880 -5.631 1.00 22.02 H new ATOM 0 HZ2 LYS A 67 -8.038 8.801 -4.330 1.00 22.02 H new ATOM 0 HZ3 LYS A 67 -9.634 8.222 -4.311 1.00 22.02 H new ATOM 1067 N GLY A 68 -6.721 14.375 -3.151 1.00 73.53 N ATOM 1068 CA GLY A 68 -6.805 15.732 -2.620 1.00 54.31 C ATOM 1069 C GLY A 68 -5.507 16.158 -1.936 1.00 73.33 C ATOM 1070 O GLY A 68 -4.436 16.098 -2.540 1.00 1.02 O ATOM 0 H GLY A 68 -6.658 14.317 -4.167 1.00 73.53 H new ATOM 0 HA2 GLY A 68 -7.033 16.425 -3.430 1.00 54.31 H new ATOM 0 HA3 GLY A 68 -7.628 15.793 -1.907 1.00 54.31 H new ATOM 1074 N ARG A 69 -5.596 16.587 -0.682 1.00 24.51 N ATOM 1075 CA ARG A 69 -4.406 16.916 0.111 1.00 71.53 C ATOM 1076 C ARG A 69 -3.667 15.636 0.536 1.00 53.12 C ATOM 1077 O ARG A 69 -2.435 15.579 0.534 1.00 21.21 O ATOM 1078 CB ARG A 69 -4.815 17.720 1.354 1.00 50.20 C ATOM 1079 CG ARG A 69 -3.655 18.126 2.264 1.00 32.20 C ATOM 1080 CD ARG A 69 -2.815 19.262 1.687 1.00 20.14 C ATOM 1081 NE ARG A 69 -1.943 18.844 0.589 1.00 41.24 N ATOM 1082 CZ ARG A 69 -0.769 19.364 0.356 1.00 72.51 C ATOM 1083 NH1 ARG A 69 -0.288 20.291 1.124 1.00 34.32 N ATOM 1084 NH2 ARG A 69 -0.077 18.959 -0.652 1.00 54.44 N ATOM 0 H ARG A 69 -6.479 16.717 -0.188 1.00 24.51 H new ATOM 0 HA ARG A 69 -3.734 17.516 -0.503 1.00 71.53 H new ATOM 0 HB2 ARG A 69 -5.338 18.620 1.031 1.00 50.20 H new ATOM 0 HB3 ARG A 69 -5.524 17.130 1.934 1.00 50.20 H new ATOM 0 HG2 ARG A 69 -4.050 18.430 3.234 1.00 32.20 H new ATOM 0 HG3 ARG A 69 -3.016 17.260 2.437 1.00 32.20 H new ATOM 0 HD2 ARG A 69 -3.479 20.051 1.333 1.00 20.14 H new ATOM 0 HD3 ARG A 69 -2.205 19.692 2.481 1.00 20.14 H new ATOM 0 HE ARG A 69 -2.272 18.103 -0.030 1.00 41.24 H new ATOM 0 HH11 ARG A 69 -0.829 20.623 1.923 1.00 34.32 H new ATOM 0 HH12 ARG A 69 0.631 20.688 0.930 1.00 34.32 H new ATOM 0 HH21 ARG A 69 -0.447 18.233 -1.266 1.00 54.44 H new ATOM 0 HH22 ARG A 69 0.841 19.364 -0.836 1.00 54.44 H new ATOM 1098 N ASP A 70 -4.441 14.609 0.880 1.00 61.21 N ATOM 1099 CA ASP A 70 -3.895 13.322 1.326 1.00 61.51 C ATOM 1100 C ASP A 70 -3.114 12.593 0.217 1.00 62.31 C ATOM 1101 O ASP A 70 -2.354 11.662 0.496 1.00 61.13 O ATOM 1102 CB ASP A 70 -5.024 12.439 1.860 1.00 35.22 C ATOM 1103 CG ASP A 70 -5.546 12.934 3.196 1.00 23.40 C ATOM 1104 OD1 ASP A 70 -6.287 13.941 3.220 1.00 31.24 O ATOM 1105 OD2 ASP A 70 -5.195 12.333 4.232 1.00 61.43 O ATOM 0 H ASP A 70 -5.460 14.641 0.859 1.00 61.21 H new ATOM 0 HA ASP A 70 -3.182 13.527 2.124 1.00 61.51 H new ATOM 0 HB2 ASP A 70 -5.840 12.416 1.137 1.00 35.22 H new ATOM 0 HB3 ASP A 70 -4.665 11.416 1.967 1.00 35.22 H new ATOM 1110 N LEU A 71 -3.301 13.016 -1.033 1.00 72.34 N ATOM 1111 CA LEU A 71 -2.527 12.468 -2.152 1.00 62.42 C ATOM 1112 C LEU A 71 -1.036 12.755 -1.950 1.00 70.25 C ATOM 1113 O LEU A 71 -0.205 11.842 -1.949 1.00 15.24 O ATOM 1114 CB LEU A 71 -3.020 13.061 -3.487 1.00 10.11 C ATOM 1115 CG LEU A 71 -2.480 12.385 -4.772 1.00 50.15 C ATOM 1116 CD1 LEU A 71 -3.435 12.607 -5.942 1.00 3.24 C ATOM 1117 CD2 LEU A 71 -1.085 12.903 -5.134 1.00 13.41 C ATOM 0 H LEU A 71 -3.977 13.732 -1.298 1.00 72.34 H new ATOM 0 HA LEU A 71 -2.671 11.388 -2.185 1.00 62.42 H new ATOM 0 HB2 LEU A 71 -4.109 13.010 -3.504 1.00 10.11 H new ATOM 0 HB3 LEU A 71 -2.749 14.117 -3.515 1.00 10.11 H new ATOM 0 HG LEU A 71 -2.406 11.316 -4.571 1.00 50.15 H new ATOM 0 HD11 LEU A 71 -3.036 12.124 -6.834 1.00 3.24 H new ATOM 0 HD12 LEU A 71 -4.409 12.180 -5.703 1.00 3.24 H new ATOM 0 HD13 LEU A 71 -3.543 13.676 -6.126 1.00 3.24 H new ATOM 0 HD21 LEU A 71 -0.737 12.408 -6.040 1.00 13.41 H new ATOM 0 HD22 LEU A 71 -1.129 13.979 -5.303 1.00 13.41 H new ATOM 0 HD23 LEU A 71 -0.395 12.692 -4.317 1.00 13.41 H new ATOM 1129 N ASP A 72 -0.706 14.031 -1.762 1.00 24.50 N ATOM 1130 CA ASP A 72 0.674 14.441 -1.505 1.00 1.10 C ATOM 1131 C ASP A 72 1.170 13.867 -0.171 1.00 33.22 C ATOM 1132 O ASP A 72 2.336 13.529 -0.029 1.00 13.13 O ATOM 1133 CB ASP A 72 0.786 15.965 -1.494 1.00 5.12 C