USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 791 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 9 SER OG : rot -140:sc= -0.0122 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 71 SER OG : rot 52:sc= 0.605 USER MOD Set 2.2: A 74 SER OG : rot -21:sc= 1.77 USER MOD Set 3.1: A 51 GLN : amide:sc= 0.464 K(o=1.7,f=-3.9) USER MOD Set 3.2: A 92 TYR OH : rot -129:sc= 1.23 USER MOD Set 4.1: A 43 THR OG1 : rot -57:sc= 1.57 USER MOD Set 4.2: A 47 THR OG1 : rot 40:sc= 0.432 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0183 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 27 THR OG1 : rot 65:sc= 0.925 USER MOD Single : A 28 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.54) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.96 K(o=-2,f=-6.2!) USER MOD Single : A 49 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.15) USER MOD Single : A 53 GLN : amide:sc= -1.8 K(o=-1.8,f=-4.5) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.37) USER MOD Single : A 62 MET CE :methyl -153:sc= -0.791 (180deg=-2.19!) USER MOD Single : A 63 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.52) USER MOD Single : A 82 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.3) USER MOD Single : A 83 ASN : amide:sc= -0.0297 K(o=-0.03,f=-0.87) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= -0.0929 (180deg=-0.748) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.322 7.595 4.350 1.00 2.14 N ATOM 2 CA GLY A 1 9.867 6.996 3.110 1.00 74.33 C ATOM 3 C GLY A 1 10.999 6.755 2.132 1.00 65.21 C ATOM 4 O GLY A 1 11.946 7.538 2.063 1.00 1.02 O ATOM 0 H1 GLY A 1 10.278 6.889 5.113 1.00 2.14 H new ATOM 0 H2 GLY A 1 11.302 7.923 4.238 1.00 2.14 H new ATOM 0 H3 GLY A 1 9.712 8.402 4.590 1.00 2.14 H new ATOM 0 HA2 GLY A 1 9.372 6.050 3.328 1.00 74.33 H new ATOM 0 HA3 GLY A 1 9.124 7.646 2.648 1.00 74.33 H new ATOM 8 N ALA A 2 10.904 5.667 1.374 1.00 30.15 N ATOM 9 CA ALA A 2 11.929 5.325 0.396 1.00 54.23 C ATOM 10 C ALA A 2 11.308 5.010 -0.961 1.00 43.02 C ATOM 11 O ALA A 2 10.368 4.222 -1.055 1.00 52.34 O ATOM 12 CB ALA A 2 12.755 4.146 0.887 1.00 44.11 C ATOM 0 H ALA A 2 10.127 5.007 1.419 1.00 30.15 H new ATOM 0 HA ALA A 2 12.584 6.188 0.276 1.00 54.23 H new ATOM 0 HB1 ALA A 2 13.517 3.902 0.146 1.00 44.11 H new ATOM 0 HB2 ALA A 2 13.236 4.406 1.830 1.00 44.11 H new ATOM 0 HB3 ALA A 2 12.105 3.284 1.037 1.00 44.11 H new ATOM 18 N GLU A 3 11.841 5.631 -2.009 1.00 1.00 N ATOM 19 CA GLU A 3 11.337 5.417 -3.361 1.00 24.35 C ATOM 20 C GLU A 3 12.188 4.390 -4.102 1.00 23.42 C ATOM 21 O GLU A 3 13.416 4.470 -4.104 1.00 31.33 O ATOM 22 CB GLU A 3 11.318 6.735 -4.137 1.00 5.23 C ATOM 23 CG GLU A 3 10.040 7.535 -3.947 1.00 64.22 C ATOM 24 CD GLU A 3 9.805 8.531 -5.065 1.00 54.45 C ATOM 25 OE1 GLU A 3 9.972 8.153 -6.243 1.00 63.15 O ATOM 26 OE2 GLU A 3 9.452 9.690 -4.762 1.00 11.43 O ATOM 0 H GLU A 3 12.621 6.286 -1.948 1.00 1.00 H new ATOM 0 HA GLU A 3 10.319 5.034 -3.285 1.00 24.35 H new ATOM 0 HB2 GLU A 3 12.167 7.343 -3.825 1.00 5.23 H new ATOM 0 HB3 GLU A 3 11.450 6.524 -5.198 1.00 5.23 H new ATOM 0 HG2 GLU A 3 9.193 6.852 -3.890 1.00 64.22 H new ATOM 0 HG3 GLU A 3 10.086 8.066 -2.996 1.00 64.22 H new ATOM 33 N GLY A 4 11.525 3.424 -4.731 1.00 25.42 N ATOM 34 CA GLY A 4 12.236 2.394 -5.466 1.00 70.13 C ATOM 35 C GLY A 4 11.366 1.721 -6.509 1.00 54.32 C ATOM 36 O GLY A 4 10.978 2.342 -7.498 1.00 42.20 O ATOM 0 H GLY A 4 10.509 3.336 -4.745 1.00 25.42 H new ATOM 0 HA2 GLY A 4 13.106 2.834 -5.953 1.00 70.13 H new ATOM 0 HA3 GLY A 4 12.607 1.644 -4.768 1.00 70.13 H new ATOM 40 N ASN A 5 11.059 0.447 -6.289 1.00 72.11 N ATOM 41 CA ASN A 5 10.230 -0.311 -7.219 1.00 64.55 C ATOM 42 C ASN A 5 10.781 -0.217 -8.639 1.00 54.23 C ATOM 43 O ASN A 5 10.024 -0.105 -9.605 1.00 21.52 O ATOM 44 CB ASN A 5 8.789 0.199 -7.184 1.00 54.41 C ATOM 45 CG ASN A 5 8.015 -0.336 -5.995 1.00 13.52 C ATOM 46 OD1 ASN A 5 7.852 0.352 -4.986 1.00 75.53 O ATOM 47 ND2 ASN A 5 7.534 -1.568 -6.108 1.00 31.21 N ATOM 0 H ASN A 5 11.372 -0.082 -5.475 1.00 72.11 H new ATOM 0 HA ASN A 5 10.245 -1.356 -6.911 1.00 64.55 H new ATOM 0 HB2 ASN A 5 8.793 1.288 -7.151 1.00 54.41 H new ATOM 0 HB3 ASN A 5 8.282 -0.090 -8.104 1.00 54.41 H new ATOM 0 HD21 ASN A 5 7.005 -1.981 -5.340 1.00 31.21 H new ATOM 0 HD22 ASN A 5 7.693 -2.101 -6.963 1.00 31.21 H new ATOM 54 N THR A 6 12.104 -0.262 -8.760 1.00 31.22 N ATOM 55 CA THR A 6 12.756 -0.181 -10.060 1.00 62.25 C ATOM 56 C THR A 6 12.897 -1.561 -10.692 1.00 24.53 C ATOM 57 O THR A 6 13.964 -2.175 -10.636 1.00 43.32 O ATOM 58 CB THR A 6 14.150 0.466 -9.951 1.00 32.33 C ATOM 59 OG1 THR A 6 14.069 1.678 -9.193 1.00 30.12 O ATOM 60 CG2 THR A 6 14.720 0.761 -11.330 1.00 15.00 C ATOM 0 H THR A 6 12.745 -0.354 -7.972 1.00 31.22 H new ATOM 0 HA THR A 6 12.123 0.442 -10.692 1.00 62.25 H new ATOM 0 HB THR A 6 14.813 -0.235 -9.445 1.00 32.33 H new ATOM 0 HG1 THR A 6 14.959 2.082 -9.127 1.00 30.12 H new ATOM 0 HG21 THR A 6 15.704 1.217 -11.227 1.00 15.00 H new ATOM 0 HG22 THR A 6 14.808 -0.168 -11.894 1.00 15.00 H new ATOM 0 HG23 THR A 6 14.057 1.445 -11.859 1.00 15.00 H new ATOM 68 N LEU A 7 11.816 -2.046 -11.292 1.00 50.43 N ATOM 69 CA LEU A 7 11.820 -3.355 -11.936 1.00 14.22 C ATOM 70 C LEU A 7 12.980 -3.475 -12.918 1.00 70.44 C ATOM 71 O LEU A 7 13.033 -2.764 -13.922 1.00 54.11 O ATOM 72 CB LEU A 7 10.494 -3.591 -12.662 1.00 64.53 C ATOM 73 CG LEU A 7 10.035 -5.046 -12.764 1.00 20.43 C ATOM 74 CD1 LEU A 7 11.058 -5.878 -13.521 1.00 45.24 C ATOM 75 CD2 LEU A 7 9.794 -5.627 -11.378 1.00 31.30 C ATOM 0 H LEU A 7 10.925 -1.552 -11.346 1.00 50.43 H new ATOM 0 HA LEU A 7 11.944 -4.113 -11.163 1.00 14.22 H new ATOM 0 HB2 LEU A 7 9.717 -3.021 -12.153 1.00 64.53 H new ATOM 0 HB3 LEU A 7 10.578 -3.186 -13.670 1.00 64.53 H new ATOM 0 HG LEU A 7 9.096 -5.072 -13.317 1.00 20.43 H new ATOM 0 HD11 LEU A 7 10.713 -6.910 -13.583 1.00 45.24 H new ATOM 0 HD12 LEU A 7 11.182 -5.476 -14.526 1.00 45.24 H new ATOM 0 HD13 LEU A 7 12.013 -5.845 -12.997 1.00 45.24 H new ATOM 0 HD21 LEU A 7 9.468 -6.663 -11.469 1.00 31.30 H new ATOM 0 HD22 LEU A 7 10.718 -5.587 -10.801 1.00 31.30 H new ATOM 0 HD23 LEU A 7 9.023 -5.048 -10.870 1.00 31.30 H new ATOM 87 N ILE A 8 13.906 -4.381 -12.624 1.00 22.42 N ATOM 88 CA ILE A 8 15.064 -4.597 -13.483 1.00 74.21 C ATOM 89 C ILE A 8 15.274 -6.082 -13.760 1.00 34.02 C ATOM 90 O ILE A 8 14.588 -6.933 -13.193 1.00 13.31 O ATOM 91 CB ILE A 8 16.345 -4.017 -12.857 1.00 45.23 C ATOM 92 CG1 ILE A 8 16.538 -4.559 -11.439 1.00 54.05 C ATOM 93 CG2 ILE A 8 16.288 -2.497 -12.846 1.00 12.54 C ATOM 94 CD1 ILE A 8 17.946 -4.392 -10.915 1.00 25.44 C ATOM 0 H ILE A 8 13.877 -4.978 -11.797 1.00 22.42 H new ATOM 0 HA ILE A 8 14.862 -4.080 -14.421 1.00 74.21 H new ATOM 0 HB ILE A 8 17.198 -4.325 -13.462 1.00 45.23 H new ATOM 0 HG12 ILE A 8 15.846 -4.051 -10.767 1.00 54.05 H new ATOM 0 HG13 ILE A 8 16.277 -5.617 -11.425 1.00 54.05 H new ATOM 0 HG21 ILE A 8 17.201 -2.102 -12.400 1.00 12.54 H new ATOM 0 HG22 ILE A 8 16.194 -2.129 -13.868 1.00 12.54 H new ATOM 0 HG23 ILE A 8 15.428 -2.169 -12.262 1.00 12.54 H new ATOM 0 HD11 ILE A 8 18.009 -4.798 -9.906 1.00 25.44 H new ATOM 0 HD12 ILE A 8 18.641 -4.924 -11.564 1.00 25.44 H new ATOM 0 HD13 ILE A 8 18.204 -3.333 -10.897 1.00 25.44 H new ATOM 106 N SER A 9 16.228 -6.386 -14.634 1.00 34.42 N ATOM 107 CA SER A 9 16.527 -7.769 -14.988 1.00 5.15 C ATOM 108 C SER A 9 18.031 -8.025 -14.951 1.00 20.22 C ATOM 109 O SER A 9 18.831 -7.139 -15.251 1.00 1.03 O ATOM 110 CB SER A 9 15.977 -8.093 -16.378 1.00 2.32 C ATOM 111 OG SER A 9 16.595 -7.291 -17.370 1.00 72.20 O ATOM 0 H SER A 9 16.807 -5.694 -15.110 1.00 34.42 H new ATOM 0 HA SER A 9 16.047 -8.418 -14.256 1.00 5.15 H new ATOM 0 HB2 SER A 9 16.143 -9.147 -16.602 1.00 2.32 H new ATOM 0 HB3 SER A 9 14.899 -7.930 -16.393 1.00 2.32 H new ATOM 0 HG SER A 9 15.925 -7.010 -18.028 1.00 72.20 H new ATOM 117 N VAL A 10 18.408 -9.245 -14.581 1.00 2.04 N ATOM 118 CA VAL A 10 19.815 -9.620 -14.505 1.00 61.21 C ATOM 119 C VAL A 10 19.975 -11.132 -14.393 1.00 23.11 C ATOM 120 O VAL A 10 19.099 -11.823 -13.872 1.00 42.41 O ATOM 121 CB VAL A 10 20.511 -8.951 -13.305 1.00 51.31 C ATOM 122 CG1 VAL A 10 19.963 -9.499 -11.996 1.00 41.32 C ATOM 123 CG2 VAL A 10 22.017 -9.147 -13.386 1.00 2.21 C ATOM 0 H VAL A 10 17.759 -9.990 -14.329 1.00 2.04 H new ATOM 0 HA VAL A 10 20.285 -9.275 -15.426 1.00 61.21 H new ATOM 0 HB VAL A 10 20.305 -7.881 -13.338 1.00 51.31 H new ATOM 0 HG11 VAL A 10 20.467 -9.015 -11.160 1.00 41.32 H new ATOM 0 HG12 VAL A 10 18.893 -9.302 -11.939 1.00 41.32 H new ATOM 0 HG13 VAL A 10 20.137 -10.574 -11.951 1.00 41.32 H new ATOM 0 HG21 VAL A 10 22.493 -8.668 -12.530 1.00 2.21 H new ATOM 0 HG22 VAL A 10 22.246 -10.213 -13.379 1.00 2.21 H new ATOM 0 HG23 VAL A 10 22.393 -8.701 -14.307 1.00 2.21 H new ATOM 133 N ASP A 11 21.100 -11.640 -14.884 1.00 61.23 N ATOM 134 CA ASP A 11 21.377 -13.071 -14.838 1.00 31.30 C ATOM 135 C ASP A 11 22.501 -13.376 -13.853 1.00 45.42 C ATOM 136 O ASP A 11 23.004 -12.481 -13.173 1.00 51.41 O ATOM 137 CB ASP A 11 21.748 -13.586 -16.230 1.00 14.03 C ATOM 138 CG ASP A 11 20.550 -13.666 -17.156 1.00 12.44 C ATOM 139 OD1 ASP A 11 19.826 -12.655 -17.278 1.00 60.13 O ATOM 140 OD2 ASP A 11 20.337 -14.738 -17.758 1.00 74.22 O ATOM 0 H ASP A 11 21.835 -11.082 -15.319 1.00 61.23 H new ATOM 0 HA ASP A 11 20.474 -13.580 -14.500 1.00 31.30 H new ATOM 0 HB2 ASP A 11 22.499 -12.930 -16.669 1.00 14.03 H new ATOM 0 HB3 ASP A 11 22.201 -14.573 -16.140 1.00 14.03 H new ATOM 145 N TYR A 12 22.891 -14.644 -13.781 1.00 52.44 N ATOM 146 CA TYR A 12 23.954 -15.067 -12.877 1.00 55.33 C ATOM 147 C TYR A 12 24.746 -16.226 -13.473 1.00 62.20 C ATOM 148 O TYR A 12 24.461 -16.683 -14.579 1.00 75.41 O ATOM 149 CB TYR A 12 23.368 -15.476 -11.525 1.00 21.32 C ATOM 150 CG TYR A 12 22.625 -14.362 -10.824 1.00 52.51 C ATOM 151 CD1 TYR A 12 23.301 -13.252 -10.332 1.00 53.52 C ATOM 152 CD2 TYR A 12 21.247 -14.418 -10.653 1.00 62.40 C ATOM 153 CE1 TYR A 12 22.626 -12.231 -9.691 1.00 10.23 C ATOM 154 CE2 TYR A 12 20.564 -13.402 -10.014 1.00 42.22 C ATOM 155 CZ TYR A 12 21.258 -12.310 -9.535 1.00 31.33 C ATOM 156 OH TYR A 12 20.581 -11.296 -8.896 1.00 63.15 O ATOM 0 H TYR A 12 22.487 -15.397 -14.338 1.00 52.44 H new ATOM 0 HA TYR A 12 24.631 -14.225 -12.732 1.00 55.33 H new ATOM 0 HB2 TYR A 12 22.690 -16.317 -11.672 1.00 21.32 H new ATOM 0 HB3 TYR A 12 24.174 -15.825 -10.880 1.00 21.32 H new ATOM 0 HD1 TYR A 12 24.372 -13.186 -10.453 1.00 53.52 H new ATOM 0 HD2 TYR A 12 20.700 -15.271 -11.027 1.00 62.40 H new ATOM 0 HE1 TYR A 12 23.167 -11.376 -9.314 1.00 10.23 H new ATOM 0 HE2 TYR A 12 19.493 -13.462 -9.890 1.00 42.22 H new ATOM 0 HH TYR A 12 21.051 -10.448 -9.039 1.00 63.15 H new ATOM 166 N GLU A 13 25.743 -16.696 -12.730 1.00 62.50 N ATOM 167 CA GLU A 13 26.578 -17.802 -13.184 1.00 72.55 C ATOM 168 C GLU A 13 27.440 -18.337 -12.045 1.00 24.12 C ATOM 169 O GLU A 13 28.209 -17.595 -11.434 1.00 4.44 O ATOM 170 CB GLU A 13 27.468 -17.355 -14.346 1.00 31.21 C ATOM 171 CG GLU A 13 28.237 -18.493 -14.997 1.00 14.22 C ATOM 172 CD GLU A 13 29.015 -18.047 -16.219 1.00 51.43 C ATOM 173 OE1 GLU A 13 28.382 -17.561 -17.180 1.00 51.11 O ATOM 174 OE2 GLU A 13 30.256 -18.183 -16.216 1.00 21.25 O ATOM 0 H GLU A 13 25.992 -16.328 -11.812 1.00 62.50 H new ATOM 0 HA GLU A 13 25.921 -18.602 -13.526 1.00 72.55 H new ATOM 0 HB2 GLU A 13 26.849 -16.868 -15.100 1.00 31.21 H new ATOM 0 HB3 GLU A 13 28.176 -16.609 -13.984 1.00 31.21 H new ATOM 0 HG2 GLU A 13 28.925 -18.924 -14.270 1.00 14.22 H new ATOM 0 HG3 GLU A 13 27.540 -19.281 -15.282 1.00 14.22 H new ATOM 181 