USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 996 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: B 308 HIS : no HD1:sc= 0 X(o=0.21,f=0.21) USER MOD Set 1.2: B 312 SER OG : rot 87:sc= 0.209 USER MOD Set 2.1: A 94 LYS NZ :NH3+ 180:sc= -0.438 (180deg=-0.689) USER MOD Set 2.2: B 304 THR OG1 : rot -91:sc= 1.37 USER MOD Set 3.1: A 96 HIS : no HE2:sc= -0.406 K(o=0.32,f=-1.3) USER MOD Set 3.2: A 100 TYR OH : rot 24:sc= 0.725 USER MOD Set 4.1: A 71 GLN : amide:sc= -0.0847 K(o=-1.1,f=-0.51) USER MOD Set 4.2: A 73 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.28) USER MOD Set 5.1: A 62 MET CE :methyl -147:sc= -0.241 (180deg=-1.89) USER MOD Set 5.2: A 67 TYR OH : rot -19:sc= 1 USER MOD Set 5.3: A 72 GLN : amide:sc= -2.11! C(o=-1.3!,f=-2.5!) USER MOD Set 5.4: B 305 THR OG1 : rot 180:sc= 0.00654 USER MOD Single : A 3 ASN : amide:sc= -0.145 K(o=-0.15,f=0.89) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00134 USER MOD Single : A 5 ASN : amide:sc= -0.267 K(o=-0.27,f=-3.6!) USER MOD Single : A 6 MET CE :methyl 165:sc= -0.0487 (180deg=-0.386) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 49:sc= 0.0511 USER MOD Single : A 15 THR OG1 : rot 48:sc= 0.0654 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0225) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 1.33 (180deg=-0.683!) USER MOD Single : A 40 SER OG : rot 103:sc= 1.31 USER MOD Single : A 44 GLN : amide:sc=-0.00922 X(o=-0.0092,f=-0.052) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 1.18 (180deg=1.07) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 110:sc= -0.224 USER MOD Single : A 49 THR OG1 : rot -81:sc= 1.22 USER MOD Single : A 50 MET CE :methyl -105:sc= -0.142 (180deg=-2.51!) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 2.17 (180deg=1.97) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.162 X(o=0.16,f=-0.3) USER MOD Single : A 60 TYR OH : rot -133:sc= 0.412 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 1.1 (180deg=0.824) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 1:sc= 0.0362 USER MOD Single : A 78 SER OG : rot -56:sc= 1.25 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 SER OG : rot -8:sc= -0.113 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -78:sc= 1.05 USER MOD Single : A 102 MET CE :methyl -172:sc= -1.43 (180deg=-1.66) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.39 K(o=-0.39,f=-5.6!) USER MOD Single : B 311 SER OG : rot 118:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 23.072 2.165 27.077 1.00 1.00 N ATOM 2 CA ASN A 3 24.349 2.865 27.010 1.00 64.21 C ATOM 3 C ASN A 3 25.455 1.867 26.816 1.00 1.42 C ATOM 4 O ASN A 3 25.387 0.739 27.319 1.00 73.22 O ATOM 5 CB ASN A 3 24.615 3.681 28.290 1.00 71.21 C ATOM 6 CG ASN A 3 23.614 4.800 28.513 1.00 24.41 