ATOM 1134 CG ASP A 72 0.074 16.595 -2.674 1.00 3.44 C ATOM 1135 OD1 ASP A 72 0.643 16.622 -3.784 1.00 43.15 O ATOM 1136 OD2 ASP A 72 -1.067 17.070 -2.491 1.00 41.50 O ATOM 0 H ASP A 72 -1.376 14.800 -1.783 1.00 24.50 H new ATOM 0 HA ASP A 72 1.300 14.049 -2.307 1.00 1.10 H new ATOM 0 HB2 ASP A 72 0.364 16.353 -0.567 1.00 5.12 H new ATOM 0 HB3 ASP A 72 1.838 16.251 -1.510 1.00 5.12 H new ATOM 1141 N ARG A 73 0.266 13.769 0.802 1.00 24.22 N ATOM 1142 CA ARG A 73 0.560 13.127 2.092 1.00 55.40 C ATOM 1143 C ARG A 73 1.160 11.718 1.897 1.00 53.13 C ATOM 1144 O ARG A 73 2.294 11.444 2.323 1.00 41.14 O ATOM 1145 CB ARG A 73 -0.733 13.045 2.915 1.00 62.44 C ATOM 1146 CG ARG A 73 -0.618 12.294 4.240 1.00 41.13 C ATOM 1147 CD ARG A 73 -1.972 12.200 4.941 1.00 4.25 C ATOM 1148 NE ARG A 73 -1.924 11.361 6.137 1.00 4.31 N ATOM 1149 CZ ARG A 73 -2.883 10.553 6.506 1.00 13.13 C ATOM 1150 NH1 ARG A 73 -3.992 10.493 5.841 1.00 75.44 N ATOM 1151 NH2 ARG A 73 -2.748 9.827 7.568 1.00 34.44 N ATOM 0 H ARG A 73 -0.686 14.128 0.725 1.00 24.22 H new ATOM 0 HA ARG A 73 1.300 13.727 2.621 1.00 55.40 H new ATOM 0 HB2 ARG A 73 -1.079 14.058 3.120 1.00 62.44 H new ATOM 0 HB3 ARG A 73 -1.500 12.563 2.309 1.00 62.44 H new ATOM 0 HG2 ARG A 73 -0.228 11.292 4.060 1.00 41.13 H new ATOM 0 HG3 ARG A 73 0.096 12.802 4.888 1.00 41.13 H new ATOM 0 HD2 ARG A 73 -2.306 13.201 5.216 1.00 4.25 H new ATOM 0 HD3 ARG A 73 -2.710 11.797 4.247 1.00 4.25 H new ATOM 0 HE ARG A 73 -1.089 11.409 6.721 1.00 4.31 H new ATOM 0 HH11 ARG A 73 -4.126 11.081 5.018 1.00 75.44 H new ATOM 0 HH12 ARG A 73 -4.732 9.858 6.140 1.00 75.44 H new ATOM 0 HH21 ARG A 73 -1.892 9.884 8.119 1.00 34.44 H new ATOM 0 HH22 ARG A 73 -3.498 9.197 7.854 1.00 34.44 H new ATOM 1165 N GLN A 74 0.407 10.830 1.244 1.00 12.43 N ATOM 1166 CA GLN A 74 0.895 9.476 0.965 1.00 62.02 C ATOM 1167 C GLN A 74 2.139 9.523 0.068 1.00 51.34 C ATOM 1168 O GLN A 74 3.101 8.781 0.280 1.00 30.41 O ATOM 1169 CB GLN A 74 -0.198 8.619 0.304 1.00 20.35 C ATOM 1170 CG GLN A 74 0.207 7.156 0.125 1.00 2.43 C ATOM 1171 CD GLN A 74 -0.855 6.298 -0.546 1.00 32.13 C ATOM 1172 OE1 GLN A 74 -2.049 6.560 -0.447 1.00 11.13 O ATOM 1173 NE2 GLN A 74 -0.423 5.251 -1.224 1.00 11.24 N ATOM 0 H GLN A 74 -0.534 11.021 0.901 1.00 12.43 H new ATOM 0 HA GLN A 74 1.164 9.017 1.917 1.00 62.02 H new ATOM 0 HB2 GLN A 74 -1.103 8.667 0.909 1.00 20.35 H new ATOM 0 HB3 GLN A 74 -0.443 9.043 -0.670 1.00 20.35 H new ATOM 0 HG2 GLN A 74 1.122 7.113 -0.466 1.00 2.43 H new ATOM 0 HG3 GLN A 74 0.439 6.732 1.102 1.00 2.43 H new ATOM 0 HE21 GLN A 74 0.577 5.061 -1.287 1.00 11.24 H new ATOM 0 HE22 GLN A 74 -1.089 4.632 -1.685 1.00 11.24 H new ATOM 1182 N LYS A 75 2.118 10.415 -0.924 1.00 72.41 N ATOM 1183 CA LYS A 75 3.245 10.580 -1.847 1.00 71.03 C ATOM 1184 C LYS A 75 4.544 10.919 -1.100 1.00 15.31 C ATOM 1185 O LYS A 75 5.584 10.336 -1.373 1.00 21.30 O ATOM 1186 CB LYS A 75 2.935 11.674 -2.882 1.00 71.22 C ATOM 1187 CG LYS A 75 3.993 11.813 -3.974 1.00 60.20 C ATOM 1188 CD LYS A 75 3.639 12.913 -4.970 1.00 42.10 C ATOM 1189 CE LYS A 75 4.601 12.942 -6.155 1.00 3.25 C ATOM 1190 NZ LYS A 75 6.020 13.114 -5.736 1.00 0.22 N ATOM 0 H LYS A 75 1.331 11.036 -1.110 1.00 72.41 H new ATOM 0 HA LYS A 75 3.390 9.629 -2.360 1.00 71.03 H new ATOM 0 HB2 LYS A 75 1.973 11.458 -3.347 1.00 71.22 H new ATOM 0 HB3 LYS A 75 2.832 12.629 -2.367 1.00 71.22 H new ATOM 0 HG2 LYS A 75 4.959 12.032 -3.518 1.00 60.20 H new ATOM 0 HG3 LYS A 75 4.097 10.865 -4.502 1.00 60.20 H new ATOM 0 HD2 LYS A 75 2.622 12.761 -5.332 1.00 42.10 H new ATOM 0 HD3 LYS A 75 3.656 13.879 -4.465 1.00 42.10 H new ATOM 0 HE2 LYS A 75 4.503 12.016 -6.721 1.00 3.25 H new ATOM 0 HE3 LYS A 75 4.322 13.756 -6.825 1.00 3.25 H new ATOM 0 HZ1 LYS A 75 6.559 13.557 -6.508 1.00 0.22 H new ATOM 0 HZ2 LYS A 75 6.062 13.721 -4.892 1.00 0.22 H new ATOM 0 HZ3 LYS A 75 6.432 12.185 -5.515 1.00 0.22 H new ATOM 1204 N GLN A 76 4.473 11.855 -0.152 1.00 22.42 N ATOM 1205 CA GLN A 76 5.649 12.270 0.629 1.00 23.35 C ATOM 1206 C GLN A 76 6.232 11.096 1.426 1.00 55.43 C ATOM 1207 O GLN A 76 7.453 10.969 1.565 1.00 31.12 O ATOM 1208 CB GLN A 76 5.286 13.419 1.583 1.00 52.01 C ATOM 1209 CG GLN A 76 4.938 14.728 0.874 1.00 44.41 C ATOM 1210 CD GLN A 76 4.490 15.821 1.833 1.00 1.34 C ATOM 1211 OE1 GLN A 76 4.920 15.874 2.979 1.00 71.43 O ATOM 1212 NE2 GLN A 76 3.622 16.700 1.374 1.00 61.03 N ATOM 0 H GLN A 76 3.613 12.344 0.097 1.00 22.42 H new ATOM 0 HA GLN A 76 6.406 12.616 -0.075 1.00 23.35 H new ATOM 0 HB2 GLN A 76 4.439 13.114 2.197 1.00 52.01 H new ATOM 0 HB3 GLN A 76 6.123 13.595 2.259 1.00 52.01 H new ATOM 0 HG2 GLN A 76 5.808 15.075 0.316 1.00 44.41 H new ATOM 0 HG3 GLN A 76 4.147 14.542 0.148 1.00 44.41 H new ATOM 0 HE21 GLN A 76 3.283 16.629 0.415 1.00 61.03 H new ATOM 0 HE22 GLN A 76 3.289 17.452 1.978 1.00 61.03 H new ATOM 1221 N LYS A 77 5.354 10.246 1.956 1.00 51.02 N ATOM 1222 CA LYS A 77 5.788 9.025 2.642 1.00 43.42 C ATOM 1223 C LYS A 77 6.500 8.070 1.663 1.00 52.11 C ATOM 1224 O LYS A 77 7.538 7.490 1.979 1.00 45.43 O ATOM 1225 CB LYS A 77 4.584 8.324 3.288 1.00 41.41 C ATOM 1226 CG LYS A 77 3.790 9.185 4.286 1.00 34.10 C ATOM 1227 CD LYS A 77 4.496 9.356 5.640 1.00 64.12 C ATOM 1228 CE LYS A 77 5.660 10.344 5.589 1.00 3.03 C ATOM 1229 NZ LYS A 77 6.286 10.535 6.923 1.00 52.43 N ATOM 0 H LYS A 77 4.343 10.377 1.925 1.00 51.02 H new ATOM 0 HA LYS A 77 6.496 9.303 3.423 1.00 43.42 H new ATOM 0 HB2 LYS A 77 3.909 7.993 2.499 1.00 41.41 H new ATOM 0 HB3 LYS A 77 4.936 7.430 3.802 1.00 41.41 H new ATOM 0 HG2 LYS A 77 3.616 10.168 3.848 1.00 34.10 H new ATOM 0 HG3 LYS A 77 2.812 8.731 4.449 1.00 34.10 H new ATOM 0 HD2 LYS A 77 3.772 9.695 6.380 1.00 64.12 H new ATOM 0 HD3 LYS A 77 4.865 8.387 5.976 1.00 64.12 H new ATOM 0 HE2 LYS A 77 6.410 9.985 4.885 1.00 3.03 H new ATOM 0 HE3 LYS A 77 5.305 11.304 5.214 1.00 3.03 H new ATOM 0 HZ1 LYS A 77 7.071 11.212 6.844 1.00 52.43 H new ATOM 0 HZ2 LYS A 77 5.577 10.902 7.590 1.00 52.43 H new ATOM 0 HZ3 LYS A 77 6.648 9.624 7.270 1.00 52.43 H new ATOM 1243 N LEU A 78 5.936 7.931 0.463 1.00 70.52 N ATOM 1244 CA LEU A 78 6.538 7.113 -0.600 1.00 44.45 C ATOM 1245 C LEU A 78 7.880 7.705 -1.070 1.00 14.01 C ATOM 1246 O LEU A 78 8.844 6.978 -1.327 1.00 0.21 O ATOM 1247 CB LEU A 78 5.567 7.013 -1.784 1.00 71.34 C ATOM 1248 CG LEU A 78 4.212 6.358 -1.469 1.00 34.13 C ATOM 1249 CD1 LEU A 78 3.244 6.529 -2.634 1.00 73.12 C ATOM 1250 CD2 LEU A 78 4.393 4.881 -1.127 1.00 52.51 C ATOM 0 H LEU A 78 5.057 8.376 0.198 1.00 70.52 H new ATOM 0 HA LEU A 78 6.732 6.119 -0.198 1.00 44.45 H new ATOM 0 HB2 LEU A 78 5.386 8.016 -2.170 1.00 71.34 H new ATOM 0 HB3 LEU A 78 6.049 6.447 -2.581 1.00 71.34 H new ATOM 0 HG LEU A 78 3.786 6.859 -0.599 1.00 34.13 H new ATOM 0 HD11 LEU A 78 2.292 6.058 -2.388 1.00 73.12 H new ATOM 0 HD12 LEU A 78 3.085 7.591 -2.822 1.00 73.12 H new ATOM 0 HD13 LEU A 78 3.661 6.061 -3.526 1.00 73.12 H new ATOM 0 HD21 LEU A 78 3.422 4.437 -0.907 1.00 52.51 H new ATOM 0 HD22 LEU A 78 4.845 4.364 -1.973 1.00 52.51 H new ATOM 0 HD23 LEU A 78 5.041 4.786 -0.256 1.00 52.51 H new ATOM 1262 N GLU A 79 7.936 9.032 -1.173 1.00 2.34 N ATOM 1263 CA GLU A 79 9.167 9.737 -1.541 1.00 71.01 C ATOM 1264 C GLU A 79 10.281 9.455 -0.524 1.00 53.15 C ATOM 1265 O GLU A 79 11.455 9.356 -0.884 1.00 54.34 O ATOM 1266 CB GLU A 79 8.910 11.250 -1.630 1.00 40.25 C ATOM 1267 CG GLU A 79 7.926 11.661 -2.725 1.00 60.22 C ATOM 1268 CD GLU A 79 8.479 11.490 -4.132 1.00 25.33 C ATOM 1269 OE1 GLU A 79 9.663 11.823 -4.355 1.00 2.25 O ATOM 1270 OE2 GLU A 79 7.730 11.035 -5.022 1.00 33.44 O ATOM 0 H GLU A 79 7.139 9.646 -1.006 1.00 2.34 H new ATOM 0 HA GLU A 79 9.488 9.373 -2.517 1.00 71.01 H new ATOM 0 HB2 GLU A 79 8.532 11.599 -0.669 1.00 40.25 H new ATOM 0 HB3 GLU A 79 9.859 11.758 -1.802 1.00 40.25 H new ATOM 0 HG2 GLU A 79 7.016 11.069 -2.626 1.00 60.22 