N ILE A 14 27.306 -19.629 -11.765 1.00 30.01 N ATOM 182 CA ILE A 14 28.073 -20.263 -10.700 1.00 32.22 C ATOM 183 C ILE A 14 28.866 -21.454 -11.227 1.00 73.14 C ATOM 184 O ILE A 14 28.374 -22.225 -12.052 1.00 42.55 O ATOM 185 CB ILE A 14 27.159 -20.736 -9.553 1.00 65.25 C ATOM 186 CG1 ILE A 14 26.618 -19.535 -8.775 1.00 71.32 C ATOM 187 CG2 ILE A 14 27.916 -21.677 -8.628 1.00 32.05 C ATOM 188 CD1 ILE A 14 25.516 -18.794 -9.498 1.00 54.35 C ATOM 0 H ILE A 14 26.674 -20.257 -12.261 1.00 30.01 H new ATOM 0 HA ILE A 14 28.763 -19.511 -10.318 1.00 32.22 H new ATOM 0 HB ILE A 14 26.315 -21.278 -9.979 1.00 65.25 H new ATOM 0 HG12 ILE A 14 26.243 -19.876 -7.810 1.00 71.32 H new ATOM 0 HG13 ILE A 14 27.437 -18.845 -8.573 1.00 71.32 H new ATOM 0 HG21 ILE A 14 27.258 -22.003 -7.823 1.00 32.05 H new ATOM 0 HG22 ILE A 14 28.257 -22.545 -9.192 1.00 32.05 H new ATOM 0 HG23 ILE A 14 28.776 -21.158 -8.206 1.00 32.05 H new ATOM 0 HD11 ILE A 14 25.181 -17.955 -8.888 1.00 54.35 H new ATOM 0 HD12 ILE A 14 25.892 -18.422 -10.451 1.00 54.35 H new ATOM 0 HD13 ILE A 14 24.680 -19.470 -9.677 1.00 54.35 H new ATOM 200 N PHE A 15 30.095 -21.600 -10.744 1.00 61.15 N ATOM 201 CA PHE A 15 30.957 -22.698 -11.167 1.00 31.25 C ATOM 202 C PHE A 15 31.340 -23.577 -9.979 1.00 14.41 C ATOM 203 O PHE A 15 31.355 -23.122 -8.836 1.00 3.20 O ATOM 204 CB PHE A 15 32.218 -22.155 -11.841 1.00 3.54 C ATOM 205 CG PHE A 15 32.965 -23.187 -12.636 1.00 4.23 C ATOM 206 CD1 PHE A 15 32.306 -23.975 -13.565 1.00 22.30 C ATOM 207 CD2 PHE A 15 34.327 -23.368 -12.454 1.00 70.33 C ATOM 208 CE1 PHE A 15 32.991 -24.926 -14.297 1.00 62.33 C ATOM 209 CE2 PHE A 15 35.018 -24.318 -13.184 1.00 55.41 C ATOM 210 CZ PHE A 15 34.349 -25.097 -14.108 1.00 13.15 C ATOM 0 H PHE A 15 30.517 -20.972 -10.060 1.00 61.15 H new ATOM 0 HA PHE A 15 30.404 -23.305 -11.883 1.00 31.25 H new ATOM 0 HB2 PHE A 15 31.942 -21.331 -12.499 1.00 3.54 H new ATOM 0 HB3 PHE A 15 32.881 -21.746 -11.078 1.00 3.54 H new ATOM 0 HD1 PHE A 15 31.245 -23.845 -13.719 1.00 22.30 H new ATOM 0 HD2 PHE A 15 34.855 -22.760 -11.734 1.00 70.33 H new ATOM 0 HE1 PHE A 15 32.465 -25.536 -15.017 1.00 62.33 H new ATOM 0 HE2 PHE A 15 36.079 -24.451 -13.032 1.00 55.41 H new ATOM 0 HZ PHE A 15 34.886 -25.838 -14.681 1.00 13.15 H new ATOM 220 N GLY A 16 31.647 -24.839 -10.259 1.00 63.42 N ATOM 221 CA GLY A 16 32.025 -25.762 -9.205 1.00 20.40 C ATOM 222 C GLY A 16 31.251 -27.064 -9.269 1.00 72.01 C ATOM 223 O GLY A 16 31.202 -27.716 -10.312 1.00 43.14 O ATOM 0 H GLY A 16 31.641 -25.239 -11.197 1.00 63.42 H new ATOM 0 HA2 GLY A 16 33.092 -25.973 -9.277 1.00 20.40 H new ATOM 0 HA3 GLY A 16 31.858 -25.291 -8.236 1.00 20.40 H new ATOM 227 N LYS A 17 30.644 -27.446 -8.150 1.00 43.41 N ATOM 228 CA LYS A 17 29.869 -28.678 -8.082 1.00 34.23 C ATOM 229 C LYS A 17 28.392 -28.408 -8.352 1.00 40.43 C ATOM 230 O LYS A 17 27.517 -28.965 -7.690 1.00 71.51 O ATOM 231 CB LYS A 17 30.035 -29.334 -6.709 1.00 73.11 C ATOM 232 CG LYS A 17 29.556 -30.775 -6.661 1.00 42.15 C ATOM 233 CD LYS A 17 30.672 -31.745 -7.014 1.00 14.24 C ATOM 234 CE LYS A 17 30.134 -33.145 -7.265 1.00 31.22 C ATOM 235 NZ LYS A 17 31.188 -34.183 -7.094 1.00 20.12 N ATOM 0 H LYS A 17 30.674 -26.919 -7.277 1.00 43.41 H new ATOM 0 HA LYS A 17 30.243 -29.355 -8.850 1.00 34.23 H new ATOM 0 HB2 LYS A 17 31.087 -29.300 -6.424 1.00 73.11 H new ATOM 0 HB3 LYS A 17 29.485 -28.752 -5.969 1.00 73.11 H new ATOM 0 HG2 LYS A 17 29.178 -31.001 -5.664 1.00 42.15 H new ATOM 0 HG3 LYS A 17 28.725 -30.907 -7.354 1.00 42.15 H new ATOM 0 HD2 LYS A 17 31.196 -31.391 -7.902 1.00 14.24 H new ATOM 0 HD3 LYS A 17 31.401 -31.774 -6.204 1.00 14.24 H new ATOM 0 HE2 LYS A 17 29.311 -33.346 -6.579 1.00 31.22 H new ATOM 0 HE3 LYS A 17 29.728 -33.202 -8.275 1.00 31.22 H new ATOM 0 HZ1 LYS A 17 30.782 -35.123 -7.274 1.00 20.12 H new ATOM 0 HZ2 LYS A 17 31.962 -34.006 -7.766 1.00 20.12 H new ATOM 0 HZ3 LYS A 17 31.558 -34.146 -6.123 1.00 20.12 H new ATOM 249 N VAL A 18 28.122 -27.549 -9.330 1.00 71.04 N ATOM 250 CA VAL A 18 26.751 -27.207 -9.690 1.00 41.43 C ATOM 251 C VAL A 18 26.348 -27.862 -11.006 1.00 64.05 C ATOM 252 O VAL A 18 25.492 -27.352 -11.728 1.00 12.10 O ATOM 253 CB VAL A 18 26.566 -25.682 -9.811 1.00 25.31 C ATOM 254 CG1 VAL A 18 26.669 -25.022 -8.444 1.00 71.14 C ATOM 255 CG2 VAL A 18 27.589 -25.097 -10.773 1.00 50.30 C ATOM 0 H VAL A 18 28.835 -27.077 -9.887 1.00 71.04 H new ATOM 0 HA VAL A 18 26.112 -27.581 -8.890 1.00 41.43 H new ATOM 0 HB VAL A 18 25.571 -25.484 -10.210 1.00 25.31 H new ATOM 0 HG11 VAL A 18 26.536 -23.945 -8.549 1.00 71.14 H new ATOM 0 HG12 VAL A 18 25.895 -25.421 -7.788 1.00 71.14 H new ATOM 0 HG13 VAL A 18 27.650 -25.226 -8.014 1.00 71.14 H new ATOM 0 HG21 VAL A 18 27.444 -24.019 -10.847 1.00 50.30 H new ATOM 0 HG22 VAL A 18 28.594 -25.304 -10.405 1.00 50.30 H new ATOM 0 HG23 VAL A 18 27.463 -25.548 -11.757 1.00 50.30 H new ATOM 265 N GLN A 19 26.972 -28.995 -11.312 1.00 32.41 N ATOM 266 CA GLN A 19 26.678 -29.721 -12.542 1.00 50.33 C ATOM 267 C GLN A 19 25.955 -31.030 -12.243 1.00 52.30 C ATOM 268 O GLN A 19 24.894 -31.306 -12.801 1.00 13.11 O ATOM 269 CB GLN A 19 27.968 -30.002 -13.314 1.00 24.00 C ATOM 270 CG GLN A 19 28.696 -28.745 -13.761 1.00 43.41 C ATOM 271 CD GLN A 19 30.031 -29.044 -14.414 1.00 24.01 C ATOM 272 OE1 GLN A 19 30.104 -29.790 -15.391 1.00 3.10 O ATOM 273 NE2 GLN A 19 31.097 -28.462 -13.876 1.00 62.43 N ATOM 0 H GLN A 19 27.684 -29.430 -10.725 1.00 32.41 H new ATOM 0 HA GLN A 19 26.025 -29.099 -13.154 1.00 50.33 H new ATOM 0 HB2 GLN A 19 28.635 -30.594 -12.687 1.00 24.00 H new ATOM 0 HB3 GLN A 19 27.733 -30.607 -14.190 1.00 24.00 H new ATOM 0 HG2 GLN A 19 28.068 -28.196 -14.462 1.00 43.41 H new ATOM 0 HG3 GLN A 19 28.855 -28.096 -12.900 1.00 43.41 H new ATOM 0 HE21 GLN A 19 30.990 -27.851 -13.066 1.00 62.43 H new ATOM 0 HE22 GLN A 19 32.022 -28.626 -14.273 1.00 62.43 H new ATOM 282 N GLY A 20 26.537 -31.833 -11.358 1.00 65.33 N ATOM 283 CA GLY A 20 25.935 -33.104 -11.001 1.00 33.12 C ATOM 284 C GLY A 20 25.241 -33.058 -9.654 1.00 25.45 C ATOM 285 O GLY A 20 25.692 -33.683 -8.694 1.00 25.45 O ATOM 0 H GLY A 20 27.415 -31.626 -10.882 1.00 65.33 H new ATOM 0 HA2 GLY A 20 25.215 -33.390 -11.768 1.00 33.12 H new ATOM 0 HA3 GLY A 20 26.705 -33.875 -10.984 1.00 33.12 H new ATOM 289 N VAL A 21 24.142 -32.315 -9.580 1.00 50.13 N ATOM 290 CA VAL A 21 23.385 -32.189 -8.340 1.00 63.24 C ATOM 291 C VAL A 21 21.966 -31.704 -8.610 1.00 15.51 C ATOM 292 O VAL A 21 21.735 -30.893 -9.508 1.00 30.14 O ATOM 293 CB VAL A 21 24.071 -31.219 -7.360 1.00 52.55 C ATOM 294 CG1 VAL A 21 24.275 -29.859 -8.011 1.00 4.22 C ATOM 295 CG2 VAL A 21 23.257 -31.090 -6.082 1.00 30.03 C ATOM 0 H VAL A 21 23.755 -31.791 -10.365 1.00 50.13 H new ATOM 0 HA VAL A 21 23.347 -33.181 -7.890 1.00 63.24 H new ATOM 0 HB VAL A 21 25.050 -31.622 -7.101 1.00 52.55 H new ATOM 0 HG11 VAL A 21 24.761 -29.186 -7.304 1.00 4.22 H new ATOM 0 HG12 VAL A 21 24.902 -29.970 -8.896 1.00 4.22 H new ATOM 0 HG13 VAL A 21 23.309 -29.445 -8.300 1.00 4.22 H new ATOM 0 HG21 VAL A 21 23.756 -30.401 -5.401 1.00 30.03 H new ATOM 0 HG22 VAL A 21 22.264 -30.709 -6.320 1.00 30.03 H new ATOM 0 HG23 VAL A 21 23.167 -32.067 -5.608 1.00 30.03 H new ATOM 305 N PHE A 22 21.016 -32.204 -7.826 1.00 42.12 N ATOM 306 CA PHE A 22 19.617 -31.822 -7.980 1.00 44.51 C ATOM 307 C PHE A 22 19.301 -30.574 -7.160 1.00 62.03 C ATOM 308 O PHE A 22 18.671 -30.654 -6.106 1.00 10.24 O ATOM 309 CB PHE A 22 18.702 -32.971 -7.554 1.00 24.34 C ATOM 310 CG PHE A 22 19.051 -34.284 -8.195 1.00 75.01 C ATOM 311 CD1 PHE A 22 18.919 -34.458 -9.563 1.00 71.13 C ATOM 312 CD2 PHE A 22 19.509 -35.344 -7.430 1.00 32.24 C ATOM 313 CE1 PHE A 22 19.239 -35.665 -10.157 1.00 12.31 C ATOM 314 CE2 PHE A 22 19.831 -36.553 -8.018 1.00 14.24 C ATOM 315 CZ PHE A 22 19.694 -36.714 -9.383 1.00 2.23 C ATOM 0 H PHE A 22 21.190 -32.875 -7.078 1.00 42.12 H new ATOM 0 HA PHE A 22 19.441 -31.599 -9.032 1.00 44.51 H new ATOM 0 HB2 PHE A 22 18.750 -33.081 -6.471 1.00 24.34 H new ATOM 0 HB3 PHE A 22 17.672 -32.716 -7.803 1.00 24.34 H new ATOM 0 HD1 PHE A 22 18.562 -33.641 -10.173 1.00 71.13 H new ATOM 0 HD2 PHE A 22 19.616 -35.225 -6.362 1.00 32.24 H new ATOM 0 HE1 PHE A 22 19.133 -35.787 -11.225 1.00 12.31 H new ATOM 0 HE2 PHE A 22 20.189 -37.371 -7.411 1.00 14.24 H new ATOM 0 HZ PHE A 22 19.942 -37.659 -9.844 1.00 2.23 H new ATOM 325 N PHE A 23 19.744 -29.422 -7.653 1.00 10.13 N ATOM 326 CA PHE A 23 19.510 -28.157 -6.966 1.00 3.20 C ATOM 327 C PHE A 23 18.552 -27.275 -7.762 1.00 4.14 C ATOM 328 O PHE A 23 17.857 -26.430 -7.198 1.00 53.11 O ATOM 329 CB PHE A 23 20.833 -27.421 -6.743 1.00 42.05 C ATOM 330 CG PHE A 23 21.408 -26.829 -7.998 1.00 65.24 C ATOM 331 CD1 PHE A 23 22.008 -27.638 -8.950 1.00 71.31 C ATOM 332 CD2 PHE A 23 21.350 -25.464 -8.226 1.00 42.31 C ATOM 333 CE1 PHE A 23 22.538 -27.097 -10.106 1.00 71.13 C ATOM 334 CE2 PHE A 23 21.878 -24.917 -9.380 1.00 40.14 C ATOM 335 CZ PHE A 23 22.474 -25.734 -10.321 1.00 73.31 C ATOM 0 H PHE A 23 20.267 -29.338 -8.525 1.00 10.13 H new ATOM 0 HA PHE A 23 19.056 -28.376 -5.999 1.00 3.20 H new ATOM 0 HB2 PHE A 23 20.679 -26.626 -6.013 1.00 42.05 H new ATOM 0 HB3 PHE A 23 21.557 -28.113 -6.312 1.00 42.05 H new ATOM 0 HD1 PHE A 23 22.062 -28.704 -8.786 1.00 71.31 H new ATOM 0 HD2 PHE A 23 20.887 -24.820 -7.493 1.00 42.31 H new ATOM 0 HE1 PHE A 23 23.002 -27.739 -10.840 1.00 71.13 H new ATOM 0 HE2 PHE A 23 21.825 -23.851 -9.546 1.00 40.14 H new ATOM 0 HZ PHE A 23 22.889 -25.308 -11.223 1.00 73.31 H new ATOM 345 N ARG A 24 18.523 -27.478 -9.075 1.00 1.04 N ATOM 346 CA ARG A 24 17.653 -26.701 -9.949 1.00 14.23 C ATOM 347 C ARG A 24 16.210 -26.737 -9.452 1.00 24.43 C ATOM 348 O ARG A 24 15.462 -25.774 -9.613 1.00 54.55 O ATOM 349 CB ARG A 24 17.724 -27.235 -11.380 1.00 53.14 C ATOM 350 CG ARG A 24 16.999 -28.557 -11.574 1.00 10.10 C ATOM 351 CD ARG A 24 17.435 -29.249 -12.856 1.00 51.42 C ATOM 352 NE ARG A 24 17.166 -30.684 -12.822 1.00 43.34 N ATOM 353 CZ ARG A 24 17.561 -31.528 -13.769 1.00 52.33 C ATOM 354 NH1 ARG A 24 18.238 -31.083 -14.819 1.00 1.55 N ATOM 355 NH2 ARG A 24 17.278 -32.820 -13.667 1.00 62.24 N ATOM 0 H ARG A 24 19.092 -28.174 -9.557 1.00 1.04 H new ATOM 0 HA ARG A 24 17.998 -25.667 -9.937 1.00 14.23 H new ATOM 0 HB2 ARG A 24 17.298 -26.494 -12.057 1.00 53.14 H new ATOM 0 HB3 ARG A 24 18.770 -27.359 -11.661 1.00 53.14 H new ATOM 0 HG2 ARG A 24 17.195 -29.209 -10.723 1.00 10.10 H new ATOM 0 HG3 ARG A 24 15.923 -28.383 -11.601 1.00 10.10 H new ATOM 0 HD2 ARG A 24 16.915 -28.803 -13.704 1.00 51.42 H new ATOM 0 HD3 ARG A 24 18.501 -29.084 -13.013 1.00 51.42 H new ATOM 0 HE ARG A 24 16.647 -31.059 -12.028 1.00 43.34 H new ATOM 0 HH11 ARG A 24 18.457 -30.090 -14.901 1.00 1.55 H new ATOM 0 HH12 ARG A 24 18.540 -31.734 -15.544 1.00 1.55 H new ATOM 0 HH21 ARG A 24 16.757 -33.166 -12.861 1.00 62.24 H new ATOM 0 HH22 ARG A 24 17.581 -33.468 -14.394 1.00 62.24 H new ATOM 369 N LYS A 25 15.827 -27.856 -8.846 1.00 72.45 N ATOM 370 CA LYS A 25 14.475 -28.020 -8.325 1.00 2.03 C ATOM 371 C LYS A 25 14.251 -27.131 -7.105 1.00 64.43 C ATOM 372 O LYS A 25 13.194 -26.519 -6.957 1.00 14.41 O ATOM 373 CB LYS A 25 14.222 -29.484 -7.956 1.00 5.42 C ATOM 374 CG LYS A 25 13.896 -30.364 -9.150 1.00 21.14 C ATOM 375 CD LYS A 25 13.486 -31.761 -8.716 1.00 74.51 C ATOM 376 CE LYS A 25 12.190 -31.740 -7.920 1.00 0.14 C ATOM 377 NZ LYS A 25 11.562 -33.088 -7.845 1.00 24.31 N ATOM 0 H LYS A 25 16.434 -28.663 -8.704 1.00 72.45 H new ATOM 0 HA LYS A 25 13.773 -27.722 -9.104 1.00 2.03 H new ATOM 0 HB2 LYS A 25 15.104 -29.881 -7.453 1.00 5.42 