C ATOM 7 OD1 ASN A 3 22.468 4.727 28.069 1.00 11.41 O ATOM 8 ND2 ASN A 3 24.015 5.822 29.225 1.00 41.45 N ATOM 0 HA ASN A 3 24.312 3.557 26.169 1.00 64.21 H new ATOM 0 HB2 ASN A 3 24.596 3.011 29.149 1.00 71.21 H new ATOM 0 HB3 ASN A 3 25.618 4.106 28.239 1.00 71.21 H new ATOM 0 HD21 ASN A 3 23.371 6.587 29.426 1.00 41.45 H new ATOM 0 HD22 ASN A 3 24.971 5.853 29.579 1.00 41.45 H new ATOM 17 N THR A 4 26.433 2.240 26.058 1.00 21.23 N ATOM 18 CA THR A 4 27.586 1.437 25.836 1.00 20.42 C ATOM 19 C THR A 4 28.786 2.377 25.724 1.00 62.42 C ATOM 20 O THR A 4 28.923 3.119 24.736 1.00 2.41 O ATOM 21 CB THR A 4 27.441 0.602 24.535 1.00 43.05 C ATOM 22 OG1 THR A 4 26.187 -0.107 24.551 1.00 52.05 O ATOM 23 CG2 THR A 4 28.574 -0.409 24.409 1.00 0.45 C ATOM 0 H THR A 4 26.451 3.133 25.565 1.00 21.23 H new ATOM 0 HA THR A 4 27.716 0.736 26.661 1.00 20.42 H new ATOM 0 HB THR A 4 27.478 1.286 23.687 1.00 43.05 H new ATOM 0 HG1 THR A 4 26.097 -0.632 23.728 1.00 52.05 H new ATOM 0 HG21 THR A 4 28.450 -0.982 23.490 1.00 0.45 H new ATOM 0 HG22 THR A 4 29.529 0.116 24.384 1.00 0.45 H new ATOM 0 HG23 THR A 4 28.555 -1.086 25.263 1.00 0.45 H new ATOM 31 N ASN A 5 29.607 2.413 26.750 1.00 20.55 N ATOM 32 CA ASN A 5 30.781 3.267 26.731 1.00 31.42 C ATOM 33 C ASN A 5 31.940 2.557 26.069 1.00 64.24 C ATOM 34 O ASN A 5 32.944 3.174 25.716 1.00 43.23 O ATOM 35 CB ASN A 5 31.155 3.830 28.134 1.00 31.43 C ATOM 36 CG ASN A 5 31.581 2.801 29.185 1.00 2.30 C ATOM 37 OD1 ASN A 5 32.170 1.763 28.889 1.00 54.43 O ATOM 38 ND2 ASN A 5 31.291 3.095 30.419 1.00 40.12 N ATOM 0 H ASN A 5 29.488 1.867 27.603 1.00 20.55 H new ATOM 0 HA ASN A 5 30.532 4.143 26.132 1.00 31.42 H new ATOM 0 HB2 ASN A 5 31.965 4.548 28.010 1.00 31.43 H new ATOM 0 HB3 ASN A 5 30.298 4.381 28.522 1.00 31.43 H new ATOM 0 HD21 ASN A 5 31.553 2.457 31.170 1.00 40.12 H new ATOM 0 HD22 ASN A 5 30.802 3.964 30.635 1.00 40.12 H new ATOM 45 N MET A 6 31.806 1.250 25.913 1.00 50.32 N ATOM 46 CA MET A 6 32.777 0.466 25.183 1.00 55.35 C ATOM 47 C MET A 6 32.605 0.745 23.709 1.00 55.10 C ATOM 48 O MET A 6 31.683 0.230 23.066 1.00 33.22 O ATOM 49 CB MET A 6 32.622 -1.040 25.448 1.00 43.32 C ATOM 50 CG MET A 6 32.929 -1.477 26.872 1.00 31.30 C ATOM 51 SD MET A 6 32.628 -3.245 27.145 1.00 50.44 S ATOM 52 CE MET A 6 33.824 -3.991 26.032 1.00 54.43 C ATOM 0 H MET A 6 31.026 0.710 26.287 1.00 50.32 H new ATOM 0 HA MET A 6 33.774 0.750 25.519 1.00 55.35 H new ATOM 0 HB2 MET A 6 31.600 -1.333 25.206 1.00 43.32 H new ATOM 0 HB3 MET A 6 33.278 -1.583 24.768 1.00 43.32 H new ATOM 0 HG2 MET A 6 33.971 -1.251 27.100 1.00 31.30 H new ATOM 0 HG3 MET A 6 32.318 -0.898 27.565 1.00 31.30 H new ATOM 0 HE1 MET A 6 33.943 -5.046 26.280 1.00 54.43 H new ATOM 0 HE2 MET A 6 33.472 -3.898 25.004 1.00 54.43 