H new ATOM 0 HG3 GLU A 79 7.645 12.704 -2.578 1.00 60.22 H new ATOM 1277 N ALA A 80 9.902 9.325 0.749 1.00 23.24 N ATOM 1278 CA ALA A 80 10.846 8.951 1.809 1.00 73.35 C ATOM 1279 C ALA A 80 11.395 7.531 1.584 1.00 1.22 C ATOM 1280 O ALA A 80 12.548 7.236 1.898 1.00 53.03 O ATOM 1281 CB ALA A 80 10.170 9.046 3.173 1.00 53.12 C ATOM 0 H ALA A 80 8.946 9.473 1.073 1.00 23.24 H new ATOM 0 HA ALA A 80 11.684 9.647 1.779 1.00 73.35 H new ATOM 0 HB1 ALA A 80 10.880 8.766 3.951 1.00 53.12 H new ATOM 0 HB2 ALA A 80 9.832 10.068 3.341 1.00 53.12 H new ATOM 0 HB3 ALA A 80 9.314 8.371 3.203 1.00 53.12 H new ATOM 1287 N GLU A 81 10.553 6.659 1.025 1.00 61.21 N ATOM 1288 CA GLU A 81 10.964 5.296 0.661 1.00 33.24 C ATOM 1289 C GLU A 81 11.880 5.299 -0.574 1.00 61.14 C ATOM 1290 O GLU A 81 12.442 4.267 -0.945 1.00 15.52 O ATOM 1291 CB GLU A 81 9.727 4.432 0.366 1.00 13.03 C ATOM 1292 CG GLU A 81 8.770 4.275 1.541 1.00 3.30 C ATOM 1293 CD GLU A 81 9.403 3.557 2.717 1.00 1.54 C ATOM 1294 OE1 GLU A 81 9.861 2.407 2.539 1.00 42.54 O ATOM 1295 OE2 GLU A 81 9.464 4.136 3.818 1.00 43.44 O ATOM 0 H GLU A 81 9.578 6.871 0.813 1.00 61.21 H new ATOM 0 HA GLU A 81 11.516 4.881 1.505 1.00 33.24 H new ATOM 0 HB2 GLU A 81 9.185 4.871 -0.472 1.00 13.03 H new ATOM 0 HB3 GLU A 81 10.058 3.443 0.049 1.00 13.03 H new ATOM 0 HG2 GLU A 81 8.430 5.260 1.862 1.00 3.30 H new ATOM 0 HG3 GLU A 81 7.888 3.723 1.215 1.00 3.30 H new ATOM 1302 N GLY A 82 12.023 6.463 -1.206 1.00 20.40 N ATOM 1303 CA GLY A 82 12.780 6.560 -2.450 1.00 21.03 C ATOM 1304 C GLY A 82 11.980 6.077 -3.657 1.00 65.10 C ATOM 1305 O GLY A 82 12.547 5.655 -4.668 1.00 42.02 O ATOM 0 H GLY A 82 11.628 7.345 -0.879 1.00 20.40 H new ATOM 0 HA2 GLY A 82 13.082 7.595 -2.608 1.00 21.03 H new ATOM 0 HA3 GLY A 82 13.693 5.971 -2.363 1.00 21.03 H new ATOM 1309 N ILE A 83 10.654 6.143 -3.547 1.00 11.12 N ATOM 1310 CA ILE A 83 9.758 5.669 -4.604 1.00 23.21 C ATOM 1311 C ILE A 83 9.443 6.769 -5.629 1.00 13.32 C ATOM 1312 O ILE A 83 9.041 7.877 -5.272 1.00 30.24 O ATOM 1313 CB ILE A 83 8.433 5.120 -4.010 1.00 63.31 C ATOM 1314 CG1 ILE A 83 8.723 3.914 -3.098 1.00 25.45 C ATOM 1315 CG2 ILE A 83 7.445 4.740 -5.118 1.00 14.45 C ATOM 1316 CD1 ILE A 83 7.494 3.336 -2.432 1.00 25.32 C ATOM 0 H ILE A 83 10.173 6.522 -2.732 1.00 11.12 H new ATOM 0 HA ILE A 83 10.283 4.863 -5.117 1.00 23.21 H new ATOM 0 HB ILE A 83 7.972 5.907 -3.414 1.00 63.31 H new ATOM 0 HG12 ILE A 83 9.205 3.134 -3.687 1.00 25.45 H new ATOM 0 HG13 ILE A 83 9.433 4.216 -2.328 1.00 25.45 H new ATOM 0 HG21 ILE A 83 6.527 4.359 -4.672 1.00 14.45 H new ATOM 0 HG22 ILE A 83 7.218 5.620 -5.720 1.00 14.45 H new ATOM 0 HG23 ILE A 83 7.887 3.971 -5.751 1.00 14.45 H new ATOM 0 HD11 ILE A 83 7.782 2.491 -1.807 1.00 25.32 H new ATOM 0 HD12 ILE A 83 7.022 4.100 -1.814 1.00 25.32 H new ATOM 0 HD13 ILE A 83 6.791 3.000 -3.194 1.00 25.32 H new ATOM 1328 N GLU A 84 9.656 6.454 -6.903 1.00 73.23 N ATOM 1329 CA GLU A 84 9.289 7.342 -8.008 1.00 54.03 C ATOM 1330 C GLU A 84 7.759 7.451 -8.150 1.00 45.34 C ATOM 1331 O GLU A 84 7.126 6.623 -8.812 1.00 42.11 O ATOM 1332 CB GLU A 84 9.901 6.812 -9.314 1.00 2.32 C ATOM 1333 CG GLU A 84 9.503 7.588 -10.567 1.00 71.24 C ATOM 1334 CD GLU A 84 9.932 6.882 -11.846 1.00 52.33 C ATOM 1335 OE1 GLU A 84 9.446 5.758 -12.096 1.00 74.24 O ATOM 1336 OE2 GLU A 84 10.763 7.437 -12.599 1.00 32.44 O ATOM 0 H GLU A 84 10.087 5.579 -7.201 1.00 73.23 H new ATOM 0 HA GLU A 84 9.678 8.338 -7.796 1.00 54.03 H new ATOM 0 HB2 GLU A 84 10.987 6.828 -9.223 1.00 2.32 H new ATOM 0 HB3 GLU A 84 9.607 5.770 -9.440 1.00 2.32 H new ATOM 0 HG2 GLU A 84 8.422 7.727 -10.577 1.00 71.24 H new ATOM 0 HG3 GLU A 84 9.952 8.581 -10.535 1.00 71.24 H new ATOM 1343 N VAL A 85 7.163 8.448 -7.504 1.00 73.12 N ATOM 1344 CA VAL A 85 5.719 8.669 -7.604 1.00 3.31 C ATOM 1345 C VAL A 85 5.394 9.772 -8.623 1.00 61.34 C ATOM 1346 O VAL A 85 5.755 10.935 -8.426 1.00 52.31 O ATOM 1347 CB