H new ATOM 0 HB3 LYS A 25 13.399 -29.533 -7.243 1.00 5.42 H new ATOM 0 HG2 LYS A 25 13.091 -29.911 -9.729 1.00 21.14 H new ATOM 0 HG3 LYS A 25 14.764 -30.426 -9.806 1.00 21.14 H new ATOM 0 HD2 LYS A 25 13.364 -32.395 -9.594 1.00 74.51 H new ATOM 0 HD3 LYS A 25 14.278 -32.202 -8.111 1.00 74.51 H new ATOM 0 HE2 LYS A 25 12.389 -31.376 -6.912 1.00 0.14 H new ATOM 0 HE3 LYS A 25 11.493 -31.040 -8.380 1.00 0.14 H new ATOM 0 HZ1 LYS A 25 10.682 -33.031 -7.294 1.00 24.31 H new ATOM 0 HZ2 LYS A 25 11.348 -33.425 -8.805 1.00 24.31 H new ATOM 0 HZ3 LYS A 25 12.217 -33.751 -7.383 1.00 24.31 H new ATOM 391 N HIS A 26 15.254 -27.065 -6.235 1.00 41.21 N ATOM 392 CA HIS A 26 15.167 -26.249 -5.029 1.00 50.23 C ATOM 393 C HIS A 26 15.332 -24.769 -5.362 1.00 13.13 C ATOM 394 O HIS A 26 14.842 -23.901 -4.639 1.00 14.51 O ATOM 395 CB HIS A 26 16.232 -26.678 -4.019 1.00 74.34 C ATOM 396 CG HIS A 26 15.834 -26.444 -2.594 1.00 64.44 C ATOM 397 ND1 HIS A 26 16.478 -25.545 -1.772 1.00 4.35 N ATOM 398 CD2 HIS A 26 14.851 -26.998 -1.847 1.00 71.12 C ATOM 399 CE1 HIS A 26 15.909 -25.556 -0.579 1.00 64.33 C ATOM 400 NE2 HIS A 26 14.919 -26.430 -0.599 1.00 53.40 N ATOM 0 H HIS A 26 16.136 -27.566 -6.343 1.00 41.21 H new ATOM 0 HA HIS A 26 14.180 -26.397 -4.590 1.00 50.23 H new ATOM 0 HB2 HIS A 26 16.447 -27.737 -4.158 1.00 74.34 H new ATOM 0 HB3 HIS A 26 17.155 -26.135 -4.224 1.00 74.34 H new ATOM 0 HD2 HIS A 26 14.145 -27.747 -2.172 1.00 71.12 H new ATOM 0 HE1 HIS A 26 16.203 -24.953 0.267 1.00 64.33 H new ATOM 0 HE2 HIS A 26 14.305 -26.648 0.186 1.00 53.40 H new ATOM 408 N THR A 27 16.026 -24.488 -6.460 1.00 50.41 N ATOM 409 CA THR A 27 16.257 -23.113 -6.887 1.00 62.51 C ATOM 410 C THR A 27 14.967 -22.466 -7.378 1.00 4.23 C ATOM 411 O THR A 27 14.826 -21.244 -7.348 1.00 2.42 O ATOM 412 CB THR A 27 17.312 -23.043 -8.007 1.00 71.35 C ATOM 413 OG1 THR A 27 18.520 -23.686 -7.584 1.00 53.33 O ATOM 414 CG2 THR A 27 17.605 -21.599 -8.385 1.00 21.10 C ATOM 0 H THR A 27 16.438 -25.194 -7.070 1.00 50.41 H new ATOM 0 HA THR A 27 16.625 -22.569 -6.017 1.00 62.51 H new ATOM 0 HB THR A 27 16.915 -23.557 -8.882 1.00 71.35 H new ATOM 0 HG1 THR A 27 18.352 -24.642 -7.449 1.00 53.33 H new ATOM 0 HG21 THR A 27 18.353 -21.575 -9.178 1.00 21.10 H new ATOM 0 HG22 THR A 27 16.690 -21.122 -8.735 1.00 21.10 H new ATOM 0 HG23 THR A 27 17.983 -21.064 -7.514 1.00 21.10 H new ATOM 422 N GLN A 28 14.029 -23.293 -7.828 1.00 44.20 N ATOM 423 CA GLN A 28 12.751 -22.799 -8.325 1.00 53.20 C ATOM 424 C GLN A 28 11.825 -22.427 -7.171 1.00 42.13 C ATOM 425 O GLN A 28 11.076 -21.454 -7.253 1.00 1.14 O ATOM 426 CB GLN A 28 12.083 -23.852 -9.211 1.00 51.32 C ATOM 427 CG GLN A 28 10.658 -23.499 -9.606 1.00 33.42 C ATOM 428 CD GLN A 28 10.577 -22.226 -10.424 1.00 54.11 C ATOM 429 OE1 GLN A 28 10.432 -21.132 -9.878 1.00 42.41 O ATOM 430 NE2 GLN A 28 10.669 -22.362 -11.742 1.00 3.42 N ATOM 0 H GLN A 28 14.130 -24.308 -7.859 1.00 44.20 H new ATOM 0 HA GLN A 28 12.942 -21.904 -8.917 1.00 53.20 H new ATOM 0 HB2 GLN A 28 12.679 -23.986 -10.114 1.00 51.32 H new ATOM 0 HB3 GLN A 28 12.080 -24.807 -8.686 1.00 51.32 H new ATOM 0 HG2 GLN A 28 10.229 -24.322 -10.178 1.00 33.42 H new ATOM 0 HG3 GLN A 28 10.053 -23.387 -8.706 1.00 33.42 H new ATOM 0 HE21 GLN A 28 10.789 -23.288 -12.152 1.00 3.42 H new ATOM 0 HE22 GLN A 28 10.620 -21.540 -12.344 1.00 3.42 H new ATOM 439 N ALA A 29 11.882 -23.208 -6.098 1.00 24.32 N ATOM 440 CA ALA A 29 11.051 -22.960 -4.927 1.00 14.10 C ATOM 441 C ALA A 29 11.452 -21.662 -4.234 1.00 33.22 C ATOM 442 O ALA A 29 10.711 -20.680 -4.259 1.00 35.41 O ATOM 443 CB ALA A 29 11.142 -24.129 -3.957 1.00 51.31 C ATOM 0 H ALA A 29 12.496 -24.019 -6.015 1.00 24.32 H new ATOM 0 HA ALA A 29 10.018 -22.859 -5.260 1.00 14.10 H new ATOM 0 HB1 ALA A 29 10.516 -23.930 -3.087 1.00 51.31 H new ATOM 0 HB2 ALA A 29 10.799 -25.039 -4.450 1.00 51.31 H new ATOM 0 HB3 ALA A 29 12.176 -24.257 -3.638 1.00 51.31 H new ATOM 449 N GLU A 30 12.629 -21.666 -3.616 1.00 34.25 N ATOM 450 CA GLU A 30 13.126 -20.489 -2.914 1.00 42.52 C ATOM 451 C GLU A 30 13.333 -19.326 -3.881 1.00 64.54 C ATOM 452 O GLU A 30 13.285 -18.162 -3.489 1.00 1.43 O ATOM 453 CB GLU A 30 14.440 -20.811 -2.198 1.00 55.13 C ATOM 454 CG GLU A 30 14.664 -19.990 -0.939 1.00 72.34 C ATOM 455 CD GLU A 30 15.570 -20.686 0.057 1.00 24.50 C ATOM 456 OE1 GLU A 30 16.767 -20.865 -0.252 1.00 51.42 O ATOM 457 OE2 GLU A 30 15.082 -21.053 1.147 1.00 44.03 O ATOM 0 H GLU A 30 13.255 -22.471 -3.587 1.00 34.25 H new ATOM 0 HA GLU A 30 12.380 -20.197 -2.175 1.00 42.52 H new ATOM 0 HB2 GLU A 30 14.453 -21.870 -1.938 1.00 55.13 H new ATOM 0 HB3 GLU A 30 15.269 -20.641 -2.885 1.00 55.13 H new ATOM 0 HG2 GLU A 30 15.099 -19.028 -1.210 1.00 72.34 H new ATOM 0 HG3 GLU A 30 13.703 -19.784 -0.468 1.00 72.34 H new ATOM 464 N GLY A 31 13.565 -19.653 -5.149 1.00 61.33 N ATOM 465 CA GLY A 31 13.777 -18.627 -6.153 1.00 41.01 C ATOM 466 C GLY A 31 12.553 -17.757 -6.360 1.00 4.53 C ATOM 467 O GLY A 31 12.644 -16.669 -6.930 1.00 5.04 O ATOM 0 H GLY A 31 13.610 -20.610 -5.498 1.00 61.33 H new ATOM 0 HA2 GLY A 31 14.618 -18.001 -5.856 1.00 41.01 H new ATOM 0 HA3 GLY A 31 14.048 -19.098 -7.098 1.00 41.01 H new ATOM 471 N LYS A 32 11.404 -18.236 -5.897 1.00 13.50 N ATOM 472 CA LYS A 32 10.155 -17.495 -6.034 1.00 3.34 C ATOM 473 C LYS A 32 10.085 -16.355 -5.022 1.00 23.20 C ATOM 474 O LYS A 32 9.504 -15.305 -5.294 1.00 11.52 O ATOM 475 CB LYS A 32 8.959 -18.431 -5.847 1.00 25.25 C ATOM 476 CG LYS A 32 7.621 -17.775 -6.140 1.00 64.23 C ATOM 477 CD LYS A 32 6.480 -18.775 -6.060 1.00 24.44 C ATOM 478 CE LYS A 32 5.127 -18.081 -6.092 1.00 24.23 C ATOM 479 NZ LYS A 32 4.046 -18.949 -5.548 1.00 11.42 N ATOM 0 H LYS A 32 11.311 -19.135 -5.423 1.00 13.50 H new ATOM 0 HA LYS A 32 10.122 -17.070 -7.037 1.00 3.34 H new ATOM 0 HB2 LYS A 32 9.080 -19.296 -6.499 1.00 25.25 H new ATOM 0 HB3 LYS A 32 8.956 -18.802 -4.822 1.00 25.25 H new ATOM 0 HG2 LYS A 32 7.448 -16.967 -5.430 1.00 64.23 H new ATOM 0 HG3 LYS A 32 7.644 -17.327 -7.133 1.00 64.23 H new ATOM 0 HD2 LYS A 32 6.550 -19.476 -6.892 1.00 24.44 H new ATOM 0 HD3 LYS A 32 6.569 -19.358 -5.143 1.00 24.44 H new ATOM 0 HE2 LYS A 32 5.178 -17.159 -5.513 1.00 24.23 H new ATOM 0 HE3 LYS A 32 4.887 -17.801 -7.118 1.00 24.23 H new ATOM 0 HZ1 LYS A 32 3.140 -18.440 -5.587 1.00 11.42 H new ATOM 0 HZ2 LYS A 32 3.980 -19.818 -6.115 1.00 11.42 H new ATOM 0 HZ3 LYS A 32 4.262 -19.196 -4.561 1.00 11.42 H new ATOM 493 N LYS A 33 10.682 -16.569 -3.854 1.00 64.24 N ATOM 494 CA LYS A 33 10.691 -15.560 -2.802 1.00 53.34 C ATOM 495 C LYS A 33 11.187 -14.220 -3.337 1.00 65.44 C ATOM 496 O LYS A 33 10.691 -13.162 -2.949 1.00 73.30 O ATOM 497 CB LYS A 33 11.573 -16.015 -1.638 1.00 10.44 C ATOM 498 CG LYS A 33 10.816 -16.772 -0.561 1.00 32.51 C ATOM 499 CD LYS A 33 11.752 -17.608 0.296 1.00 70.22 C ATOM 500 CE LYS A 33 12.451 -16.760 1.348 1.00 72.43 C ATOM 501 NZ LYS A 33 11.574 -16.502 2.523 1.00 3.25 N ATOM 0 H LYS A 33 11.166 -17.434 -3.612 1.00 64.24 H new ATOM 0 HA LYS A 33 9.668 -15.433 -2.446 1.00 53.34 H new ATOM 0 HB2 LYS A 33 12.371 -16.650 -2.024 1.00 10.44 H new ATOM 0 HB3 LYS A 33 12.049 -15.142 -1.191 1.00 10.44 H new ATOM 0 HG2 LYS A 33 10.277 -16.066 0.070 1.00 32.51 H new ATOM 0 HG3 LYS A 33 10.071 -17.419 -1.025 1.00 32.51 H new ATOM 0 HD2 LYS A 33 11.188 -18.403 0.784 1.00 70.22 H new ATOM 0 HD3 LYS A 33 12.496 -18.089 -0.339 1.00 70.22 H new ATOM 0 HE2 LYS A 33 13.360 -17.265 1.677 1.00 72.43 H new ATOM 0 HE3 LYS A 33 12.755 -15.811 0.906 1.00 72.43 H new ATOM 0 HZ1 LYS A 33 12.086 -15.921 3.217 1.00 3.25 H new ATOM 0 HZ2 LYS A 33 10.718 -15.998 2.214 1.00 3.25 H new ATOM 0 HZ3 LYS A 33 11.304 -17.406 2.960 1.00 3.25 H new ATOM 515 N LEU A 34 12.169 -14.273 -4.231 1.00 52.01 N ATOM 516 CA LEU A 34 12.732 -13.063 -4.821 1.00 71.42 C ATOM 517 C LEU A 34 12.779 -13.170 -6.342 1.00 73.30 C ATOM 518 O LEU A 34 13.575 -12.499 -6.997 1.00 73.25 O ATOM 519 CB LEU A 34 14.138 -12.811 -4.273 1.00 35.53 C ATOM 520 CG LEU A 34 14.214 -12.087 -2.928 1.00 74.12 C ATOM 521 CD1 LEU A 34 13.550 -10.722 -3.019 1.00 45.54 C ATOM 522 CD2 LEU A 34 13.567 -12.924 -1.834 1.00 71.12 C ATOM 0 H LEU A 34 12.591 -15.140 -4.563 1.00 52.01 H new ATOM 0 HA LEU A 34 12.089 -12.225 -4.553 1.00 71.42 H new ATOM 0 HB2 LEU A 34 14.646 -13.771 -4.176 1.00 35.53 H new ATOM 0 HB3 LEU A 34 14.694 -12.229 -5.008 1.00 35.53 H new ATOM 0 HG LEU A 34 15.264 -11.942 -2.674 1.00 74.12 H new ATOM 0 HD11 LEU A 34 13.614 -10.221 -2.053 1.00 45.54 H new ATOM 0 HD12 LEU A 34 14.057 -10.120 -3.774 1.00 45.54 H new ATOM 0 HD13 LEU A 34 12.503 -10.844 -3.296 1.00 45.54 H new ATOM 0 HD21 LEU A 34 13.630 -12.393 -0.884 1.00 71.12 H new ATOM 0 HD22 LEU A 34 12.520 -13.100 -2.082 1.00 71.12 H new ATOM 0 HD23 LEU A 34 14.086 -13.879 -1.751 1.00 71.12 H new ATOM 534 N GLY A 35 11.918 -14.018 -6.898 1.00 10.05 N ATOM 535 CA GLY A 35 11.876 -14.196 -8.337 1.00 41.42 C ATOM 536 C GLY A 35 10.504 -14.611 -8.830 1.00 64.15 C ATOM 537 O GLY A 35 10.287 -15.773 -9.178 1.00 51.44 O ATOM 0 H GLY A 35 11.249 -14.585 -6.377 1.00 10.05 H new ATOM 0 HA2 GLY A 35 12.167 -13.265 -8.824 1.00 41.42 H new ATOM 0 HA3 GLY A 35 12.607 -14.950 -8.628 1.00 41.42 H new ATOM 541 N LEU A 36 9.575 -13.662 -8.860 1.00 5.13 N ATOM 542 CA LEU A 36 8.216 -13.936 -9.313 1.00 10.54 C ATOM 543 C LEU A 36 8.224 -14.620 -10.676 1.00 35.35 C ATOM 544 O LEU A 36 7.330 -15.405 -10.993 1.00 35.02 O ATOM 545 CB LEU A 36 7.411 -12.637 -9.386 1.00 52.01 C ATOM 546 CG LEU A 36 5.912 -12.760 -9.112 1.00 34.33 C ATOM 547 CD1 LEU A 36 5.632 -12.657 -7.621 1.00 14.35 C ATOM 548 CD2 LEU A 36 5.140 -11.695 -9.876 1.00 40.24 C ATOM 0 H LEU A 36 9.738 -12.696 -8.576 1.00 5.13 H new ATOM 0 HA LEU A 36 7.747 -14.607 -8.593 1.00 10.54 H new ATOM 0 HB2 LEU A 36 7.834 -11.930 -8.672 1.00 52.01 H new ATOM 0 HB3 LEU A 36 7.544 -12.206 -10.378 1.00 52.01 H new ATOM 0 HG LEU A 36 5.579 -13.739 -9.457 1.00 34.33 H new ATOM 0 HD11 LEU A 36 4.560 -12.747 -7.445 1.00 14.35 H new ATOM 0 HD12 LEU A 36 6.154 -13.457 -7.097 1.00 14.35 H new ATOM 0 HD13 LEU A 36 5.981 -11.693 -7.251 1.00 14.35 H new ATOM 0 HD21 LEU A 36 4.075 -11.798 -9.668 1.00 40.24 H new ATOM 0 HD22 LEU A 36 5.476 -10.707 -9.563 1.00 40.24 H new ATOM 0 HD23 LEU A 36 5.315 -11.816 -10.945 1.00 40.24 H new ATOM 560 N VAL A 37 9.240 -14.320 -11.478 1.00 0.34 N ATOM 561 CA VAL A 37 9.366 -14.909 -12.805 1.00 43.34 C ATOM 562 C VAL A 37 10.830 -15.117 -13.177 1.00 40.13 C ATOM 563 O VAL A 37 11.714 -14.427 -12.671 1.00 62.32 O ATOM 564 CB VAL A 37 8.696 -14.027 -13.876 1.00 63.43 C ATOM 565 CG1 VAL A 37 7.182 -14.087 -13.746 1.00 0.51 C ATOM 566 CG2 VAL A 37 9.193 -12.593 -13.773 1.00 20.34 C ATOM 0 H VAL A 37 9.988 -13.672 -11.232 1.00 0.34 H new ATOM 0 HA VAL A 37 8.862 -15.875 -12.772 1.00 43.34 H new ATOM 0 HB VAL A 37 8.967 -14.411 -14.860 1.00 63.43 H new ATOM 0 HG11 VAL A 37 6.726 -13.458 -14.511 1.00 0.51 H new ATOM 0 HG12 VAL A 37 6.846 -15.116 -13.875 1.00 0.51 H new ATOM 0 HG13 VAL A 37 6.887 -13.730 -12.759 1.00 0.51 H new ATOM 0 HG21 VAL A 37 8.709 -11.984 -14.537 1.00 20.34 H new ATOM 0 HG22 VAL A 37 8.954 -12.195 -12.787 1.00 20.34 H new ATOM 0 HG23 VAL A 37 10.273 -12.571 -13.921 1.00 20.34 H new ATOM 576 N GLY A 38 11.079 -16.074 -14.067 1.00 11.44 N ATOM 577 CA GLY A 38 12.437 -16.356 -14.492 1.00 43.10 C ATOM 578 C GLY A 38 12.691 -17.839 -14.677 1.00 54.10 C ATOM 579 O GLY A 38 11.908 -18.671 -14.218 1.00 51.21 O ATOM 0 H GLY A 38 10.364 -16.658 -14.501 1.00 11.44 H new ATOM 0 HA2 GLY A 38 12.636 -15.837 -15.429 1.00 43.10 H new ATOM 0 HA3 GLY A 38 13.135 -15.960 -13.754 1.00 43.10 H new ATOM 583 N TRP A 39 13.785 -18.170 -15.352 1.00 22.51 N ATOM 584 CA TRP A 39 14.138 -19.564 -15.598 1.00 63.10 C ATOM 585 C TRP A 39 15.632 -19.792 -15.392 1.00 53.22 C ATOM 586 O TRP A 39 16.439 -18.878 -15.566 1.00 73.51 O ATOM 587 CB TRP A 39 13.739 -19.970 -17.018 1.00 12.33 C ATOM 588 CG TRP A 39 14.327 -19.086 -18.076 1.00 10.13 C ATOM 589 CD1 TRP A 39 15.651 -18.932 -18.372 1.00 2.33 C ATOM 590 CD2 TRP A 39 13.611 -18.234 -18.976 1.00 14.42 C ATOM 591 NE1 TRP A 39 15.801 -18.035 -19.402 1.00 3.32 N ATOM 592 CE2 TRP A 39 14.564 -17.593 -19.791 1.00 4.24 C ATOM 593 CE3 TRP A 39 12.257 -17.951 -19.174 1.00 54.13 C ATOM 594 CZ2 TRP A 39 14.205 -16.687 -20.785 1.00 62.23 C ATOM 595 CZ3 TRP A 39 11.902 -17.052 -20.162 1.00 13.43 C ATOM 596 CH2 TRP A 39 12.872 -16.429 -20.958 1.00 24.04 C ATOM 0 H TRP A 39 14.443 -17.493 -15.739 1.00 22.51 H new ATOM 0 HA TRP A 39 13.593 -20.182 -14.884 1.00 63.10 H new ATOM 0 HB2 TRP A 39 14.055 -20.998 -17.197 1.00 12.33 H new ATOM 0 HB3 TRP A 39 12.652 -19.951 -17.102 1.00 12.33 H new ATOM 0 HD1 TRP A 39 16.461 -19.440 -17.870 1.00 2.33 H new ATOM 0 HE1 TRP A 39 16.689 -17.745 -19.811 1.00 3.32 H new ATOM 0 HE3 TRP A 39 11.501 -18.426 -18.566 1.00 54.13 H new ATOM 0 HZ2 TRP A 39 14.952 -16.205 -21.398 1.00 62.23 H new ATOM 0 HZ3 TRP A 39 10.858 -16.826 -20.323 1.00 13.43 H new ATOM 0 HH2 TRP A 39 12.562 -15.732 -21.723 1.00 24.04 H new ATOM 607 N VAL A 40 15.994 -21.016 -15.021 1.00 11.20 N ATOM 608 CA VAL A 40 17.391 -21.363 -14.793 1.00 23.41 C ATOM 609 C VAL A 40 17.960 -22.154 -15.966 1.00 53.53 C ATOM 610 O VAL A 40 17.358 -23.126 -16.421 1.00 24.32 O ATOM 611 CB VAL A 40 17.561 -22.188 -13.503 1.00 3.42 C ATOM 612 CG1 VAL A 40 19.036 -22.376 -13.180 1.00 33.22 C ATOM 613 CG2 VAL A 40 16.835 -21.520 -12.345 1.00 75.21 C ATOM 0 H VAL A 40 15.339 -21.784 -14.872 1.00 11.20 H new ATOM 0 HA VAL A 40 17.937 -20.425 -14.691 1.00 23.41 H new ATOM 0 HB VAL A 40 17.120 -23.172 -13.660 1.00 3.42 H new ATOM 0 HG11 VAL A 40 19.137 -22.961 -12.266 1.00 33.22 H new ATOM 0 HG12 VAL A 40 19.524 -22.900 -14.002 1.00 33.22 H new ATOM 0 HG13 VAL A 40 19.505 -21.402 -13.041 1.00 33.22 H new ATOM 0 HG21 VAL A 40 16.965 -22.116 -11.442 1.00 75.21 H new ATOM 0 HG22 VAL A 40 17.246 -20.523 -12.185 1.00 75.21 H new ATOM 0 HG23 VAL A 40 15.773 -21.442 -12.578 1.00 75.21 H new ATOM 623 N GLN A 41 19.122 -21.728 -16.451 1.00 72.43 N ATOM 624 CA GLN A 41 19.771 -22.397 -17.573 1.00 4.23 C ATOM 625 C GLN A 41 21.092 -23.026 -17.141 1.00 12.14 C ATOM 626 O GLN A 41 21.725 -22.572 -16.188 1.00 54.35 O ATOM 627 CB GLN A 41 20.014 -21.406 -18.713 1.00 72.51 C ATOM 628 CG GLN A 41 19.925 -22.035 -20.094 1.00 61.51 C ATOM 629 CD GLN A 41 20.653 -21.228 -21.151 1.00 31.21 C ATOM 630 OE1 GLN A 41 20.109 -20.270 -21.701 1.00 32.21 O ATOM 631 NE2 GLN A 41 21.891 -21.611 -21.441 1.00 32.42 N ATOM 0 H GLN A 41 19.633 -20.924 -16.086 1.00 72.43 H new ATOM 0 HA GLN A 41 19.109 -23.189 -17.924 1.00 4.23 H new ATOM 0 HB2 GLN A 41 19.285 -20.598 -18.643 1.00 72.51 H new ATOM 0 HB3 GLN A 41 21.000 -20.958 -18.590 1.00 72.51 H new ATOM 0 HG2 GLN A 41 20.343 -23.041 -20.058 1.00 61.51 H new ATOM 0 HG3 GLN A 41 18.877 -22.135 -20.377 1.00 61.51 H new ATOM 0 HE21 GLN A 41 22.303 -22.411 -20.961 1.00 32.42 H new ATOM 0 HE22 GLN A 41 22.430 -21.105 -22.144 1.00 32.42 H new ATOM 640 N ASN A 42 21.501 -24.075 -17.847 1.00 42.53 N ATOM 641 CA ASN A 42 22.746 -24.767 -17.536 1.00 4.01 C ATOM 642 C ASN A 42 23.595 -24.951 -18.790 1.00 41.33 C ATOM 643 O ASN A 42 23.201 -25.651 -19.723 1.00 63.44 O ATOM 644 CB ASN A 42 22.452 -26.128 -16.902 1.00 5.15 C ATOM 645 CG ASN A 42 23.689 -26.762 -16.295 1.00 22.21 C ATOM 646 OD1 ASN A 42 24.811 -26.501 -16.729 1.00 1.50 O ATOM 647 ND2 ASN A 42 23.489 -27.602 -15.286 1.00 11.34 N ATOM 0 H ASN A 42 20.988 -24.464 -18.638 1.00 42.53 H new ATOM 0 HA ASN A 42 23.305 -24.156 -16.827 1.00 4.01 H new ATOM 0 HB2 ASN A 42 21.692 -26.010 -16.130 1.00 5.15 H new ATOM 0 HB3 ASN A 42 22.038 -26.796 -17.657 1.00 5.15 H new ATOM 0 HD21 ASN A 42 24.283 -28.060 -14.839 1.00 11.34 H new ATOM 0 HD22 ASN A 42 22.541 -27.789 -14.958 1.00 11.34 H new ATOM 654 N THR A 43 24.764 -24.317 -18.806 1.00 15.31 N ATOM 655 CA THR A 43 25.668 -24.409 -19.945 1.00 21.12 C ATOM 656 C THR A 43 26.383 -25.755 -19.972 1.00 35.53 C ATOM 657 O THR A 43 26.453 -26.452 -18.959 1.00 11.11 O ATOM 658 CB THR A 43 26.719 -23.283 -19.920 1.00 63.52 C ATOM 659 OG1 THR A 43 27.687 -23.539 -18.896 1.00 14.23 O ATOM 660 CG2 THR A 43 26.061 -21.934 -19.678 1.00 40.41 C ATOM 0 H THR A 43 25.106 -23.734 -18.042 1.00 15.31 H new ATOM 0 HA THR A 43 25.058 -24.307 -20.842 1.00 21.12 H new ATOM 0 HB THR A 43 27.216 -23.258 -20.890 1.00 63.52 H new ATOM 0 HG1 THR A 43 27.234 -23.625 -18.031 1.00 14.23 H new ATOM 0 HG21 THR A 43 26.823 -21.155 -19.664 1.00 40.41 H new ATOM 0 HG22 THR A 43 25.347 -21.729 -20.475 1.00 40.41 H new ATOM 0 HG23 THR A 43 25.541 -21.949 -18.720 1.00 40.41 H new ATOM 668 N ASP A 44 26.912 -26.116 -21.136 1.00 35.04 N ATOM 669 CA ASP A 44 27.623 -27.379 -21.294 1.00 32.33 C ATOM 670 C ASP A 44 29.006 -27.308 -20.655 1.00 3.40 C ATOM 671 O ASP A 44 29.559 -28.323 -20.232 1.00 33.12 O ATOM 672 CB ASP A 44 27.749 -27.736 -22.776 1.00 5.23 C ATOM 673 CG ASP A 44 28.367 -29.104 -22.991 1.00 51.54 C ATOM 674 OD1 ASP A 44 27.755 -30.105 -22.565 1.00 34.21 O ATOM 675 OD2 ASP A 44 29.462 -29.172 -23.587 1.00 71.44 O ATOM 0 H ASP A 44 26.862 -25.552 -21.984 1.00 35.04 H new ATOM 0 HA ASP A 44 27.049 -28.156 -20.789 1.00 32.33 H new ATOM 0 HB2 ASP A 44 26.762 -27.709 -23.238 1.00 5.23 H new ATOM 0 HB3 ASP A 44 28.357 -26.983 -23.278 1.00 5.23 H new ATOM 680 N ARG A 45 29.561 -26.101 -20.590 1.00 34.51 N ATOM 681 CA ARG A 45 30.880 -25.898 -20.005 1.00 44.21 C ATOM 682 C ARG A 45 30.915 -26.383 -18.559 1.00 11.44 C ATOM 683 O ARG A 45 31.927 -26.902 -18.091 1.00 64.13 O ATOM 684 CB ARG A 45 31.267 -24.419 -20.068 1.00 12.12 C ATOM 685 CG ARG A 45 32.767 -24.184 -20.133 1.00 50.41 C ATOM 686 CD ARG A 45 33.100 -22.700 -20.113 1.00 14.14 C ATOM 687 NE ARG A 45 34.532 -22.462 -19.954 1.00 33.15 N ATOM 688 CZ ARG A 45 35.177 -22.608 -18.802 1.00 4.12 C ATOM 689 NH1 ARG A 45 34.522 -22.989 -17.714 1.00 60.12 N ATOM 690 NH2 ARG A 45 36.482 -22.373 -18.737 1.00 13.23 N ATOM 0 H ARG A 45 29.117 -25.250 -20.935 1.00 34.51 H new ATOM 0 HA ARG A 45 31.599 -26.480 -20.582 1.00 44.21 H new ATOM 0 HB2 ARG A 45 30.799 -23.967 -20.942 1.00 12.12 H new ATOM 0 HB3 ARG A 45 30.866 -23.910 -19.192 1.00 12.12 H new ATOM 0 HG2 ARG A 45 33.251 -24.678 -19.290 1.00 50.41 H new ATOM 0 HG3 ARG A 45 33.168 -24.636 -21.040 1.00 50.41 H new ATOM 0 HD2 ARG A 45 32.757 -22.239 -21.039 1.00 14.14 H new ATOM 0 HD3 ARG A 45 32.560 -22.218 -19.298 1.00 14.14 H new ATOM 0 HE ARG A 45 35.066 -22.168 -20.772 1.00 33.15 H new ATOM 0 HH11 ARG A 45 33.519 -23.171 -17.760 1.00 60.12 H new ATOM 0 HH12 ARG A 45 35.021 -23.100 -16.831 1.00 60.12 H new ATOM 0 HH21 ARG A 45 36.990 -22.080 -19.572 1.00 13.23 H new ATOM 0 HH22 ARG A 45 36.977 -22.485 -17.852 1.00 13.23 H new ATOM 704 N GLY A 46 29.801 -26.208 -17.854 1.00 75.15 N ATOM 705 CA GLY A 46 29.725 -26.632 -16.469 1.00 33.23 C ATOM 706 C GLY A 46 29.046 -25.605 -15.584 1.00 74.34 C ATOM 707 O GLY A 46 28.521 -25.939 -14.522 1.00 34.14 O ATOM 0 H GLY A 46 28.950 -25.780 -18.218 1.00 75.15 H new ATOM 0 HA2 GLY A 46 29.180 -27.574 -16.410 1.00 33.23 H new ATOM 0 HA3 GLY A 46 30.731 -26.821 -16.095 1.00 33.23 H new ATOM 711 N THR A 47 29.056 -24.350 -16.022 1.00 42.11 N ATOM 712 CA THR A 47 28.439 -23.270 -15.262 1.00 25.21 C ATOM 713 C THR A 47 26.931 -23.236 -15.481 1.00 3.44 C ATOM 714 O THR A 47 26.447 -23.505 -16.580 1.00 12.31 O ATOM 715 CB THR A 47 29.034 -21.902 -15.646 1.00 20.12 C ATOM 716 OG1 THR A 47 29.410 -21.902 -17.027 1.00 45.34 O ATOM 717 CG2 THR A 47 30.245 -21.578 -14.785 1.00 4.42 C ATOM 0 H THR A 47 29.485 -24.056 -16.900 1.00 42.11 H new ATOM 0 HA THR A 47 28.646 -23.465 -14.210 1.00 25.21 H new ATOM 0 HB THR A 47 28.274 -21.139 -15.477 1.00 20.12 H new ATOM 0 HG1 THR A 47 28.735 -22.384 -17.550 1.00 45.34 H new ATOM 0 HG21 THR A 47 30.648 -20.607 -15.074 1.00 4.42 H new ATOM 0 HG22 THR A 47 29.949 -21.550 -13.736 1.00 4.42 H new ATOM 0 HG23 THR A 47 31.007 -22.344 -14.926 1.00 4.42 H new ATOM 725 N VAL A 48 26.193 -22.902 -14.427 1.00 53.30 N ATOM 726 CA VAL A 48 24.738 -22.830 -14.505 1.00 5.04 C ATOM 727 C VAL A 48 24.258 -21.383 -14.495 1.00 24.00 C ATOM 728 O VAL A 48 24.178 -20.753 -13.441 1.00 21.12 O ATOM 729 CB VAL A 48 24.076 -23.587 -13.338 1.00 41.11 C ATOM 730 CG1 VAL A 48 22.561 -23.554 -13.472 1.00 3.14 C ATOM 731 CG2 VAL A 48 24.583 -25.020 -13.277 1.00 41.13 C ATOM 0 H VAL A 48 26.578 -22.677 -13.510 1.00 53.30 H new ATOM 0 HA VAL A 48 24.447 -23.299 -15.445 1.00 5.04 H new ATOM 0 HB VAL A 48 24.346 -23.091 -12.406 1.00 41.11 H new ATOM 0 HG11 VAL A 48 22.110 -24.094 -12.639 1.00 3.14 H new ATOM 0 HG12 VAL A 48 22.217 -22.520 -13.463 1.00 3.14 H new ATOM 0 HG13 VAL A 48 22.268 -24.025 -14.410 1.00 3.14 H new ATOM 0 HG21 VAL A 48 24.105 -25.540 -12.447 1.00 41.13 H new ATOM 0 HG22 VAL A 48 24.345 -25.530 -14.210 1.00 41.13 H new ATOM 0 HG23 VAL A 48 25.663 -25.018 -13.130 1.00 41.13 H new ATOM 741 N GLN A 49 23.940 -20.863 -15.676 1.00 20.10 N ATOM 742 CA GLN A 49 23.468 -19.489 -15.803 1.00 73.50 C ATOM 743 C GLN A 49 21.990 -19.386 -15.441 1.00 73.42 C ATOM 744 O GLN A 49 21.125 -19.855 -16.180 1.00 42.04 O ATOM 745 CB GLN A 49 23.693 -18.980 -17.228 1.00 32.13 C ATOM 746 CG GLN A 49 25.160 -18.870 -17.610 1.00 21.42 C ATOM 747 CD GLN A 49 25.417 -17.783 -18.635 1.00 35.41 C ATOM 748 OE1 GLN A 49 25.064 -16.622 -18.427 1.00 30.12 O ATOM 749 NE2 GLN A 49 26.034 -18.155 -19.750 1.00 73.04 N ATOM 0 H GLN A 49 24.000 -21.372 -16.558 1.00 20.10 H new ATOM 0 HA GLN A 49 24.037 -18.870 -15.110 1.00 73.50 H new ATOM 0 HB2 GLN A 49 23.193 -19.650 -17.927 1.00 32.13 H new ATOM 0 HB3 GLN A 49 23.224 -18.002 -17.334 1.00 32.13 H new ATOM 0 HG2 GLN A 49 25.750 -18.668 -16.716 1.00 21.42 H new ATOM 0 HG3 GLN A 49 25.501 -19.826 -18.007 1.00 21.42 H new ATOM 0 HE21 GLN A 49 26.309 -19.129 -19.880 1.00 73.04 H new ATOM 0 HE22 GLN A 49 26.233 -17.467 -20.476 1.00 73.04 H new ATOM 758 N GLY A 50 21.707 -18.770 -14.298 1.00 12.44 N ATOM 759 CA GLY A 50 20.332 -18.617 -13.857 1.00 45.24 C ATOM 760 C GLY A 50 19.782 -17.234 -14.145 1.00 30.12 C ATOM 761 O GLY A 50 20.485 -16.236 -13.992 1.00 42.21 O ATOM 0 H GLY A 50 22.405 -18.374 -13.669 1.00 12.44 H new ATOM 0 HA2 GLY A 50 19.710 -19.363 -14.352 1.00 45.24 H new ATOM 0 HA3 GLY A 50 20.273 -18.813 -12.786 1.00 45.24 H new ATOM 765 N GLN A 51 18.522 -17.176 -14.564 1.00 11.24 N ATOM 766 CA GLN A 51 17.879 -15.905 -14.875 1.00 41.34 C ATOM 767 C GLN A 51 16.926 -15.488 -13.760 1.00 23.44 C ATOM 768 O GLN A 51 16.298 -16.332 -13.119 1.00 12.24 O ATOM 769 CB GLN A 51 17.120 -16.004 -16.200 1.00 21.23 C ATOM 770 CG GLN A 51 17.020 -14.683 -16.945 1.00 5.24 C ATOM 771 CD GLN A 51 16.819 -14.867 -18.436 1.00 25.22 C ATOM 772 OE1 GLN A 51 15.697 -15.059 -18.904 1.00 33.25 O ATOM 773 NE2 GLN A 51 17.910 -14.810 -19.192 1.00 14.40 N ATOM 0 H GLN A 51 17.927 -17.994 -14.696 1.00 11.24 H new ATOM 0 HA GLN A 51 18.657 -15.147 -14.965 1.00 41.34 H new ATOM 0 HB2 GLN A 51 17.615 -16.735 -16.839 1.00 21.23 H new ATOM 0 HB3 GLN A 51 16.115 -16.379 -16.006 1.00 21.23 H new ATOM 0 HG2 GLN A 51 16.191 -14.104 -16.539 1.00 5.24 H new ATOM 0 HG3 GLN A 51 17.927 -14.104 -16.773 1.00 5.24 H new ATOM 0 HE21 GLN A 51 