VAL A 85 5.100 9.059 -6.239 1.00 54.11 C ATOM 1348 CG1 VAL A 85 3.574 8.994 -6.303 1.00 64.24 C ATOM 1349 CG2 VAL A 85 5.641 8.176 -5.117 1.00 60.51 C ATOM 0 H VAL A 85 7.652 9.115 -6.907 1.00 73.12 H new ATOM 0 HA VAL A 85 5.287 7.725 -7.934 1.00 3.31 H new ATOM 0 HB VAL A 85 5.388 10.087 -6.017 1.00 54.11 H new ATOM 0 HG11 VAL A 85 3.157 9.271 -5.335 1.00 64.24 H new ATOM 0 HG12 VAL A 85 3.212 9.684 -7.065 1.00 64.24 H new ATOM 0 HG13 VAL A 85 3.263 7.980 -6.555 1.00 64.24 H new ATOM 0 HG21 VAL A 85 5.189 8.473 -4.171 1.00 60.51 H new ATOM 0 HG22 VAL A 85 5.398 7.134 -5.325 1.00 60.51 H new ATOM 0 HG23 VAL A 85 6.723 8.290 -5.054 1.00 60.51 H new ATOM 1359 N SER A 86 4.719 9.404 -9.708 1.00 24.05 N ATOM 1360 CA SER A 86 4.298 10.379 -10.727 1.00 43.31 C ATOM 1361 C SER A 86 3.265 11.362 -10.155 1.00 72.33 C ATOM 1362 O SER A 86 2.461 10.990 -9.298 1.00 12.31 O ATOM 1363 CB SER A 86 3.719 9.663 -11.952 1.00 11.22 C ATOM 1364 OG SER A 86 3.295 10.590 -12.938 1.00 74.31 O ATOM 0 H SER A 86 4.449 8.441 -9.910 1.00 24.05 H new ATOM 0 HA SER A 86 5.179 10.944 -11.033 1.00 43.31 H new ATOM 0 HB2 SER A 86 4.471 8.997 -12.375 1.00 11.22 H new ATOM 0 HB3 SER A 86 2.877 9.041 -11.648 1.00 11.22 H new ATOM 0 HG SER A 86 2.932 10.105 -13.708 1.00 74.31 H new ATOM 1370 N GLU A 87 3.274 12.603 -10.662 1.00 54.32 N ATOM 1371 CA GLU A 87 2.493 13.714 -10.074 1.00 2.10 C ATOM 1372 C GLU A 87 1.016 13.363 -9.813 1.00 33.52 C ATOM 1373 O GLU A 87 0.464 13.734 -8.774 1.00 72.13 O ATOM 1374 CB GLU A 87 2.574 14.958 -10.967 1.00 22.43 C ATOM 1375 CG GLU A 87 2.042 14.748 -12.382 1.00 22.02 C ATOM 1376 CD GLU A 87 2.041 16.029 -13.197 1.00 32.12 C ATOM 1377 OE1 GLU A 87 3.117 16.427 -13.698 1.00 24.25 O ATOM 1378 OE2 GLU A 87 0.969 16.658 -13.328 1.00 43.51 O ATOM 0 H GLU A 87 3.816 12.869 -11.484 1.00 54.32 H new ATOM 0 HA GLU A 87 2.946 13.915 -9.103 1.00 2.10 H new ATOM 0 HB2 GLU A 87 2.014 15.766 -10.497 1.00 22.43 H new ATOM 0 HB3 GLU A 87 3.613 15.282 -11.026 1.00 22.43 H new ATOM 0 HG2 GLU A 87 2.651 13.999 -12.888 1.00 22.02 H new ATOM 0 HG3 GLU A 87 1.028 14.353 -12.331 1.00 22.02 H new ATOM 1385 N ILE A 88 0.381 12.639 -10.735 1.00 41.03 N ATOM 1386 CA ILE A 88 -1.034 12.258 -10.581 1.00 65.11 C ATOM 1387 C ILE A 88 -1.224 11.161 -9.517 1.00 42.32 C ATOM 1388 O ILE A 88 -2.320 10.617 -9.358 1.00 21.23 O ATOM 1389 CB ILE A 88 -1.638 11.770 -11.923 1.00 4.23 C ATOM 1390 CG1 ILE A 88 -0.875 10.537 -12.443 1.00 20.11 C ATOM 1391 CG2 ILE A 88 -1.626 12.899 -12.955 1.00 53.13 C ATOM 1392 CD1 ILE A 88 -1.428 9.972 -13.736 1.00 52.44 C ATOM 0 H ILE A 88 0.816 12.303 -11.594 1.00 41.03 H new ATOM 0 HA ILE A 88 -1.557 13.157 -10.255 1.00 65.11 H new ATOM 0 HB ILE A 88 -2.674 11.477 -11.753 1.00 4.23 H new ATOM 0 HG12 ILE A 88 0.171 10.806 -12.593 1.00 20.11 H new ATOM 0 HG13 ILE A 88 -0.897 9.760 -11.679 1.00 20.11 H new ATOM 0 HG21 ILE A 88 -2.053 12.540 -13.892 1.00 53.13 H new ATOM 0 HG22 ILE A 88 -2.216 13.737 -12.584 1.00 53.13 H new ATOM 0 HG23 ILE A 88 -0.600 13.225 -13.126 1.00 53.13 H new ATOM 0 HD11 ILE A 88 -0.838 9.107 -14.037 1.00 52.44 H new ATOM 0 HD12 ILE A 88 -2.465 9.670 -13.587 1.00 52.44 H new ATOM 0 HD13 ILE A 88 -1.380 10.733 -14.515 1.00 52.44 H new ATOM 1404 N GLY A 89 -0.158 10.855 -8.783 1.00 4.15 N ATOM 1405 CA GLY A 89 -0.198 9.794 -7.788 1.00 64.43 C ATOM 1406 C GLY A 89 0.017 8.414 -8.392 1.00 63.01 C ATOM 1407 O GLY A 89 -0.397 7.407 -7.824 1.00 53.03 O ATOM 0 H GLY A 89 0.742 11.328 -8.860 1.00 4.15 H new ATOM 0 HA2 GLY A 89 0.567 9.979 -7.034 1.00 64.43 H new ATOM 0 HA3 GLY A 89 -1.161 9.817 -7.277 1.00 64.43 H new ATOM 1411 N LYS A 90 0.686 8.358 -9.539 1.00 54.51 N ATOM 1412 CA LYS A 90 0.864 7.091 -10.257 1.00 20.20 C ATOM 1413 C LYS A 90 2.179 6.396 -9.866 1.00 2.41 C ATOM 1414 O LYS A 90 3.252 6.995 -9.916 1.00 41.32 O ATOM 1415 CB LYS A 90 0.823 7.322 -11.774 1.00 4.13 C ATOM 1416 CG LYS A 90 0.810 6.031 -12.591 1.00 41.34 C ATOM 1417 CD LYS A 90 -0.464 5.221 -12.347 1.00 70.21 C ATOM 1418 CE LYS A 90 -0.425 3.866 -13.047 1.00 2.23 C ATOM 1419 NZ LYS A 90 0.665 2.994 -12.526 1.00 71.42 N ATOM 0 H LYS A 90 1.113 9.166 -9.992 1.00 54.51 H new ATOM 0 HA LYS A 90 0.040 6.436 -9.972 1.00 20.20 H new ATOM 0 HB2 LYS A 90 -0.064 7.906 -12.020 1.00 4.13 H new ATOM 0 HB3 LYS A 90 1.688 7.918 -12.066 1.00 4.13 H new ATOM 0 HG2 LYS A 90 0.892 6.270 -13.651 1.00 41.34 H new ATOM 0 HG3 LYS A 90 1.680 5.428 -12.332 1.00 41.34 H new ATOM 0 HD2 LYS A 90 -0.598 5.071 -11.276 1.00 70.21 H new ATOM 0 HD3 LYS A 90 -1.326 5.787 -12.701 1.00 70.21 H new ATOM 0 HE2 LYS A 90 -1.384 3.364 -12.916 1.00 2.23 H new ATOM 0 HE3 LYS A 90 -0.287 4.016 -14.118 1.00 2.23 H new ATOM 0 HZ1 LYS A 90 0.306 2.025 -12.404 1.00 71.42 H new ATOM 0 HZ2 LYS A 90 1.457 2.988 -13.200 1.00 71.42 H new ATOM 0 HZ3 LYS A 90 0.994 3.359 -11.610 1.00 71.42 H new ATOM 1433 N ILE A 91 2.077 5.126 -9.481 1.00 62.11 N ATOM 1434 CA ILE A 91 3.246 4.320 -9.107 1.00 52.34 C ATOM 1435 C ILE A 91 3.442 3.152 -10.091 1.00 72.54 C ATOM 1436 O ILE A 91 2.470 2.534 -10.536 1.00 1.22 O ATOM 1437 CB ILE A 91 3.086 3.748 -7.672 1.00 61.54 C ATOM 1438 CG1 ILE A 91 2.773 4.882 -6.677 1.00 41.23 C ATOM 1439 CG2 ILE A 91 4.340 2.977 -7.245 1.00 44.02 C ATOM 1440 CD1 ILE A 91 2.485 4.402 -5.270 1.00 15.23 C ATOM 0 H ILE A 91 1.190 4.626 -9.418 1.00 62.11 H new ATOM 0 HA ILE A 91 4.118 4.973 -9.141 1.00 52.34 H new ATOM 0 HB ILE A 91 2.250 3.048 -7.672 1.00 61.54 H new ATOM 0 HG12 ILE A 91 3.617 5.571 -6.650 1.00 41.23 H new ATOM 0 HG13 ILE A 91 1.914 5.445 -7.041 1.00 41.23 H new ATOM 0 HG21 ILE A 91 4.202 2.587 -6.237 1.00 44.02 H new ATOM 0 HG22 ILE A 91 4.511 2.150 -7.934 1.00 44.02 H new ATOM 0 HG23 ILE A 91 5.201 3.645 -7.261 1.00 44.02 H new ATOM 0 HD11 ILE A 91 2.274 5.258 -4.629 1.00 15.23 H new ATOM 0 HD12 ILE A 91 1.622 3.737 -5.282 1.00 15.23 H new ATOM 0 HD13 ILE A 91 3.352 3.865 -4.884 1.00 15.23 H new ATOM 1452 N ALA A 92 4.691 2.861 -10.441 1.00 32.12 N ATOM 1453 CA ALA A 92 4.998 1.728 -11.320 1.00 10.40 C ATOM 1454 C ALA A 92 5.315 0.456 -10.514 1.00 1.53 C ATOM 1455 O ALA A 92 6.442 0.256 -10.058 1.00 44.24 O ATOM 1456 CB ALA A 92 6.155 2.078 -12.252 1.00 32.13 C ATOM 0 H ALA A 92 5.507 3.389 -10.133 1.00 32.12 H new ATOM 0 HA ALA A 92 4.113 1.522 -11.921 1.00 10.40 H new ATOM 0 HB1 ALA A 92 6.372 1.228 -12.898 1.00 32.13 H new ATOM 0 HB2 ALA A 92 5.882 2.938 -12.863 1.00 32.13 H new ATOM 0 HB3 ALA A 92 7.039 2.319 -11.661 1.00 32.13 H new ATOM 1462 N LEU A 93 4.306 -0.398 -10.323 1.00 5.32 N ATOM 1463 CA LEU A 93 4.497 -1.681 -9.630 1.00 74.13 C ATOM 1464 C LEU A 93 5.580 -2.529 -10.313 1.00 0.41 C ATOM 1465 O LEU A 93 6.334 -3.239 -9.655 1.00 45.12 O ATOM 1466 CB LEU A 93 3.180 -2.469 -9.583 1.00 53.23 C ATOM 1467 CG LEU A 93 2.065 -1.839 -8.736 1.00 45.42 C ATOM 1468 CD1 LEU A 93 0.788 -2.667 -8.824 1.00 51.23 C ATOM 1469 CD2 LEU A 93 2.512 -1.695 -7.283 1.00 31.15 C ATOM 0 H LEU A 93 3.350 -0.228 -10.636 1.00 5.32 H new ATOM 0 HA LEU A 93 4.821 -1.459 -8.613 1.00 74.13 H new ATOM 0 HB2 LEU A 93 2.813 -2.592 -10.602 1.00 53.23 H new ATOM 0 HB3 LEU A 93 3.387 -3.467 -9.196 1.00 53.23 H new ATOM 0 HG LEU A 93 1.855 -0.845 -9.132 1.00 45.42 H new ATOM 0 HD11 LEU A 93 0.011 -2.203 -8.217 1.00 51.23 H new ATOM 0 HD12 LEU A 93 0.457 -2.716 -9.861 1.00 51.23 H new ATOM 0 HD13 LEU A 93 0.982 -3.675 -8.457 1.00 51.23 H new ATOM 0 HD21 LEU A 93 1.709 -1.247 -6.698 1.00 31.15 H new ATOM 0 HD22 LEU A 93 2.752 -2.678 -6.877 1.00 31.15 H new ATOM 0 HD23 LEU A 93 3.395 -1.058 -7.235 1.00 31.15 H new ATOM 1481 N ARG A 94 5.658 -2.422 -11.637 1.00 45.25 N ATOM 1482 CA ARG A 94 6.638 -3.166 -12.444 1.00 22.11 C ATOM 1483 C ARG A 94 8.082 -3.028 -11.914 1.00 30.23 C ATOM 1484 O ARG A 94 8.929 -3.885 -12.176 1.00 41.54 O ATOM 1485 CB ARG A 94 6.551 -2.685 -13.899 1.00 75.42 C ATOM 1486 CG ARG A 94 5.238 -3.065 -14.582 1.00 71.13 C ATOM 1487 CD ARG A 94 4.905 -2.132 -15.739 1.00 20.01 C ATOM 1488 NE ARG A 94 5.994 -2.024 -16.708 1.00 71.32 N ATOM 1489 CZ ARG A 94 6.261 -0.937 -17.383 1.00 10.41 C ATOM 1490 NH1 ARG A 94 5.533 0.126 -17.228 1.00 31.05 N ATOM 1491 NH2 ARG A 94 7.244 -0.922 -18.220 1.00 55.10 N ATOM 0 H ARG A 94 5.046 -1.819 -12.186 1.00 45.25 H new ATOM 0 HA ARG A 94 6.390 -4.225 -12.378 1.00 22.11 H new ATOM 0 HB2 ARG A 94 6.665 -1.601 -13.924 1.00 75.42 H new ATOM 0 HB3 ARG A 94 7.382 -3.106 -14.464 1.00 75.42 H new ATOM 0 HG2 ARG A 94 5.304 -4.089 -14.950 1.00 71.13 H new ATOM 0 HG3 ARG A 94 4.429 -3.040 -13.852 1.00 71.13 H new ATOM 0 HD2 ARG A 94 4.009 -2.492 -16.244 1.00 20.01 H new ATOM 0 HD3 ARG A 94 4.674 -1.142 -15.347 1.00 20.01 H new ATOM 0 HE ARG A 94 6.579 -2.844 -16.867 1.00 71.32 H new ATOM 0 HH11 ARG A 94 4.748 0.116 -16.577 1.00 31.05 H new ATOM 0 HH12 ARG A 94 5.746 0.972 -17.757 1.00 31.05 H new ATOM 0 HH21 ARG A 94 7.812 -1.758 -18.354 1.00 55.10 H new ATOM 0 HH22 ARG A 94 7.452 -0.074 -18.747 1.00 55.10 H new ATOM 1505 N LYS A 95 8.360 -1.957 -11.169 1.00 11.10 N ATOM 1506 CA LYS A 95 9.685 -1.759 -10.563 1.00 71.02 C ATOM 1507 C LYS A 95 9.640 -1.850 -9.022 1.00 33.04 C ATOM 1508 O LYS A 95 10.538 -2.424 -8.401 1.00 11.21 O ATOM 1509 CB LYS A 95 10.282 -0.407 -11.000 1.00 50.35 C ATOM 1510 CG LYS A 95 9.354 0.784 -10.769 1.00 4.41 C ATOM 1511 CD LYS A 95 10.032 2.126 -11.049 1.00 12.11 C ATOM 1512 CE LYS A 95 10.484 2.266 -12.497 1.00 3.34 C ATOM 1513 NZ LYS A 95 11.036 3.621 -12.773 1.00 31.31 N ATOM 0 H LYS A 95 7.691 -1.214 -10.969 1.00 11.10 H new ATOM 0 HA LYS A 95 10.326 -2.566 -10.920 1.00 71.02 H new ATOM 0 HB2 LYS A 95 11.213 -0.240 -10.458 1.00 50.35 H new ATOM 0 HB3 LYS A 95 10.535 -0.458 -12.059 1.00 50.35 H new ATOM 0 HG2 LYS A 95 8.477 0.685 -11.408 1.00 4.41 H new ATOM 0 HG3 LYS A 95 9.000 0.769 -9.738 1.00 4.41 H new ATOM 0 HD2 LYS A 95 9.341 2.934 -10.809 1.00 12.11 H new ATOM 0 HD3 LYS A 95 10.894 2.237 -10.391 1.00 12.11 H new ATOM 0 HE2 LYS A 95 11.241 1.513 -12.716 1.00 3.34 H new ATOM 0 HE3 LYS A 95 9.642 2.074 -13.161 1.00 3.34 H new ATOM 0 HZ1 LYS A 95 11.349 3.673 -13.763 1.00 31.31 H new ATOM 0 HZ2 LYS A 95 10.300 4.337 -12.604 1.00 31.31 H new ATOM 0 HZ3 LYS A 95 11.845 3.801 -12.145 1.00 31.31 H new ATOM 1527 N TYR A 96 8.591 -1.296 -8.403 1.00 31.23 N ATOM 1528 CA TYR A 96 8.510 -1.219 -6.930 1.00 15.21 C ATOM 1529 C TYR A 96 7.676 -2.344 -6.294 1.00 54.23 C ATOM 1530 O TYR A 96 7.396 -2.302 -5.094 1.00 33.14 O ATOM 1531 CB TYR A 96 7.949 0.143 -6.497 1.00 65.33 C ATOM 1532 CG TYR A 96 8.929 1.284 -6.678 1.00 20.30 C ATOM 1533 CD1 TYR A 96 10.032 1.408 -5.842 1.00 23.34 C ATOM 1534 CD2 TYR A 96 8.760 2.226 -7.684 1.00 43.43 C ATOM 1535 CE1 TYR A 96 10.936 2.439 -6.002 1.00 24.22 C ATOM 1536 CE2 TYR A 96 9.658 3.261 -7.850 1.00 71.41 C ATOM 1537 CZ TYR A 96 10.745 3.362 -7.007 1.00 63.24 C ATOM 1538 OH TYR A 96 11.645 4.392 -7.174 1.00 61.21 O ATOM 0 H TYR A 96 7.789 -0.896 -8.890 1.00 31.23 H new ATOM 0 HA TYR A 96 9.531 -1.343 -6.569 1.00 15.21 H new ATOM 0 HB2 TYR A 96 7.047 0.355 -7.071 1.00 65.33 H new ATOM 0 HB3 TYR A 96 7.655 0.090 -5.449 1.00 65.33 H new ATOM 0 HD1 TYR A 96 10.185 0.686 -5.054 1.00 23.34 H new ATOM 0 HD2 TYR A 96 7.912 2.148 -8.348 1.00 43.43 H new ATOM 0 HE1 TYR A 96 11.788 2.522 -5.343 1.00 24.22 H new ATOM 0 HE2 TYR A 96 9.510 3.987 -8.635 1.00 71.41 H new ATOM 0 HH TYR A 96 12.004 4.658 -6.302 1.00 61.21 H new ATOM 1548 N LYS A 97 7.285 -3.351 -7.070 1.00 70.12 N ATOM 1549 CA LYS A 97 6.510 -4.469 -6.519 1.00 24.34 C ATOM 1550 C LYS A 97 7.339 -5.296 -5.524 1.00 12.20 C ATOM 1551 O LYS A 97 8.533 -5.543 -5.729 1.00 73.14 O ATOM 1552 CB LYS A 97 5.967 -5.377 -7.632 1.00 62.42 C ATOM 1553 CG LYS A 97 7.039 -6.043 -8.495 1.00 10.12 C ATOM 1554 CD LYS A 97 6.420 -6.911 -9.588 1.00 65.22 C ATOM 1555 CE LYS A 97 5.567 -8.032 -9.000 1.00 63.13 C ATOM 