18.821 -14.649 -18.762 1.00 14.40 H new ATOM 0 HE22 GLN A 51 17.837 -14.927 -20.203 1.00 14.40 H new ATOM 782 N LEU A 52 16.824 -14.184 -13.532 1.00 52.42 N ATOM 783 CA LEU A 52 15.947 -13.655 -12.493 1.00 3.31 C ATOM 784 C LEU A 52 15.485 -12.242 -12.837 1.00 63.31 C ATOM 785 O LEU A 52 16.269 -11.422 -13.314 1.00 62.33 O ATOM 786 CB LEU A 52 16.667 -13.653 -11.143 1.00 70.51 C ATOM 787 CG LEU A 52 16.029 -12.804 -10.043 1.00 61.12 C ATOM 788 CD1 LEU A 52 14.664 -13.357 -9.666 1.00 55.11 C ATOM 789 CD2 LEU A 52 16.937 -12.742 -8.823 1.00 72.04 C ATOM 0 H LEU A 52 17.338 -13.473 -14.052 1.00 52.42 H new ATOM 0 HA LEU A 52 15.070 -14.299 -12.430 1.00 3.31 H new ATOM 0 HB2 LEU A 52 16.734 -14.681 -10.788 1.00 70.51 H new ATOM 0 HB3 LEU A 52 17.687 -13.303 -11.299 1.00 70.51 H new ATOM 0 HG LEU A 52 15.895 -11.791 -10.424 1.00 61.12 H new ATOM 0 HD11 LEU A 52 14.225 -12.740 -8.882 1.00 55.11 H new ATOM 0 HD12 LEU A 52 14.014 -13.349 -10.541 1.00 55.11 H new ATOM 0 HD13 LEU A 52 14.773 -14.380 -9.305 1.00 55.11 H new ATOM 0 HD21 LEU A 52 16.467 -12.134 -8.050 1.00 72.04 H new ATOM 0 HD22 LEU A 52 17.103 -13.749 -8.441 1.00 72.04 H new ATOM 0 HD23 LEU A 52 17.893 -12.298 -9.103 1.00 72.04 H new ATOM 801 N GLN A 53 14.209 -11.966 -12.589 1.00 41.24 N ATOM 802 CA GLN A 53 13.644 -10.652 -12.872 1.00 11.31 C ATOM 803 C GLN A 53 12.997 -10.058 -11.625 1.00 52.01 C ATOM 804 O GLN A 53 12.376 -10.770 -10.837 1.00 13.31 O ATOM 805 CB GLN A 53 12.614 -10.748 -13.999 1.00 1.31 C ATOM 806 CG GLN A 53 13.209 -10.555 -15.385 1.00 11.14 C ATOM 807 CD GLN A 53 14.054 -11.734 -15.826 1.00 53.32 C ATOM 808 OE1 GLN A 53 13.983 -12.816 -15.243 1.00 42.11 O ATOM 809 NE2 GLN A 53 14.859 -11.530 -16.862 1.00 62.00 N ATOM 0 H GLN A 53 13.547 -12.634 -12.193 1.00 41.24 H new ATOM 0 HA GLN A 53 14.455 -9.995 -13.186 1.00 11.31 H new ATOM 0 HB2 GLN A 53 12.128 -11.723 -13.954 1.00 1.31 H new ATOM 0 HB3 GLN A 53 11.840 -9.998 -13.837 1.00 1.31 H new ATOM 0 HG2 GLN A 53 12.404 -10.401 -16.104 1.00 11.14 H new ATOM 0 HG3 GLN A 53 13.820 -9.652 -15.392 1.00 11.14 H new ATOM 0 HE21 GLN A 53 14.886 -10.617 -17.315 1.00 62.00 H new ATOM 0 HE22 GLN A 53 15.451 -12.287 -17.205 1.00 62.00 H new ATOM 818 N GLY A 54 13.147 -8.748 -11.453 1.00 23.14 N ATOM 819 CA GLY A 54 12.572 -8.081 -10.299 1.00 44.12 C ATOM 820 C GLY A 54 13.240 -6.752 -10.006 1.00 55.31 C ATOM 821 O GLY A 54 14.173 -6.336 -10.693 1.00 60.51 O ATOM 0 H GLY A 54 13.656 -8.137 -12.092 1.00 23.14 H new ATOM 0 HA2 GLY A 54 11.508 -7.920 -10.469 1.00 44.12 H new ATOM 0 HA3 GLY A 54 12.661 -8.729 -9.427 1.00 44.12 H new ATOM 825 N PRO A 55 12.756 -6.059 -8.964 1.00 31.50 N ATOM 826 CA PRO A 55 13.296 -4.759 -8.559 1.00 2.55 C ATOM 827 C PRO A 55 14.694 -4.872 -7.960 1.00 20.52 C ATOM 828 O PRO A 55 15.046 -5.896 -7.373 1.00 65.35 O ATOM 829 CB PRO A 55 12.300 -4.274 -7.502 1.00 71.32 C ATOM 830 CG PRO A 55 11.691 -5.520 -6.956 1.00 43.33 C ATOM 831 CD PRO A 55 11.645 -6.494 -8.101 1.00 13.11 C ATOM 0 HA PRO A 55 13.404 -4.082 -9.406 1.00 2.55 H new ATOM 0 HB2 PRO A 55 12.800 -3.702 -6.720 1.00 71.32 H new ATOM 0 HB3 PRO A 55 11.544 -3.623 -7.940 1.00 71.32 H new ATOM 0 HG2 PRO A 55 12.284 -5.915 -6.131 1.00 43.33 H new ATOM 0 HG3 PRO A 55 10.691 -5.328 -6.567 1.00 43.33 H new ATOM 0 HD2 PRO A 55 11.779 -7.521 -7.761 1.00 13.11 H new ATOM 0 HD3 PRO A 55 10.690 -6.454 -8.625 1.00 13.11 H new ATOM 839 N ILE A 56 15.485 -3.816 -8.111 1.00 2.22 N ATOM 840 CA ILE A 56 16.844 -3.798 -7.583 1.00 51.22 C ATOM 841 C ILE A 56 16.860 -4.128 -6.095 1.00 30.14 C ATOM 842 O ILE A 56 17.796 -4.753 -5.597 1.00 64.31 O ATOM 843 CB ILE A 56 17.514 -2.428 -7.801 1.00 63.40 C ATOM 844 CG1 ILE A 56 18.967 -2.465 -7.322 1.00 31.40 C ATOM 845 CG2 ILE A 56 16.739 -1.338 -7.076 1.00 64.12 C ATOM 846 CD1 ILE A 56 19.763 -1.240 -7.712 1.00 1.33 C ATOM 0 H ILE A 56 15.209 -2.961 -8.595 1.00 2.22 H new ATOM 0 HA ILE A 56 17.404 -4.558 -8.127 1.00 51.22 H new ATOM 0 HB ILE A 56 17.508 -2.202 -8.867 1.00 63.40 H new ATOM 0 HG12 ILE A 56 18.981 -2.567 -6.237 1.00 31.40 H new ATOM 0 HG13 ILE A 56 19.454 -3.350 -7.732 1.00 31.40 H new ATOM 0 HG21 ILE A 56 17.225 -0.376 -7.240 1.00 64.12 H new ATOM 0 HG22 ILE A 56 15.720 -1.300 -7.460 1.00 64.12 H new ATOM 0 HG23 ILE A 56 16.717 -1.556 -6.008 1.00 64.12 H new ATOM 0 HD11 ILE A 56 20.783 -1.335 -7.340 1.00 1.33 H new ATOM 0 HD12 ILE A 56 19.780 -1.148 -8.798 1.00 1.33 H new ATOM 0 HD13 ILE A 56 19.300 -0.353 -7.280 1.00 1.33 H new ATOM 858 N SER A 57 15.816 -3.705 -5.389 1.00 31.31 N ATOM 859 CA SER A 57 15.710 -3.954 -3.956 1.00 65.40 C ATOM 860 C SER A 57 15.635 -5.451 -3.669 1.00 11.22 C ATOM 861 O SER A 57 16.021 -5.909 -2.593 1.00 62.34 O ATOM 862 CB SER A 57 14.478 -3.251 -3.384 1.00 42.10 C ATOM 863 OG SER A 57 14.432 -3.370 -1.973 1.00 4.54 O ATOM 0 H SER A 57 15.031 -3.188 -5.786 1.00 31.31 H new ATOM 0 HA SER A 57 16.603 -3.554 -3.476 1.00 65.40 H new ATOM 0 HB2 SER A 57 14.494 -2.197 -3.663 1.00 42.10 H new ATOM 0 HB3 SER A 57 13.576 -3.682 -3.818 1.00 42.10 H new ATOM 0 HG SER A 57 13.636 -2.911 -1.632 1.00 4.54 H new ATOM 869 N LYS A 58 15.134 -6.208 -4.639 1.00 21.42 N ATOM 870 CA LYS A 58 15.008 -7.654 -4.494 1.00 13.34 C ATOM 871 C LYS A 58 16.160 -8.373 -5.188 1.00 75.11 C ATOM 872 O LYS A 58 16.523 -9.489 -4.815 1.00 50.42 O ATOM 873 CB LYS A 58 13.673 -8.130 -5.071 1.00 32.14 C ATOM 874 CG LYS A 58 12.491 -7.893 -4.146 1.00 23.42 C ATOM 875 CD LYS A 58 11.251 -8.627 -4.627 1.00 53.13 C ATOM 876 CE LYS A 58 10.119 -8.531 -3.616 1.00 12.12 C ATOM 877 NZ LYS A 58 8.784 -8.659 -4.263 1.00 71.23 N ATOM 0 H LYS A 58 14.808 -5.844 -5.535 1.00 21.42 H new ATOM 0 HA LYS A 58 15.043 -7.892 -3.431 1.00 13.34 H new ATOM 0 HB2 LYS A 58 13.492 -7.618 -6.016 1.00 32.14 H new ATOM 0 HB3 LYS A 58 13.742 -9.195 -5.293 1.00 32.14 H new ATOM 0 HG2 LYS A 58 12.744 -8.225 -3.139 1.00 23.42 H new ATOM 0 HG3 LYS A 58 12.283 -6.825 -4.087 1.00 23.42 H new ATOM 0 HD2 LYS A 58 10.926 -8.209 -5.580 1.00 53.13 H new ATOM 0 HD3 LYS A 58 11.493 -9.675 -4.805 1.00 53.13 H new ATOM 0 HE2 LYS A 58 10.235 -9.313 -2.866 1.00 12.12 H new ATOM 0 HE3 LYS A 58 10.179 -7.576 -3.093 1.00 12.12 H new ATOM 0 HZ1 LYS A 58 8.040 -8.588 -3.540 1.00 71.23 H new ATOM 0 HZ2 LYS A 58 8.662 -7.898 -4.961 1.00 71.23 H new ATOM 0 HZ3 LYS A 58 8.716 -9.581 -4.740 1.00 71.23 H new ATOM 891 N VAL A 59 16.731 -7.727 -6.199 1.00 42.23 N ATOM 892 CA VAL A 59 17.844 -8.304 -6.944 1.00 52.02 C ATOM 893 C VAL A 59 19.125 -8.288 -6.118 1.00 61.32 C ATOM 894 O VAL A 59 19.994 -9.144 -6.285 1.00 71.52 O ATOM 895 CB VAL A 59 18.088 -7.548 -8.264 1.00 74.41 C ATOM 896 CG1 VAL A 59 19.268 -8.149 -9.013 1.00 13.40 C ATOM 897 CG2 VAL A 59 16.834 -7.565 -9.126 1.00 44.12 C ATOM 0 H VAL A 59 16.441 -6.804 -6.521 1.00 42.23 H new ATOM 0 HA VAL A 59 17.573 -9.335 -7.169 1.00 52.02 H new ATOM 0 HB VAL A 59 18.327 -6.511 -8.030 1.00 74.41 H new ATOM 0 HG11 VAL A 59 19.425 -7.602 -9.943 1.00 13.40 H new ATOM 0 HG12 VAL A 59 20.164 -8.081 -8.396 1.00 13.40 H new ATOM 0 HG13 VAL A 59 19.061 -9.195 -9.238 1.00 13.40 H new ATOM 0 HG21 VAL A 59 17.024 -7.027 -10.055 1.00 44.12 H new ATOM 0 HG22 VAL A 59 16.563 -8.596 -9.353 1.00 44.12 H new ATOM 0 HG23 VAL A 59 16.016 -7.085 -8.588 1.00 44.12 H new ATOM 907 N ARG A 60 19.236 -7.309 -5.226 1.00 74.32 N ATOM 908 CA ARG A 60 20.412 -7.182 -4.374 1.00 15.51 C ATOM 909 C ARG A 60 20.437 -8.279 -3.314 1.00 14.11 C ATOM 910 O ARG A 60 21.501 -8.662 -2.827 1.00 71.54 O ATOM 911 CB ARG A 60 20.433 -5.808 -3.702 1.00 5.44 C ATOM 912 CG ARG A 60 21.830 -5.329 -3.339 1.00 71.03 C ATOM 913 CD ARG A 60 22.558 -4.768 -4.551 1.00 2.15 C ATOM 914 NE ARG A 60 23.791 -4.080 -4.178 1.00 3.05 N ATOM 915 CZ ARG A 60 24.731 -3.732 -5.049 1.00 40.44 C ATOM 916 NH1 ARG A 60 24.579 -4.005 -6.338 1.00 12.12 N ATOM 917 NH2 ARG A 60 25.826 -3.108 -4.633 1.00 14.21 N ATOM 0 H ARG A 60 18.526 -6.592 -5.075 1.00 74.32 H new ATOM 0 HA ARG A 60 21.298 -7.287 -5.001 1.00 15.51 H new ATOM 0 HB2 ARG A 60 19.970 -5.080 -4.368 1.00 5.44 H new ATOM 0 HB3 ARG A 60 19.825 -5.845 -2.798 1.00 5.44 H new ATOM 0 HG2 ARG A 60 21.764 -4.563 -2.566 1.00 71.03 H new ATOM 0 HG3 ARG A 60 22.402 -6.157 -2.920 1.00 71.03 H new ATOM 0 HD2 ARG A 60 22.790 -5.578 -5.242 1.00 2.15 H new ATOM 0 HD3 ARG A 60 21.902 -4.076 -5.080 1.00 2.15 H new ATOM 0 HE ARG A 60 23.938 -3.854 -3.194 1.00 3.05 H new ATOM 0 HH11 ARG A 60 23.739 -4.483 -6.662 1.00 12.12 H new ATOM 0 HH12 ARG A 60 25.303 -3.737 -7.005 1.00 12.12 H new ATOM 0 HH21 ARG A 60 25.947 -2.895 -3.643 1.00 14.21 H new ATOM 0 HH22 ARG A 60 26.547 -2.841 -5.303 1.00 14.21 H new ATOM 931 N HIS A 61 19.257 -8.780 -2.960 1.00 43.21 N ATOM 932 CA HIS A 61 19.144 -9.833 -1.958 1.00 32.34 C ATOM 933 C HIS A 61 19.540 -11.185 -2.543 1.00 70.31 C ATOM 934 O HIS A 61 20.421 -11.866 -2.018 1.00 13.41 O ATOM 935 CB HIS A 61 17.716 -9.898 -1.415 1.00 30.13 C ATOM 936 CG HIS A 61 17.618 -10.531 -0.061 1.00 2.44 C ATOM 937 ND1 HIS A 61 18.548 -10.323 0.936 1.00 2.10 N ATOM 938 CD2 HIS A 61 16.692 -11.369 0.460 1.00 13.22 C ATOM 939 CE1 HIS A 61 18.199 -11.007 2.011 1.00 61.34 C ATOM 940 NE2 HIS A 61 17.076 -11.650 1.748 1.00 34.42 N ATOM 0 H HIS A 61 18.367 -8.473 -3.352 1.00 43.21 H new ATOM 0 HA HIS A 61 19.826 -9.597 -1.141 1.00 32.34 H new ATOM 0 HB2 HIS A 61 17.309 -8.888 -1.365 1.00 30.13 H new ATOM 0 HB3 HIS A 61 17.095 -10.458 -2.115 1.00 30.13 H new ATOM 0 HD2 HIS A 61 15.814 -11.747 -0.044 1.00 13.22 H new ATOM 0 HE1 HIS A 61 18.740 -11.035 2.945 1.00 61.34 H new ATOM 0 HE2 HIS A 61 16.575 -12.257 2.397 1.00 34.42 H new ATOM 948 N MET A 62 18.883 -11.568 -3.633 1.00 71.20 N ATOM 949 CA MET A 62 19.167 -12.839 -4.290 1.00 4.15 C ATOM 950 C MET A 62 20.659 -12.981 -4.577 1.00 11.45 C ATOM 951 O MET A 62 21.272 -13.992 -4.236 1.00 35.01 O ATOM 952 CB MET A 62 18.372 -12.954 -5.592 1.00 4.05 C ATOM 953 CG MET A 62 17.016 -13.619 -5.419 1.00 5.11 C ATOM 954 SD MET A 62 17.078 -15.401 -5.685 1.00 20.34 S ATOM 955 CE MET A 62 16.018 -15.978 -4.361 1.00 1.21 C ATOM 0 H MET A 62 18.150 -11.017 -4.080 1.00 71.20 H new ATOM 0 HA MET A 62 18.866 -13.642 -3.617 1.00 4.15 H new ATOM 0 HB2 MET A 62 18.228 -11.957 -6.010 1.00 4.05 H new ATOM 0 HB3 MET A 62 18.956 -13.522 -6.316 1.00 4.05 H new ATOM 0 HG2 MET A 62 16.643 -13.418 -4.415 1.00 5.11 H new ATOM 0 HG3 MET A 62 16.306 -13.176 -6.118 1.00 5.11 H new ATOM 0 HE1 MET A 62 16.309 -16.989 -4.077 1.00 1.21 H new ATOM 0 HE2 MET A 62 16.118 -15.316 -3.501 1.00 1.21 H new ATOM 0 HE3 MET A 62 14.982 -15.980 -4.699 1.00 1.21 H new ATOM 965 N GLN A 63 21.236 -11.961 -5.205 1.00 35.13 N ATOM 966 CA GLN A 63 22.655 -11.974 -5.538 1.00 20.12 C ATOM 967 C GLN A 63 23.506 -12.172 -4.288 1.00 32.04 C ATOM 968 O GLN A 63 24.607 -12.717 -4.355 1.00 72.12 O ATOM 969 CB GLN A 63 23.049 -10.671 -6.236 1.00 34.12 C ATOM 970 CG GLN A 63 23.040 -9.461 -5.315 1.00 63.35 C ATOM 971 CD GLN A 63 23.547 -8.206 -5.997 1.00 42.24 C ATOM 972 OE1 GLN A 63 22.992 -7.765 -7.004 1.00 62.13 O ATOM 973 NE2 GLN A 63 24.607 -7.622 -5.451 1.00 3.21 N ATOM 0 H GLN A 63 20.743 -11.116 -5.493 1.00 35.13 H new ATOM 0 HA GLN A 63 22.836 -12.809 -6.214 1.00 20.12 H new ATOM 0 HB2 GLN A 63 24.045 -10.784 -6.664 1.00 34.12 H new ATOM 0 HB3 GLN A 63 22.365 -10.491 -7.065 1.00 34.12 H new ATOM 0 HG2 GLN A 63 22.025 -9.290 -4.956 1.00 63.35 H new ATOM 0 HG3 GLN A 63 23.657 -9.670 -4.441 1.00 63.35 H new ATOM 0 HE21 GLN A 63 25.036 -8.021 -4.616 1.00 3.21 H new ATOM 0 HE22 GLN A 63 24.992 -6.774 -5.866 1.00 3.21 H new ATOM 982 N GLU A 64 22.987 -11.725 -3.148 1.00 23.00 N ATOM 983 CA GLU A 