1556 NZ LYS A 97 4.860 -8.803 -10.053 1.00 44.22 N ATOM 0 H LYS A 97 7.486 -3.421 -8.068 1.00 70.12 H new ATOM 0 HA LYS A 97 5.666 -4.034 -5.984 1.00 24.34 H new ATOM 0 HB2 LYS A 97 5.350 -6.154 -7.180 1.00 62.42 H new ATOM 0 HB3 LYS A 97 5.315 -4.788 -8.277 1.00 62.42 H new ATOM 0 HG2 LYS A 97 7.668 -5.278 -8.950 1.00 10.12 H new ATOM 0 HG3 LYS A 97 7.685 -6.655 -7.866 1.00 10.12 H new ATOM 0 HD2 LYS A 97 5.807 -6.291 -10.242 1.00 65.22 H new ATOM 0 HD3 LYS A 97 7.210 -7.340 -10.204 1.00 65.22 H new ATOM 0 HE2 LYS A 97 6.201 -8.705 -8.422 1.00 63.13 H new ATOM 0 HE3 LYS A 97 4.838 -7.609 -8.309 1.00 63.13 H new ATOM 0 HZ1 LYS A 97 4.292 -9.554 -9.611 1.00 44.22 H new ATOM 0 HZ2 LYS A 97 4.236 -8.167 -10.589 1.00 44.22 H new ATOM 0 HZ3 LYS A 97 5.556 -9.229 -10.698 1.00 44.22 H new ATOM 1570 N TRP A 98 6.701 -5.702 -4.435 1.00 20.33 N ATOM 1571 CA TRP A 98 7.354 -6.516 -3.410 1.00 3.40 C ATOM 1572 C TRP A 98 7.586 -7.961 -3.886 1.00 3.52 C ATOM 1573 O TRP A 98 6.740 -8.554 -4.556 1.00 43.23 O ATOM 1574 CB TRP A 98 6.506 -6.498 -2.129 1.00 71.41 C ATOM 1575 CG TRP A 98 6.961 -7.457 -1.068 1.00 13.15 C ATOM 1576 CD1 TRP A 98 8.246 -7.788 -0.753 1.00 63.51 C ATOM 1577 CD2 TRP A 98 6.125 -8.194 -0.169 1.00 60.32 C ATOM 1578 NE1 TRP A 98 8.260 -8.702 0.270 1.00 22.05 N ATOM 1579 CE2 TRP A 98 6.969 -8.962 0.652 1.00 33.13 C ATOM 1580 CE3 TRP A 98 4.743 -8.278 0.016 1.00 21.43 C ATOM 1581 CZ2 TRP A 98 6.474 -9.806 1.646 1.00 73.53 C ATOM 1582 CZ3 TRP A 98 4.252 -9.112 1.003 1.00 33.51 C ATOM 1583 CH2 TRP A 98 5.116 -9.867 1.806 1.00 34.02 C ATOM 0 H TRP A 98 5.726 -5.481 -4.235 1.00 20.33 H new ATOM 0 HA TRP A 98 8.335 -6.087 -3.206 1.00 3.40 H new ATOM 0 HB2 TRP A 98 6.515 -5.489 -1.717 1.00 71.41 H new ATOM 0 HB3 TRP A 98 5.473 -6.727 -2.389 1.00 71.41 H new ATOM 0 HD1 TRP A 98 9.124 -7.389 -1.238 1.00 63.51 H new ATOM 0 HE1 TRP A 98 9.095 -9.120 0.680 1.00 22.05 H new ATOM 0 HE3 TRP A 98 4.070 -7.701 -0.601 1.00 21.43 H new ATOM 0 HZ2 TRP A 98 7.138 -10.390 2.267 1.00 73.53 H new ATOM 0 HZ3 TRP A 98 3.185 -9.182 1.157 1.00 33.51 H new ATOM 0 HH2 TRP A 98 4.702 -10.511 2.568 1.00 34.02 H new ATOM 1594 N GLN A 99 8.754 -8.507 -3.544 1.00 33.50 N ATOM 1595 CA GLN A 99 9.080 -9.911 -3.818 1.00 61.11 C ATOM 1596 C GLN A 99 8.860 -10.786 -2.561 1.00 15.02 C ATOM 1597 O GLN A 99 9.701 -10.816 -1.665 1.00 54.23 O ATOM 1598 CB GLN A 99 10.540 -10.026 -4.288 1.00 44.21 C ATOM 1599 CG GLN A 99 11.024 -11.464 -4.448 1.00 72.34 C ATOM 1600 CD GLN A 99 12.486 -11.564 -4.860 1.00 42.42 C ATOM 1601 OE1 GLN A 99 13.296 -10.693 -4.557 1.00 44.22 O ATOM 1602 NE2 GLN A 99 12.841 -12.642 -5.527 1.00 61.42 N ATOM 0 H GLN A 99 9.498 -7.993 -3.072 1.00 33.50 H new ATOM 0 HA GLN A 99 8.417 -10.270 -4.605 1.00 61.11 H new ATOM 0 HB2 GLN A 99 10.647 -9.508 -5.241 1.00 44.21 H new ATOM 0 HB3 GLN A 99 11.184 -9.513 -3.573 1.00 44.21 H new ATOM 0 HG2 GLN A 99 10.882 -11.995 -3.507 1.00 72.34 H new ATOM 0 HG3 GLN A 99 10.408 -11.967 -5.194 1.00 72.34 H new ATOM 0 HE21 GLN A 99 12.144 -13.348 -5.764 1.00 61.42 H new ATOM 0 HE22 GLN A 99 13.813 -12.771 -5.807 1.00 61.42 H new ATOM 1611 N PRO A 100 7.714 -11.493 -2.470 1.00 75.01 N ATOM 1612 CA PRO A 100 7.398 -12.368 -1.322 1.00 74.15 C ATOM 1613 C PRO A 100 8.202 -13.682 -1.304 1.00 22.54 C ATOM 1614 O PRO A 100 8.280 -14.351 -0.272 1.00 31.21 O ATOM 1615 CB PRO A 100 5.891 -12.664 -1.491 1.00 34.52 C ATOM 1616 CG PRO A 100 5.417 -11.747 -2.576 1.00 44.54 C ATOM 1617 CD PRO A 100 6.616 -11.470 -3.440 1.00 33.15 C ATOM 0 HA PRO A 100 7.656 -11.881 -0.381 1.00 74.15 H new ATOM 0 HB2 PRO A 100 5.725 -13.707 -1.760 1.00 34.52 H new ATOM 0 HB3 PRO A 100 5.350 -12.484 -0.562 1.00 34.52 H new ATOM 0 HG2 PRO A 100 4.617 -12.209 -3.155 1.00 44.54 H new ATOM 0 HG3 PRO A 100 5.016 -10.824 -2.158 1.00 44.54 H new ATOM 0 HD2 PRO A 100 6.742 -12.226 -4.215 1.00 33.15 H new ATOM 0 HD3 PRO A 100 6.540 -10.507 -3.945 1.00 33.15 H new