64 23.701 -11.853 -1.883 1.00 1.42 C ATOM 984 C GLU A 64 23.164 -13.028 -1.071 1.00 62.14 C ATOM 985 O GLU A 64 23.247 -13.037 0.157 1.00 74.12 O ATOM 986 CB GLU A 64 23.581 -10.561 -1.071 1.00 74.13 C ATOM 987 CG GLU A 64 24.484 -9.444 -1.567 1.00 32.21 C ATOM 988 CD GLU A 64 25.910 -9.585 -1.072 1.00 42.41 C ATOM 989 OE1 GLU A 64 26.095 -9.887 0.125 1.00 30.45 O ATOM 990 OE2 GLU A 64 26.841 -9.392 -1.881 1.00 43.44 O ATOM 0 H GLU A 64 22.076 -11.272 -3.075 1.00 23.00 H new ATOM 0 HA GLU A 64 24.752 -12.038 -2.106 1.00 1.42 H new ATOM 0 HB2 GLU A 64 22.546 -10.219 -1.098 1.00 74.13 H new ATOM 0 HB3 GLU A 64 23.819 -10.773 -0.029 1.00 74.13 H new ATOM 0 HG2 GLU A 64 24.481 -9.436 -2.657 1.00 32.21 H new ATOM 0 HG3 GLU A 64 24.083 -8.485 -1.240 1.00 32.21 H new ATOM 997 N TRP A 65 22.614 -14.017 -1.767 1.00 3.13 N ATOM 998 CA TRP A 65 22.063 -15.198 -1.111 1.00 50.53 C ATOM 999 C TRP A 65 22.586 -16.474 -1.760 1.00 30.41 C ATOM 1000 O TRP A 65 22.908 -17.445 -1.073 1.00 4.52 O ATOM 1001 CB TRP A 65 20.535 -15.171 -1.168 1.00 53.23 C ATOM 1002 CG TRP A 65 19.896 -16.375 -0.546 1.00 70.51 C ATOM 1003 CD1 TRP A 65 19.786 -17.621 -1.096 1.00 4.14 C ATOM 1004 CD2 TRP A 65 19.277 -16.448 0.743 1.00 3.21 C ATOM 1005 NE1 TRP A 65 19.137 -18.463 -0.226 1.00 32.13 N ATOM 1006 CE2 TRP A 65 18.815 -17.768 0.910 1.00 51.12 C ATOM 1007 CE3 TRP A 65 19.071 -15.527 1.774 1.00 51.35 C ATOM 1008 CZ2 TRP A 65 18.159 -18.186 2.064 1.00 34.13 C ATOM 1009 CZ3 TRP A 65 18.419 -15.943 2.919 1.00 61.34 C ATOM 1010 CH2 TRP A 65 17.970 -17.263 3.057 1.00 31.40 C ATOM 0 H TRP A 65 22.538 -14.025 -2.784 1.00 3.13 H new ATOM 0 HA TRP A 65 22.381 -15.186 -0.068 1.00 50.53 H new ATOM 0 HB2 TRP A 65 20.175 -14.275 -0.661 1.00 53.23 H new ATOM 0 HB3 TRP A 65 20.219 -15.097 -2.208 1.00 53.23 H new ATOM 0 HD1 TRP A 65 20.155 -17.902 -2.071 1.00 4.14 H new ATOM 0 HE1 TRP A 65 18.929 -19.447 -0.398 1.00 32.13 H new ATOM 0 HE3 TRP A 65 19.415 -14.508 1.677 1.00 51.35 H new ATOM 0 HZ2 TRP A 65 17.811 -19.203 2.172 1.00 34.13 H new ATOM 0 HZ3 TRP A 65 18.253 -15.239 3.721 1.00 61.34 H new ATOM 0 HH2 TRP A 65 17.465 -17.558 3.965 1.00 31.40 H new ATOM 1021 N LEU A 66 22.668 -16.468 -3.086 1.00 23.43 N ATOM 1022 CA LEU A 66 23.153 -17.627 -3.827 1.00 61.34 C ATOM 1023 C LEU A 66 24.677 -17.682 -3.816 1.00 64.05 C ATOM 1024 O LEU A 66 25.270 -18.755 -3.923 1.00 33.35 O ATOM 1025 CB LEU A 66 22.643 -17.585 -5.269 1.00 43.40 C ATOM 1026 CG LEU A 66 21.175 -17.960 -5.473 1.00 63.42 C ATOM 1027 CD1 LEU A 66 20.884 -19.325 -4.868 1.00 4.12 C ATOM 1028 CD2 LEU A 66 20.265 -16.902 -4.869 1.00 14.43 C ATOM 0 H LEU A 66 22.405 -15.674 -3.670 1.00 23.43 H new ATOM 0 HA LEU A 66 22.772 -18.524 -3.339 1.00 61.34 H new ATOM 0 HB2 LEU A 66 22.798 -16.579 -5.659 1.00 43.40 H new ATOM 0 HB3 LEU A 66 23.256 -18.257 -5.870 1.00 43.40 H new ATOM 0 HG LEU A 66 20.978 -18.010 -6.544 1.00 63.42 H new ATOM 0 HD11 LEU A 66 19.834 -19.575 -5.023 1.00 4.12 H new ATOM 0 HD12 LEU A 66 21.511 -20.077 -5.348 1.00 4.12 H new ATOM 0 HD13 LEU A 66 21.098 -19.302 -3.799 1.00 4.12 H new ATOM 0 HD21 LEU A 66 19.224 -17.186 -5.024 1.00 14.43 H new ATOM 0 HD22 LEU A 66 20.463 -16.819 -3.800 1.00 14.43 H new ATOM 0 HD23 LEU A 66 20.454 -15.942 -5.349 1.00 14.43 H new ATOM 1040 N GLU A 67 25.305 -16.518 -3.685 1.00 44.34 N ATOM 1041 CA GLU A 67 26.761 -16.434 -3.659 1.00 70.40 C ATOM 1042 C GLU A 67 27.310 -16.928 -2.324 1.00 21.24 C ATOM 1043 O GLU A 67 28.444 -17.403 -2.242 1.00 75.10 O ATOM 1044 CB GLU A 67 27.216 -14.995 -3.909 1.00 62.13 C ATOM 1045 CG GLU A 67 26.931 -14.056 -2.749 1.00 63.22 C ATOM 1046 CD GLU A 67 27.396 -12.638 -3.019 1.00 31.12 C ATOM 1047 OE1 GLU A 67 27.217 -12.163 -4.160 1.00 11.32 O ATOM 1048 OE2 GLU A 67 27.938 -12.004 -2.090 1.00 22.22 O ATOM 0 H GLU A 67 24.829 -15.620 -3.595 1.00 44.34 H new ATOM 0 HA GLU A 67 27.150 -17.073 -4.452 1.00 70.40 H new ATOM 0 HB2 GLU A 67 28.287 -14.992 -4.113 1.00 62.13 H new ATOM 0 HB3 GLU A 67 26.720 -14.616 -4.802 1.00 62.13 H new ATOM 0 HG2 GLU A 67 25.860 -14.051 -2.545 1.00 63.22 H new ATOM 0 HG3 GLU A 67 27.424 -14.432 -1.853 1.00 63.22 H new ATOM 1055 N THR A 68 26.498 -16.812 -1.277 1.00 63.22 N ATOM 1056 CA THR A 68 26.902 -17.244 0.055 1.00 72.32 C ATOM 1057 C THR A 68 26.243 -18.568 0.427 1.00 53.42 C ATOM 1058 O THR A 68 26.924 -19.554 0.705 1.00 30.53 O ATOM 1059 CB THR A 68 26.546 -16.190 1.120 1.00 50.55 C ATOM 1060 OG1 THR A 68 25.147 -15.890 1.064 1.00 52.01 O ATOM 1061 CG2 THR A 68 27.351 -14.916 0.910 1.00 62.02 C ATOM 0 H THR A 68 25.557 -16.422 -1.326 1.00 63.22 H new ATOM 0 HA THR A 68 27.984 -17.374 0.030 1.00 72.32 H new ATOM 0 HB THR A 68 26.791 -16.599 2.100 1.00 50.55 H new ATOM 0 HG1 THR A 68 24.928 -15.220 1.745 1.00 52.01 H new ATOM 0 HG21 THR A 68 27.083 -14.186 1.674 1.00 62.02 H new ATOM 0 HG22 THR A 68 28.415 -15.142 0.982 1.00 62.02 H new ATOM 0 HG23 THR A 68 27.133 -14.506 -0.076 1.00 62.02 H new ATOM 1069 N ARG A 69 24.914 -18.581 0.429 1.00 72.53 N ATOM 1070 CA ARG A 69 24.163 -19.784 0.767 1.00 32.40 C ATOM 1071 C ARG A 69 24.039 -20.706 -0.443 1.00 31.24 C ATOM 1072 O ARG A 69 24.619 -20.446 -1.496 1.00 72.30 O ATOM 1073 CB ARG A 69 22.772 -19.414 1.284 1.00 35.22 C ATOM 1074 CG ARG A 69 22.780 -18.283 2.299 1.00 2.22 C ATOM 1075 CD ARG A 69 21.656 -18.435 3.312 1.00 5.24 C ATOM 1076 NE ARG A 69 22.046 -19.278 4.439 1.00 31.23 N ATOM 1077 CZ ARG A 69 22.844 -18.872 5.420 1.00 1.51 C ATOM 1078 NH1 ARG A 69 23.335 -17.640 5.413 1.00 54.24 N ATOM 1079 NH2 ARG A 69 23.153 -19.698 6.412 1.00 52.44 N ATOM 0 H ARG A 69 24.336 -17.773 0.201 1.00 72.53 H new ATOM 0 HA ARG A 69 24.706 -20.312 1.551 1.00 32.40 H new ATOM 0 HB2 ARG A 69 22.144 -19.129 0.440 1.00 35.22 H new ATOM 0 HB3 ARG A 69 22.316 -20.294 1.737 1.00 35.22 H new ATOM 0 HG2 ARG A 69 23.739 -18.265 2.818 1.00 2.22 H new ATOM 0 HG3 ARG A 69 22.679 -17.328 1.782 1.00 2.22 H new ATOM 0 HD2 ARG A 69 21.363 -17.451 3.679 1.00 5.24 H new ATOM 0 HD3 ARG A 69 20.782 -18.865 2.822 1.00 5.24 H new ATOM 0 HE ARG A 69 21.686 -20.232 4.475 1.00 31.23 H new ATOM 0 HH11 ARG A 69 23.100 -17.002 4.653 1.00 54.24 H new ATOM 0 HH12 ARG A 69 23.948 -17.331 6.168 1.00 54.24 H new ATOM 0 HH21 ARG A 69 22.777 -20.646 6.422 1.00 52.44 H new ATOM 0 HH22 ARG A 69 23.766 -19.384 7.165 1.00 52.44 H new ATOM 1093 N GLY A 70 23.279 -21.785 -0.283 1.00 34.33 N ATOM 1094 CA GLY A 70 23.093 -22.730 -1.369 1.00 50.50 C ATOM 1095 C GLY A 70 23.127 -24.170 -0.898 1.00 4.24 C ATOM 1096 O GLY A 70 23.447 -24.444 0.259 1.00 2.00 O ATOM 0 H GLY A 70 22.789 -22.022 0.579 1.00 34.33 H new ATOM 0 HA2 GLY A 70 22.139 -22.534 -1.858 1.00 50.50 H new ATOM 0 HA3 GLY A 70 23.871 -22.577 -2.117 1.00 50.50 H new ATOM 1100 N SER A 71 22.795 -25.093 -1.795 1.00 5.42 N ATOM 1101 CA SER A 71 22.784 -26.512 -1.463 1.00 24.53 C ATOM 1102 C SER A 71 24.159 -26.969 -0.984 1.00 21.12 C ATOM 1103 O SER A 71 25.177 -26.323 -1.231 1.00 43.23 O ATOM 1104 CB SER A 71 22.354 -27.338 -2.677 1.00 23.44 C ATOM 1105 OG SER A 71 22.236 -26.525 -3.831 1.00 23.10 O ATOM 0 H SER A 71 22.530 -24.883 -2.757 1.00 5.42 H new ATOM 0 HA SER A 71 22.068 -26.665 -0.656 1.00 24.53 H new ATOM 0 HB2 SER A 71 23.081 -28.129 -2.859 1.00 23.44 H new ATOM 0 HB3 SER A 71 21.400 -27.823 -2.471 1.00 23.44 H new ATOM 0 HG SER A 71 23.061 -26.010 -3.954 1.00 23.10 H new ATOM 1111 N PRO A 72 24.191 -28.111 -0.281 1.00 15.13 N ATOM 1112 CA PRO A 72 25.433 -28.681 0.248 1.00 62.11 C ATOM 1113 C PRO A 72 26.339 -29.220 -0.854 1.00 75.33 C ATOM 1114 O PRO A 72 27.563 -29.119 -0.772 1.00 32.33 O ATOM 1115 CB PRO A 72 24.947 -29.821 1.146 1.00 74.43 C ATOM 1116 CG PRO A 72 23.619 -30.202 0.588 1.00 73.30 C ATOM 1117 CD PRO A 72 23.015 -28.934 0.052 1.00 43.41 C ATOM 0 HA PRO A 72 26.033 -27.936 0.770 1.00 62.11 H new ATOM 0 HB2 PRO A 72 25.640 -30.662 1.128 1.00 74.43 H new ATOM 0 HB3 PRO A 72 24.863 -29.499 2.184 1.00 74.43 H new ATOM 0 HG2 PRO A 72 23.726 -30.947 -0.201 1.00 73.30 H new ATOM 0 HG3 PRO A 72 22.984 -30.642 1.357 1.00 73.30 H new ATOM 0 HD2 PRO A 72 22.395 -29.123 -0.825 1.00 43.41 H new ATOM 0 HD3 PRO A 72 22.380 -28.447 0.792 1.00 43.41 H new ATOM 1125 N LYS A 73 25.729 -29.793 -1.887 1.00 21.02 N ATOM 1126 CA LYS A 73 26.479 -30.347 -3.008 1.00 24.15 C ATOM 1127 C LYS A 73 26.574 -29.341 -4.150 1.00 13.42 C ATOM 1128 O LYS A 73 26.705 -29.719 -5.314 1.00 35.02 O ATOM 1129 CB LYS A 73 25.819 -31.636 -3.503 1.00 1.15 C ATOM 1130 CG LYS A 73 26.812 -32.691 -3.959 1.00 74.15 C ATOM 1131 CD LYS A 73 26.180 -33.662 -4.943 1.00 31.12 C ATOM 1132 CE LYS A 73 25.535 -34.839 -4.227 1.00 61.35 C ATOM 1133 NZ LYS A 73 25.473 -36.049 -5.094 1.00 51.43 N ATOM 0 H LYS A 73 24.717 -29.886 -1.971 1.00 21.02 H new ATOM 0 HA LYS A 73 27.488 -30.572 -2.661 1.00 24.15 H new ATOM 0 HB2 LYS A 73 25.204 -32.049 -2.704 1.00 1.15 H new ATOM 0 HB3 LYS A 73 25.150 -31.397 -4.330 1.00 1.15 H new ATOM 0 HG2 LYS A 73 27.671 -32.207 -4.424 1.00 74.15 H new ATOM 0 HG3 LYS A 73 27.185 -33.239 -3.094 1.00 74.15 H new ATOM 0 HD2 LYS A 73 25.430 -33.142 -5.539 1.00 31.12 H new ATOM 0 HD3 LYS A 73 26.939 -34.027 -5.635 1.00 31.12 H new ATOM 0 HE2 LYS A 73 26.100 -35.068 -3.323 1.00 61.35 H new ATOM 0 HE3 LYS A 73 24.528 -34.565 -3.913 1.00 61.35 H new ATOM 0 HZ1 LYS A 73 25.027 -36.829 -4.570 1.00 51.43 H new ATOM 0 HZ2 LYS A 73 24.913 -35.838 -5.945 1.00 51.43 H new ATOM 0 HZ3 LYS A 73 26.436 -36.326 -5.373 1.00 51.43 H new ATOM 1147 N SER A 74 26.508 -28.058 -3.809 1.00 12.40 N ATOM 1148 CA SER A 74 26.583 -26.997 -4.807 1.00 5.23 C ATOM 1149 C SER A 74 27.618 -25.948 -4.408 1.00 33.54 C ATOM 1150 O SER A 74 27.270 -24.837 -4.008 1.00 14.12 O ATOM 1151 CB SER A 74 25.215 -26.337 -4.985 1.00 73.13 C ATOM 1152 OG SER A 74 24.800 -25.693 -3.793 1.00 54.24 O ATOM 0 H SER A 74 26.403 -27.728 -2.850 1.00 12.40 H new ATOM 0 HA SER A 74 26.889 -27.443 -5.753 1.00 5.23 H new ATOM 0 HB2 SER A 74 25.261 -25.611 -5.797 1.00 73.13 H new ATOM 0 HB3 SER A 74 24.479 -27.089 -5.271 1.00 73.13 H new ATOM 0 HG SER A 74 25.280 -26.076 -3.030 1.00 54.24 H new ATOM 1158 N HIS A 75 28.892 -26.311 -4.519 1.00 12.10 N ATOM 1159 CA HIS A 75 29.978 -25.402 -4.171 1.00 23.24 C ATOM 1160 C HIS A 75 29.934 -24.146 -5.035 1.00 63.03 C ATOM 1161 O HIS A 75 29.474 -24.183 -6.177 1.00 12.32 O ATOM 1162 CB HIS A 75 31.328 -26.101 -4.334 1.00 62.23 C ATOM 1163 CG HIS A 75 31.690 -26.984 -3.180 1.00 14.15 C ATOM 1164 ND1 HIS A 75 32.336 -28.193 -3.330 1.00 15.14 N ATOM 1165 CD2 HIS A 75 31.493 -26.826 -1.850 1.00 24.45 C ATOM 1166 CE1 HIS A 75 32.519 -28.742 -2.142 1.00 44.31 C ATOM 1167 NE2 HIS A 75 32.018 -27.932 -1.227 1.00 32.32 N ATOM 0 H HIS A 75 29.197 -27.227 -4.847 1.00 12.10 H new ATOM 0 HA HIS A 75 29.853 -25.108 -3.129 1.00 23.24 H new ATOM 0 HB2 HIS A 75 31.311 -26.698 -5.246 1.00 62.23 H new ATOM 0 HB3 HIS A 75 32.105 -25.347 -4.461 1.00 62.23 H new ATOM 0 HD2 HIS A 75 31.013 -25.987 -1.369 1.00 24.45 H new ATOM 0 HE1 HIS A 75 32.997 -29.692 -1.952 1.00 44.31 H new ATOM 0 HE2 HIS A 75 32.021 -28.100 -0.221 1.00 32.32 H new ATOM 1175 N ILE A 76 30.415 -23.037 -4.484 1.00 2.11 N ATOM 1176 CA ILE A 76 30.431 -21.770 -5.205 1.00 73.42 C ATOM 1177 C ILE A 76 31.857 -21.344 -5.537 1.00 72.21 C ATOM 1178 O ILE A 76 32.420 -20.465 -4.886 1.00 2.44 O ATOM 1179 CB ILE A 76 29.748 -20.653 -4.395 1.00 3.41 C ATOM 1180 CG1 ILE A 76 28.318 -21.056 -4.032 1.00 73.41 C ATOM 1181 CG2 ILE A 76 29.754 -19.350 -5.181 1.00 14.13 C ATOM 1182 CD1 ILE A 76 27.679 -20.155 -2.999 1.00 51.31 C ATOM 0 H ILE A 76 30.799 -22.990 -3.540 1.00 2.11 H new ATOM 0 HA ILE A 76 29.877 -21.927 -6.131 1.00 73.42 H new ATOM 0 HB ILE A 76 30.307 -20.501 -3.472 1.00 3.41 H new ATOM 0 HG12 ILE A 76 27.707 -21.050 -4.935 1.00 73.41 H new ATOM 0 HG13 ILE A 76 28.322 -22.079 -3.657 1.00 73.41 H new ATOM 0 HG21 ILE A 76 29.268 -18.570 -4.596 1.00 14.13 H new ATOM 0 HG22 ILE A 76 30.782 -19.057 -5.392 1.00 14.13 H new ATOM 0 HG23 ILE A 76 29.216 -19.488 -6.119 1.00 14.13 H new ATOM 0 HD11 ILE A 76 26.667 -20.501 -2.791 1.00 51.31 H new ATOM 0 HD12 ILE A 76 28.267 -20.180 -2.081 1.00 51.31 H new ATOM 0 HD13 ILE A 76 27.643 -19.134 -3.379 1.00 51.31 H new ATOM 1194 N ASP A 77 32.434 -21.972 -6.555 1.00 61.43 N ATOM 1195 CA ASP A 77 33.794 -21.657 -6.977 1.00 1.55 C ATOM 1196 C ASP A 77 33.893 -20.211 -7.455 1.00 71.40 C ATOM 1197 O ASP A 77 34.905 -19.544 -7.243 1.00 44.44 O ATOM 1198 CB ASP A 77 34.240 -22.607 -8.089 1.00 11.21 C ATOM 1199 CG ASP A 77 35.748 -22.745 -8.162 1.00 72.33 C ATOM 1200 OD1 ASP A 77 36.411 -22.572 -7.118 1.00 45.04 O ATOM 1201 OD2 ASP A 77 36.264 -23.028 -9.263 1.00 43.34 O ATOM 0 H ASP A 77 31.981 -22.703 -7.104 1.00 61.43 H new ATOM 0 HA ASP A 77 34.453 -21.783 -6.118 1.00 1.55 H new ATOM 0 HB2 ASP A 77 33.796 -23.589 -7.924 1.00 11.21 H new ATOM 0 HB3 ASP A 77 33.865 -22.244 -9.046 1.00 11.21 H new ATOM 1206 N LYS A 78 32.835 -19.734 -8.102 1.00 62.33 N ATOM 1207 CA LYS A 78 32.801 -18.368 -8.612 1.00 22.45 C ATOM 1208 C LYS A 78 31.368 -17.927 -8.890 1.00 11.02 C ATOM 1209 O LYS A 78 30.765 -18.333 -9.883 1.00 44.31 O ATOM 1210 CB LYS A 78 33.637 -18.257 -9.888 1.00 63.35 C ATOM 1211 CG LYS A 78 33.640 -16.865 -10.495 1.00 13.33 C ATOM 1212 CD LYS A 78 34.341 -15.864 -9.591 1.00 64.55 C ATOM 1213 CE LYS A 78 35.834 -16.145 -9.503 1.00 52.41 C ATOM 1214 NZ LYS A 78 36.594 -14.955 -9.031 1.00 5.23 N ATOM 0 H LYS A 78 31.989 -20.273 -8.286 1.00 62.33 H new ATOM 0 HA LYS A 78 33.223 -17.712 -7.851 1.00 22.45 H new ATOM 0 HB2 LYS A 78 34.663 -18.550 -9.666 1.00 63.35 H new ATOM 0 HB3 LYS A 78 33.256 -18.964 -10.625 1.00 63.35 H new ATOM 0 HG2 LYS A 78 34.137 -16.891 -11.465 1.00 13.33 H new ATOM 0 HG3 LYS A 78 32.614 -16.542 -10.671 1.00 13.33 H new ATOM 0 HD2 LYS A 78 34.181 -14.855 -9.970 1.00 64.55 H new ATOM 0 HD3 LYS A 78 33.903 -15.903 -8.594 1.00 64.55 H new ATOM 0 HE2 LYS A 78 36.007 -16.980 -8.824 1.00 52.41 H new ATOM 0 HE3 LYS A 78 36.205 -16.448 -10.482 1.00 52.41 H new ATOM 0 HZ1 LYS A 78 37.607 -15.186 -8.984 1.00 5.23 H new ATOM 0 HZ2 LYS A 78 36.449 -14.166 -9.693 1.00 5.23 H new ATOM 0 HZ3 LYS A 78 36.258 -14.681 -8.086 1.00 5.23 H new ATOM 1228 N ALA A 79 30.829 -17.093 -8.007 1.00 15.30 N ATOM 1229 CA ALA A 79 29.468 -16.594 -8.160 1.00 54.30 C ATOM 1230 C ALA A 79 29.464 -15.161 -8.681 1.00 53.41 C ATOM 1231 O ALA A 79 29.646 -14.213 -7.919 1.00 13.44 O ATOM 1232 CB ALA A 79 28.723 -16.678 -6.836 1.00 75.01 C ATOM 0 H ALA A 79 31.314 -16.749 -7.178 1.00 15.30 H new ATOM 0 HA ALA A 79 28.958 -17.220 -8.892 1.00 54.30 H new ATOM 0 HB1 ALA A 79 27.708 -16.302 -6.965 1.00 75.01 H new ATOM 0 HB2 ALA A 79 28.686 -17.716 -6.504 1.00 75.01 H new ATOM 0 HB3 ALA A 79 29.240 -16.076 -6.089 1.00 75.01 H new ATOM 1238 N ASN A 80 29.256 -15.011 -9.985 1.00 54.42 N ATOM 1239 CA ASN A 80 29.229 -13.692 -10.608 1.00 65.34 C ATOM 1240 C ASN A 80 27.856 -13.400 -11.205 1.00 42.13 C ATOM 1241 O ASN A 80 26.975 -14.260 -11.214 1.00 64.13 O ATOM 1242 CB ASN A 80 30.301 -13.598 -11.696 1.00 64.11 C ATOM 1243 CG ASN A 80 30.780 -12.176 -11.914 1.00 5.20 C ATOM 1244 OD1 ASN A 80 30.709 -11.648 -13.024 1.00 32.11 O ATOM 1245 ND2 ASN A 80 31.273 -11.548 -10.852 1.00 72.42 N ATOM 0 H ASN A 80 29.104 -15.786 -10.631 1.00 54.42 H new ATOM 0 HA ASN A 80 29.436 -12.949 -9.838 1.00 65.34 H new ATOM 0 HB2 ASN A 80 31.149 -14.226 -11.422 1.00 64.11 H new ATOM 0 HB3 ASN A 80 29.902 -13.991 -12.631 1.00 64.11 H new ATOM 0 HD21 ASN A 80 31.612 -10.590 -10.938 1.00 72.42 H new ATOM 0 HD22 ASN A 80 31.313 -12.024 -9.951 1.00 72.42 H new ATOM 1252 N PHE A 81 27.681 -12.181 -11.704 1.00 3.52 N ATOM 1253 CA PHE A 81 26.415 -11.774 -12.303 1.00 4.23 C ATOM 1254 C PHE A 81 26.613 -11.347 -13.754 1.00 73.55 C ATOM 1255 O PHE A 81 27.719 -11.417 -14.288 1.00 2.53 O ATOM 1256 CB PHE A 81 25.793 -10.627 -11.503 1.00 24.43 C ATOM 1257 CG PHE A 81 26.763 -9.527 -11.178 1.00 64.45 C ATOM 1258 CD1 PHE A 81 27.072 -8.558 -12.119 1.00 64.54 C ATOM 1259 CD2 PHE A 81 27.367 -9.463 -9.933 1.00 14.43 C ATOM 1260 CE1 PHE A 81 27.964 -7.545 -11.824 1.00 42.42 C ATOM 1261 CE2 PHE A 81 28.259 -8.451 -9.632 1.00 12.03 C ATOM 1262 CZ PHE A 81 28.559 -7.492 -10.579 1.00 10.51 C ATOM 0 H PHE A 81 28.400 -11.457 -11.706 1.00 3.52 H new ATOM 0 HA PHE A 81 25.740 -12.630 -12.283 1.00 4.23 H new ATOM 0 HB2 PHE A 81 24.960 -10.210 -12.069 1.00 24.43 H new ATOM 0 HB3 PHE A 81 25.381 -11.023 -10.575 1.00 24.43 H new ATOM 0 HD1 PHE A 81 26.610 -8.595 -13.095 1.00 64.54 H new ATOM 0 HD2 PHE A 81 27.138 -10.212 -9.189 1.00 14.43 H new ATOM 0 HE1 PHE A 81 28.196 -6.795 -12.566 1.00 42.42 H new ATOM 0 HE2 PHE A 81 28.721 -8.410 -8.657 1.00 12.03 H new ATOM 0 HZ PHE A 81 29.258 -6.702 -10.346 1.00 10.51 H new ATOM 1272 N ASN A 82 25.530 -10.907 -14.388 1.00 24.21 N ATOM 1273 CA ASN A 82 25.583 -10.471 -15.778 1.00 43.54 C ATOM 1274 C ASN A 82 25.269 -8.982 -15.893 1.00 61.05 C ATOM 1275 O ASN A 82 24.974 -8.321 -14.899 1.00 35.11 O ATOM 1276 CB ASN A 82 24.598 -11.278 -16.626 1.00 63.11 C ATOM 1277 CG ASN A 82 25.063 -11.434 -18.061 1.00 51.43 C ATOM 1278 OD1 ASN A 82 24.645 -10.685 -18.945 1.00 61.42 O ATOM 1279 ND2 ASN A 82 25.932 -12.409 -18.299 1.00 72.14 N ATOM 0 H ASN A 82 24.606 -10.843 -13.961 1.00 24.21 H new ATOM 0 HA ASN A 82 26.594 -10.641 -16.148 1.00 43.54 H new ATOM 0 HB2 ASN A 82 24.463 -12.264 -16.181 1.00 63.11 H new ATOM 0 HB3 ASN A 82 23.625 -10.787 -16.614 1.00 63.11 H new ATOM 0 HD21 ASN A 82 26.281 -12.562 -19.245 1.00 72.14 H new ATOM 0 HD22 ASN A 82 26.251 -13.005 -17.536 1.00 72.14 H new ATOM 1286 N ASN A 83 25.335 -8.462 -17.115 1.00 10.43 N ATOM 1287 CA ASN A 83 25.058 -7.051 -17.360 1.00 75.04 C ATOM 1288 C ASN A 83 23.575 -6.747 -17.169 1.00 52.00 C ATOM 1289 O ASN A 83 22.792 -6.807 -18.117 1.00 0.14 O ATOM 1290 CB ASN A 83 25.491 -6.664 -18.776 1.00 14.43 C ATOM 1291 CG ASN A 83 25.193 -5.211 -19.094 1.00 71.12 C ATOM 1292 OD1 ASN A 83 25.127 -4.369 -18.199 1.00 15.21 O ATOM 1293 ND2 ASN A 83 25.012 -4.912 -20.375 1.00 53.42 N ATOM 0 H ASN A 83 25.578 -8.996 -17.950 1.00 10.43 H new ATOM 0 HA ASN A 83 25.627 -6.464 -16.639 1.00 75.04 H new ATOM 0 HB2 ASN A 83 26.560 -6.846 -18.889 1.00 14.43 H new ATOM 0 HB3 ASN A 83 24.981 -7.303 -19.497 1.00 14.43 H new ATOM 0 HD21 ASN A 83 24.809 -3.951 -20.651 1.00 53.42 H new ATOM 0 HD22 ASN A 83 25.076 -5.643 -21.083 1.00 53.42 H new ATOM 1300 N GLU A 84 23.197 -6.420 -15.937 1.00 24.21 N ATOM 1301 CA GLU A 84 21.808 -6.107 -15.622 1.00 5.10 C ATOM 1302 C GLU A 84 21.286 -4.989 -16.519 1.00 51.33 C ATOM 1303 O GLU A 84 22.044 -4.374 -17.270 1.00 74.13 O ATOM 1304 CB GLU A 84 21.674 -5.701 -14.153 1.00 25.43 C ATOM 1305 CG GLU A 84 22.213 -4.313 -13.853 1.00 40.51 C ATOM 1306 CD GLU A 84 22.689 -4.168 -12.421 1.00 25.02 C ATOM 1307 OE1 GLU A 84 23.856 -4.519 -12.145 1.00 14.54 O ATOM 1308 OE2 GLU A 84 21.895 -3.704 -11.576 1.00 42.20 O ATOM 0 H GLU A 84 23.833 -6.365 -15.141 1.00 24.21 H new ATOM 0 HA GLU A 84 21.211 -7.002 -15.800 1.00 5.10 H new ATOM 0 HB2 GLU A 84 20.623 -5.743 -13.868 1.00 25.43 H new ATOM 0 HB3 GLU A 84 22.201 -6.428 -13.535 1.00 25.43 H new ATOM 0 HG2 GLU A 84 23.039 -4.094 -14.530 1.00 40.51 H new ATOM 0 HG3 GLU A 84 21.435 -3.575 -14.050 1.00 40.51 H new ATOM 1315 N LYS A 85 19.985 -4.731 -16.436 1.00 42.42 N ATOM 1316 CA LYS A 85 19.359 -3.687 -17.239 1.00 10.21 C ATOM 1317 C LYS A 85 17.970 -3.350 -16.706 1.00 72.51 C ATOM 1318 O LYS A 85 17.220 -4.236 -16.295 1.00 63.51 O ATOM 1319 CB LYS A 85 19.263 -4.128 -18.701 1.00 40.22 C ATOM 1320 CG LYS A 85 18.475 -5.411 -18.899 1.00 54.21 C ATOM 1321 CD LYS A 85 18.679 -5.982 -20.292 1.00 51.44 C ATOM 1322 CE LYS A 85 17.882 -7.261 -20.493 1.00 32.53 C ATOM 1323 NZ LYS A 85 18.642 -8.463 -20.051 1.00 62.33 N ATOM 0 H LYS A 85 19.343 -5.231 -15.820 1.00 42.42 H new ATOM 0 HA LYS A 85 19.980 -2.793 -17.176 1.00 10.21 H new ATOM 0 HB2 LYS A 85 18.797 -3.332 -19.282 1.00 40.22 H new ATOM 0 HB3 LYS A 85 20.269 -4.265 -19.097 1.00 40.22 H new ATOM 0 HG2 LYS A 85 18.782 -6.146 -18.155 1.00 54.21 H new ATOM 0 HG3 LYS A 85 17.415 -5.217 -18.736 1.00 54.21 H new ATOM 0 HD2 LYS A 85 18.379 -5.244 -21.036 1.00 51.44 H new ATOM 0 HD3 LYS A 85 19.738 -6.183 -20.452 1.00 51.44 H new ATOM 0 HE2 LYS A 85 16.947 -7.198 -19.936 1.00 32.53 H new ATOM 0 HE3 LYS A 85 17.620 -7.364 -21.546 1.00 32.53 H new ATOM 0 HZ1 LYS A 85 18.065 -9.314 -20.204 1.00 62.33 H new ATOM 0 HZ2 LYS A 85 19.522 -8.538 -20.600 1.00 62.33 H new ATOM 0 HZ3 LYS A 85 18.870 -8.377 -19.040 1.00 62.33 H new ATOM 1337 N VAL A 86 17.632 -2.065 -16.717 1.00 52.14 N ATOM 1338 CA VAL A 86 16.332 -1.612 -16.238 1.00 34.12 C ATOM 1339 C VAL A 86 15.286 -1.674 -17.345 1.00 55.51 C ATOM 1340 O VAL A 86 15.549 -1.286 -18.484 1.00 0.22 O ATOM 1341 CB VAL A 86 16.404 -0.173 -15.694 1.00 51.22 C ATOM 1342 CG1 VAL A 86 16.879 0.784 -16.777 1.00 72.13 C ATOM 1343 CG2 VAL A 86 15.052 0.258 -15.146 1.00 72.03 C ATOM 0 H VAL A 86 18.241 -1.319 -17.053 1.00 52.14 H new ATOM 0 HA VAL A 86 16.041 -2.283 -15.430 1.00 34.12 H new ATOM 0 HB VAL A 86 17.126 -0.148 -14.878 1.00 51.22 H new ATOM 0 HG11 VAL A 86 16.924 1.796 -16.374 1.00 72.13 H new ATOM 0 HG12 VAL A 86 17.870 0.485 -17.118 1.00 72.13 H new ATOM 0 HG13 VAL A 86 16.184 0.758 -17.616 1.00 72.13 H new ATOM 0 HG21 VAL A 86 15.122 1.277 -14.766 1.00 72.03 H new ATOM 0 HG22 VAL A 86 14.307 0.217 -15.941 1.00 72.03 H new ATOM 0 HG23 VAL A 86 14.757 -0.411 -14.338 1.00 72.03 H new ATOM 1353 N ILE A 87 14.098 -2.162 -17.003 1.00 63.53 N ATOM 1354 CA ILE A 87 13.012 -2.273 -17.969 1.00 14.05 C ATOM 1355 C ILE A 87 11.710 -1.721 -17.397 1.00 21.24 C ATOM 1356 O ILE A 87 11.658 -1.293 -16.243 1.00 22.53 O ATOM 1357 CB ILE A 87 12.790 -3.734 -18.402 1.00 20.21 C ATOM 1358 CG1 ILE A 87 12.465 -4.606 -17.187 1.00 54.41 C ATOM 1359 CG2 ILE A 87 14.018 -4.264 -19.127 1.00 4.33 C ATOM 1360 CD1 ILE A 87 13.690 -5.158 -16.494 1.00 3.32 C ATOM 0 H ILE A 87 13.863 -2.487 -16.065 1.00 63.53 H new ATOM 0 HA ILE A 87 13.303 -1.685 -18.840 1.00 14.05 H new ATOM 0 HB ILE A 87 11.943 -3.769 -19.088 1.00 20.21 H new ATOM 0 HG12 ILE A 87 11.887 -4.019 -16.473 1.00 54.41 H new ATOM 0 HG13 ILE A 87 11.832 -5.435 -17.504 1.00 54.41 H new ATOM 0 HG21 ILE A 87 13.846 -5.298 -19.427 1.00 4.33 H new ATOM 0 HG22 ILE A 87 14.209 -3.657 -20.012 1.00 4.33 H new ATOM 0 HG23 ILE A 87 14.881 -4.218 -18.463 1.00 4.33 H new ATOM 0 HD11 ILE A 87 13.384 -5.766 -15.643 1.00 3.32 H new ATOM 0 HD12 ILE A 87 14.258 -5.772 -17.193 1.00 3.32 H new ATOM 0 HD13 ILE A 87 14.313 -4.334 -16.146 1.00 3.32 H new ATOM 1372 N LEU A 88 10.660 -1.735 -18.210 1.00 61.32 N ATOM 1373 CA LEU A 88 9.356 -1.238 -17.785 1.00 42.01 C ATOM 1374 C LEU A 88 8.740 -2.155 -16.734 1.00 31.23 C ATOM 1375 O LEU A 88 8.423 -1.723 -15.625 1.00 43.33 O ATOM 1376 CB LEU A 88 8.418 -1.118 -18.987 1.00 74.00 C ATOM 1377 CG LEU A 88 8.446 0.218 -19.730 1.00 51.11 C ATOM 1378 CD1 LEU A 88 7.889 1.329 -18.853 1.00 24.32 C ATOM 1379 CD2 LEU A 88 9.862 0.549 -20.178 1.00 50.14 C ATOM 0 H LEU A 88 10.686 -2.085 -19.168 1.00 61.32 H new ATOM 0 HA LEU A 88 9.497 -0.252 -17.342 1.00 42.01 H new ATOM 0 HB2 LEU A 88 8.664 -1.910 -19.695 1.00 74.00 H new ATOM 0 HB3 LEU A 88 7.399 -1.300 -18.647 1.00 74.00 H new ATOM 0 HG LEU A 88 7.816 0.133 -20.616 1.00 51.11 H new ATOM 0 HD11 LEU A 88 7.917 2.272 -19.399 1.00 24.32 H new ATOM 0 HD12 LEU A 88 6.859 1.097 -18.582 1.00 24.32 H new ATOM 0 HD13 LEU A 88 8.491 1.415 -17.949 1.00 24.32 H new ATOM 0 HD21 LEU A 88 9.863 1.503 -20.705 1.00 50.14 H new ATOM 0 HD22 LEU A 88 10.513 0.615 -19.306 1.00 50.14 H new ATOM 0 HD23 LEU A 88 10.225 -0.234 -20.844 1.00 50.14 H new ATOM 1391 N LYS A 89 8.574 -3.425 -17.088 1.00 31.00 N ATOM 1392 CA LYS A 89 7.999 -4.406 -16.175 1.00 1.31 C ATOM 1393 C LYS A 89 8.600 -5.788 -16.412 1.00 0.51 C ATOM 1394 O LYS A 89 9.496 -5.952 -17.241 1.00 30.20 O ATOM 1395 CB LYS A 89 6.479 -4.463 -16.346 1.00 3.32 C ATOM 1396 CG LYS A 89 6.038 -4.771 -17.766 1.00 61.11 C ATOM 1397 CD LYS A 89 5.915 -3.506 -18.599 1.00 20.11 C ATOM 1398 CE LYS A 89 4.885 -3.666 -19.707 1.00 21.14 C ATOM 1399 NZ LYS A 89 3.517 -3.296 -19.250 1.00 31.15 N ATOM 0 H LYS A 89 8.830 -3.799 -18.002 1.00 31.00 H new ATOM 0 HA LYS A 89 8.233 -4.097 -15.156 1.00 1.31 H new ATOM 0 HB2 LYS A 89 6.075 -5.222 -15.676 1.00 3.32 H new ATOM 0 HB3 LYS A 89 6.051 -3.508 -16.041 1.00 3.32 H new ATOM 0 HG2 LYS A 89 6.755 -5.446 -18.232 1.00 61.11 H new ATOM 0 HG3 LYS A 89 5.079 -5.289 -17.746 1.00 61.11 H new ATOM 0 HD2 LYS A 89 5.633 -2.672 -17.956 1.00 20.11 H new ATOM 0 HD3 LYS A 89 6.884 -3.260 -19.034 1.00 20.11 H new ATOM 0 HE2 LYS A 89 5.165 -3.043 -20.556 1.00 21.14 H new ATOM 0 HE3 LYS A 89 4.884 -4.699 -20.056 1.00 21.14 H new ATOM 0 HZ1 LYS A 89 2.844 -3.419 -20.034 1.00 31.15 H new ATOM 0 HZ2 LYS A 89 3.239 -3.908 -18.456 1.00 31.15 H new ATOM 0 HZ3 LYS A 89 3.511 -2.303 -18.941 1.00 31.15 H new ATOM 1413 N LEU A 90 8.101 -6.778 -15.680 1.00 42.24 N ATOM 1414 CA LEU A 90 8.588 -8.147 -15.812 1.00 50.32 C ATOM 1415 C LEU A 90 8.411 -8.653 -17.240 1.00 52.53 C ATOM 1416 O LEU A 90 7.287 -8.818 -17.716 1.00 24.42 O ATOM 1417 CB LEU A 90 7.851 -9.067 -14.838 1.00 32.11 C ATOM 1418 CG LEU A 90 7.837 -8.623 -13.375 1.00 2.12 C ATOM 1419 CD1 LEU A 90 6.562 -9.086 -12.688 1.00 54.12 C ATOM 1420 CD2 LEU A 90 9.062 -9.155 -12.644 1.00 75.15 C ATOM 0 H LEU A 90 7.360 -6.659 -14.989 1.00 42.24 H new ATOM 0 HA LEU A 90 9.652 -8.153 -15.574 1.00 50.32 H new ATOM 0 HB2 LEU A 90 6.820 -9.169 -15.176 1.00 32.11 H new ATOM 0 HB3 LEU A 90 8.303 -10.057 -14.892 1.00 32.11 H new ATOM 0 HG LEU A 90 7.866 -7.534 -13.346 1.00 2.12 H new ATOM 0 HD11 LEU A 90 6.570 -8.761 -11.648 1.00 54.12 H new ATOM 0 HD12 LEU A 90 5.698 -8.656 -13.196 1.00 54.12 H new ATOM 0 HD13 LEU A 90 6.502 -10.174 -12.727 1.00 54.12 H new ATOM 0 HD21 LEU A 90 9.035 -8.829 -11.604 1.00 75.15 H new ATOM 0 HD22 LEU A 90 9.064 -10.244 -12.683 1.00 75.15 H new ATOM 0 HD23 LEU A 90 9.965 -8.773 -13.121 1.00 75.15 H new ATOM 1432 N ASP A 91 9.527 -8.898 -17.918 1.00 54.31 N ATOM 1433 CA ASP A 91 9.495 -9.388 -19.291 1.00 60.21 C ATOM 1434 C ASP A 91 8.861 -10.774 -19.359 1.00 11.03 C ATOM 1435 O ASP A 91 8.307 -11.165 -20.386 1.00 40.15 O ATOM 1436 CB ASP A 91 10.909 -9.432 -19.872 1.00 41.13 C ATOM 1437 CG ASP A 91 11.689 -8.162 -19.595 1.00 14.52 C ATOM 1438 OD1 ASP A 91 11.121 -7.064 -19.778 1.00 35.30 O ATOM 1439 OD2 ASP A 91 12.867 -8.264 -19.193 1.00 75.55 O ATOM 0 H ASP A 91 10.465 -8.765 -17.539 1.00 54.31 H new ATOM 0 HA ASP A 91 8.889 -8.701 -19.882 1.00 60.21 H new ATOM 0 HB2 ASP A 91 11.445 -10.283 -19.452 1.00 41.13 H new ATOM 0 HB3 ASP A 91 10.851 -9.592 -20.949 1.00 41.13 H new ATOM 1444 N TYR A 92 8.947 -11.512 -18.258 1.00 31.41 N ATOM 1445 CA TYR A 92 8.385 -12.856 -18.193 1.00 73.22 C ATOM 1446 C TYR A 92 7.177 -12.897 -17.262 1.00 72.12 C ATOM 1447 O TYR A 92 7.087 -12.123 -16.309 1.00 72.13 O ATOM 1448 CB TYR A 92 9.444 -13.852 -17.717 1.00 75.21 C ATOM 1449 CG TYR A 92 10.773 -13.706 -18.422 1.00 70.03 C ATOM 1450 CD1 TYR A 92 10.835 -13.513 -19.797 1.00 74.00 C ATOM 1451 CD2 TYR A 92 11.967 -13.762 -17.715 1.00 2.25 C ATOM 1452 CE1 TYR A 92 12.047 -13.380 -20.446 1.00 10.41 C ATOM 1453 CE2 TYR A 92 13.184 -13.628 -18.355 1.00 11.12 C ATOM 1454 CZ TYR A 92 13.219 -13.437 -19.720 1.00 74.24 C ATOM 1455 OH TYR A 92 14.429 -13.305 -20.362 1.00 53.11 O ATOM 0 H TYR A 92 9.400 -11.202 -17.398 1.00 31.41 H new ATOM 0 HA TYR A 92 8.058 -13.134 -19.195 1.00 73.22 H new ATOM 0 HB2 TYR A 92 9.595 -13.724 -16.645 1.00 75.21 H new ATOM 0 HB3 TYR A 92 9.072 -14.865 -17.868 1.00 75.21 H new ATOM 0 HD1 TYR A 92 9.919 -13.466 -20.368 1.00 74.00 H new ATOM 0 HD2 TYR A 92 11.944 -13.913 -16.646 1.00 2.25 H new ATOM 0 HE1 TYR A 92 12.077 -13.232 -21.515 1.00 10.41 H new ATOM 0 HE2 TYR A 92 14.103 -13.673 -17.789 1.00 11.12 H new ATOM 0 HH TYR A 92 15.021 -14.040 -20.099 1.00 53.11 H new ATOM 1465 N SER A 93 6.250 -13.807 -17.546 1.00 0.23 N ATOM 1466 CA SER A 93 5.045 -13.948 -16.737 1.00 20.23 C ATOM 1467 C SER A 93 4.880 -15.386 -16.254 1.00 63.22 C ATOM 1468 O SER A 93 3.766 -15.842 -15.996 1.00 62.32 O ATOM 1469 CB SER A 93 3.814 -13.523 -17.539 1.00 72.43 C ATOM 1470 OG SER A 93 4.098 -12.398 -18.352 1.00 2.10 O ATOM 0 H SER A 93 6.311 -14.457 -18.330 1.00 0.23 H new ATOM 0 HA SER A 93 5.144 -13.300 -15.866 1.00 20.23 H new ATOM 0 HB2 SER A 93 3.479 -14.351 -18.163 1.00 72.43 H new ATOM 0 HB3 SER A 93 2.996 -13.286 -16.858 1.00 72.43 H new ATOM 0 HG SER A 93 3.296 -12.147 -18.856 1.00 2.10 H new ATOM 1476 N ASP A 94 5.997 -16.095 -16.135 1.00 45.00 N ATOM 1477 CA ASP A 94 5.979 -17.481 -15.683 1.00 32.24 C ATOM 1478 C ASP A 94 7.386 -17.960 -15.341 1.00 63.42 C ATOM 1479 O ASP A 94 8.365 -17.534 -15.955 1.00 54.21 O ATOM 1480 CB ASP A 94 5.366 -18.382 -16.756 1.00 64.22 C ATOM 1481 CG ASP A 94 3.879 -18.594 -16.555 1.00 32.15 C ATOM 1482 OD1 ASP A 94 3.446 -18.690 -15.387 1.00 33.31 O ATOM 1483 OD2 ASP A 94 3.148 -18.663 -17.564 1.00 54.33 O ATOM 0 H ASP A 94 6.927 -15.732 -16.345 1.00 45.00 H new ATOM 0 HA ASP A 94 5.368 -17.535 -14.782 1.00 32.24 H new ATOM 0 HB2 ASP A 94 5.537 -17.941 -17.738 1.00 64.22 H new ATOM 0 HB3 ASP A 94 5.872 -19.347 -16.748 1.00 64.22 H new ATOM 1488 N PHE A 95 7.481 -18.849 -14.357 1.00 40.43 N ATOM 1489 CA PHE A 95 8.769 -19.384 -13.932 1.00 60.33 C ATOM 1490 C PHE A 95 8.870 -20.873 -14.250 1.00 65.25 C ATOM 1491 O PHE A 95 7.935 -21.635 -14.007 1.00 40.11 O ATOM 1492 CB PHE A 95 8.970 -19.157 -12.433 1.00 3.13 C ATOM 1493 CG PHE A 95 7.773 -19.526 -11.604 1.00 71.14 C ATOM 1494 CD1 PHE A 95 7.611 -20.819 -11.134 1.00 65.30 C ATOM 1495 CD2 PHE A 95 6.808 -18.580 -11.297 1.00 25.03 C ATOM 1496 CE1 PHE A 95 6.511 -21.162 -10.371 1.00 70.43 C ATOM 1497 CE2 PHE A 95 5.706 -18.917 -10.534 1.00 63.11 C ATOM 1498 CZ PHE A 95 5.557 -20.210 -10.072 1.00 33.01 C ATOM 0 H PHE A 95 6.681 -19.214 -13.839 1.00 40.43 H new ATOM 0 HA PHE A 95 9.551 -18.859 -14.480 1.00 60.33 H new ATOM 0 HB2 PHE A 95 9.828 -19.740 -12.097 1.00 3.13 H new ATOM 0 HB3 PHE A 95 9.211 -18.108 -12.262 1.00 3.13 H new ATOM 0 HD1 PHE A 95 8.353 -21.568 -11.367 1.00 65.30 H new ATOM 0 HD2 PHE A 95 6.918 -17.568 -11.658 1.00 25.03 H new ATOM 0 HE1 PHE A 95 6.398 -22.173 -10.009 1.00 70.43 H new ATOM 0 HE2 PHE A 95 4.962 -18.170 -10.299 1.00 63.11 H new ATOM 0 HZ PHE A 95 4.695 -20.476 -9.478 1.00 33.01 H new ATOM 1508 N GLN A 96 10.012 -21.279 -14.796 1.00 63.13 N ATOM 1509 CA GLN A 96 10.236 -22.676 -15.149 1.00 74.22 C ATOM 1510 C GLN A 96 11.726 -22.998 -15.182 1.00 41.34 C ATOM 1511 O GLN A 96 12.550 -22.135 -15.488 1.00 22.14 O ATOM 1512 CB GLN A 96 9.604 -22.988 -16.507 1.00 21.51 C ATOM 1513 CG GLN A 96 8.165 -23.470 -16.412 1.00 64.13 C ATOM 1514 CD GLN A 96 7.737 -24.271 -17.626 1.00 40.12 C ATOM 1515 OE1 GLN A 96 8.179 -24.008 -18.745 1.00 55.12 O ATOM 1516 NE2 GLN A 96 6.872 -25.255 -17.411 1.00 63.42 N ATOM 0 H GLN A 96 10.796 -20.661 -15.003 1.00 63.13 H new ATOM 0 HA GLN A 96 9.766 -23.297 -14.386 1.00 74.22 H new ATOM 0 HB2 GLN A 96 9.638 -22.093 -17.129 1.00 21.51 H new ATOM 0 HB3 GLN A 96 10.201 -23.749 -17.010 1.00 21.51 H new ATOM 0 HG2 GLN A 96 8.049 -24.083 -15.518 1.00 64.13 H new ATOM 0 HG3 GLN A 96 7.505 -22.610 -16.297 1.00 64.13 H new ATOM 0 HE21 GLN A 96 6.532 -25.438 -16.467 1.00 63.42 H new ATOM 0 HE22 GLN A 96 6.548 -25.828 -18.190 1.00 63.42 H new ATOM 1525 N ILE A 97 12.065 -24.243 -14.866 1.00 52.02 N ATOM 1526 CA ILE A 97 13.456 -24.678 -14.861 1.00 1.32 C ATOM 1527 C ILE A 97 13.863 -25.235 -16.221 1.00 21.25 C ATOM 1528 O ILE A 97 13.220 -26.142 -16.750 1.00 1.13 O ATOM 1529 CB ILE A 97 13.707 -25.749 -13.783 1.00 71.23 C ATOM 1530 CG1 ILE A 97 13.307 -25.220 -12.404 1.00 64.23 C ATOM 1531 CG2 ILE A 97 15.167 -26.176 -13.790 1.00 42.24 C ATOM 1532 CD1 ILE A 97 13.189 -26.302 -11.353 1.00 53.33 C ATOM 0 H ILE A 97 11.395 -24.968 -14.610 1.00 52.02 H new ATOM 0 HA ILE A 97 14.061 -23.799 -14.636 1.00 1.32 H new ATOM 0 HB ILE A 97 13.093 -26.621 -14.009 1.00 71.23 H new ATOM 0 HG12 ILE A 97 14.044 -24.486 -12.077 1.00 64.23 H new ATOM 0 HG13 ILE A 97 12.353 -24.699 -12.486 1.00 64.23 H new ATOM 0 HG21 ILE A 97 15.328 -26.933 -13.023 1.00 42.24 H new ATOM 0 HG22 ILE A 97 15.421 -26.589 -14.766 1.00 42.24 H new ATOM 0 HG23 ILE A 97 15.800 -25.312 -13.586 1.00 42.24 H new ATOM 0 HD11 ILE A 97 12.903 -25.855 -10.401 1.00 53.33 H new ATOM 0 HD12 ILE A 97 12.431 -27.024 -11.657 1.00 53.33 H new ATOM 0 HD13 ILE A 97 14.148 -26.808 -11.242 1.00 53.33 H new ATOM 1544 N VAL A 98 14.937 -24.688 -16.781 1.00 40.20 N ATOM 1545 CA VAL A 98 15.433 -25.132 -18.078 1.00 73.02 C ATOM 1546 C VAL A 98 16.691 -25.979 -17.925 1.00 72.20 C ATOM 1547 O VAL A 98 17.619 -25.609 -17.205 1.00 53.25 O ATOM 1548 CB VAL A 98 15.741 -23.937 -19.001 1.00 34.55 C ATOM 1549 CG1 VAL A 98 16.188 -24.422 -20.371 1.00 60.21 C ATOM 1550 CG2 VAL A 98 14.526 -23.028 -19.118 1.00 24.54 C ATOM 0 H VAL A 98 15.480 -23.936 -16.357 1.00 40.20 H new ATOM 0 HA VAL A 98 14.645 -25.735 -18.528 1.00 73.02 H new ATOM 0 HB VAL A 98 16.556 -23.362 -18.562 1.00 34.55 H new ATOM 0 HG11 VAL A 98 16.401 -23.564 -21.009 1.00 60.21 H new ATOM 0 HG12 VAL A 98 17.087 -25.029 -20.267 1.00 60.21 H new ATOM 0 HG13 VAL A 98 15.396 -25.021 -20.821 1.00 60.21 H new ATOM 0 HG21 VAL A 98 14.761 -22.189 -19.773 1.00 24.54 H new ATOM 0 HG22 VAL A 98 13.690 -23.590 -19.534 1.00 24.54 H new ATOM 0 HG23 VAL A 98 14.256 -22.653 -18.131 1.00 24.54 H new ATOM 1560 N LYS A 99 16.716 -27.119 -18.607 1.00 23.41 N ATOM 1561 CA LYS A 99 17.861 -28.020 -18.549 1.00 62.53 C ATOM 1562 C LYS A 99 18.980 -27.538 -19.467 1.00 72.33 C ATOM 1563 O LYS A 99 18.723 -26.952 -20.519 1.00 4.50 O ATOM 1564 CB LYS A 99 17.440 -29.439 -18.942 1.00 4.53 C ATOM 1565 CG LYS A 99 16.574 -30.126 -17.901 1.00 22.14 C ATOM 1566 CD LYS A 99 16.631 -31.638 -18.038 1.00 65.20 C ATOM 1567 CE LYS A 99 16.017 -32.102 -19.349 1.00 73.45 C ATOM 1568 NZ LYS A 99 17.025 -32.164 -20.444 1.00 30.24 N ATOM 0 H LYS A 99 15.956 -27.441 -19.206 1.00 23.41 H new ATOM 0 HA LYS A 99 18.234 -28.028 -17.525 1.00 62.53 H new ATOM 0 HB2 LYS A 99 16.896 -29.399 -19.886 1.00 4.53 H new ATOM 0 HB3 LYS A 99 18.333 -30.040 -19.113 1.00 4.53 H new ATOM 0 HG2 LYS A 99 16.905 -29.837 -16.903 1.00 22.14 H new ATOM 0 HG3 LYS A 99 15.543 -29.789 -18.005 1.00 22.14 H new ATOM 0 HD2 LYS A 99 17.668 -31.971 -17.983 1.00 65.20 H new ATOM 0 HD3 LYS A 99 16.103 -32.100 -17.204 1.00 65.20 H new ATOM 0 HE2 LYS A 99 15.569 -33.086 -19.212 1.00 73.45 H new ATOM 0 HE3 LYS A 99 15.213 -31.423 -19.634 1.00 73.45 H new ATOM 0 HZ1 LYS A 99 16.787 -32.942 -21.092 1.00 30.24 H new ATOM 0 HZ2 LYS A 99 17.025 -31.265 -20.967 1.00 30.24 H new ATOM 0 HZ3 LYS A 99 17.968 -32.328 -20.038 1.00 30.24 H new TER 1582 LYS A 99