H new ATOM 0 HE3 MET A 6 34.783 -3.483 26.135 1.00 54.43 H new ATOM 62 N SER A 7 33.416 1.618 23.201 1.00 73.11 N ATOM 63 CA SER A 7 33.373 1.978 21.824 1.00 53.24 C ATOM 64 C SER A 7 34.054 0.894 20.992 1.00 5.33 C ATOM 65 O SER A 7 35.290 0.823 20.916 1.00 12.05 O ATOM 66 CB SER A 7 34.049 3.333 21.653 1.00 51.30 C ATOM 67 OG SER A 7 33.513 4.260 22.604 1.00 14.32 O ATOM 0 H SER A 7 34.133 2.105 23.738 1.00 73.11 H new ATOM 0 HA SER A 7 32.343 2.060 21.477 1.00 53.24 H new ATOM 0 HB2 SER A 7 35.125 3.234 21.793 1.00 51.30 H new ATOM 0 HB3 SER A 7 33.892 3.704 20.640 1.00 51.30 H new ATOM 0 HG SER A 7 33.950 5.130 22.494 1.00 14.32 H new ATOM 73 N VAL A 8 33.260 0.000 20.460 1.00 21.31 N ATOM 74 CA VAL A 8 33.763 -1.074 19.655 1.00 5.42 C ATOM 75 C VAL A 8 33.117 -1.073 18.287 1.00 40.44 C ATOM 76 O VAL A 8 31.920 -0.763 18.154 1.00 42.14 O ATOM 77 CB VAL A 8 33.590 -2.480 20.309 1.00 10.22 C ATOM 78 CG1 VAL A 8 34.477 -2.628 21.528 1.00 74.14 C ATOM 79 CG2 VAL A 8 32.133 -2.767 20.665 1.00 45.33 C ATOM 0 H VAL A 8 32.247 -0.000 20.575 1.00 21.31 H new ATOM 0 HA VAL A 8 34.834 -0.892 19.563 1.00 5.42 H new ATOM 0 HB VAL A 8 33.899 -3.217 19.568 1.00 10.22 H new ATOM 0 HG11 VAL A 8 34.335 -3.617 21.963 1.00 74.14 H new ATOM 0 HG12 VAL A 8 35.520 -2.506 21.236 1.00 74.14 H new ATOM 0 HG13 VAL A 8 34.215 -1.867 22.263 1.00 74.14 H new ATOM 0 HG21 VAL A 8 32.057 -3.756 21.118 1.00 45.33 H new ATOM 0 HG22 VAL A 8 31.776 -2.017 21.370 1.00 45.33 H new ATOM 0 HG23 VAL A 8 31.524 -2.734 19.761 1.00 45.33 H new ATOM 89 N PRO A 9 33.898 -1.364 17.256 1.00 74.40 N ATOM 90 CA PRO A 9 33.387 -1.489 15.902 1.00 52.31 C ATOM 91 C PRO A 9 32.358 -2.617 15.825 1.00 2.24 C ATOM 92 O PRO A 9 32.563 -3.710 16.390 1.00 32.11 O ATOM 93 CB PRO A 9 34.621 -1.861 15.063 1.00 13.22 C ATOM 94 CG PRO A 9 35.804 -1.523 15.905 1.00 22.03 C ATOM 95 CD PRO A 9 35.351 -1.578 17.334 1.00 41.32 C ATOM 0 HA PRO A 9 32.897 -0.578 15.559 1.00 52.31 H new ATOM 0 HB2 PRO A 9 34.614 -2.920 14.806 1.00 13.22 H new ATOM 0 HB3 PRO A 9 34.638 -1.306 14.125 1.00 13.22 H new ATOM 0 HG2 PRO A 9 36.617 -2.228 15.730 1.00 22.03 H new ATOM 0 HG3 PRO A 9 36.183 -0.531 15.658 1.00 22.03 H new ATOM 0 HD2 PRO A 9 35.589 -2.538 17.791 1.00 41.32 H new ATOM 0 HD3 PRO A 9 35.836 -0.810 17.936 1.00 41.32 H new ATOM 103 N THR A 10 31.252 -2.364 15.179 1.00 55.24 N ATOM 104 CA THR A 10 30.258 -3.372 15.015 1.00 33.05 C ATOM 105 C THR A 10 30.615 -4.279 13.842 1.00 33.12 C ATOM 106 O THR A 10 30.187 -4.060 12.705 1.00 40.24 O ATOM 107 CB THR A 10 28.845 -2.771 14.878 1.00 53.43 C ATOM 108 OG1 THR A 10 28.850 -1.692 13.910 1.00 13.43 O ATOM 109 CG2 THR A 10 28.355 -2.250 16.220 1.00 1.43 C ATOM 0 H THR A 10 31.023 -1.463 14.759 1.00 55.24 H new ATOM 0 HA THR A 10 30.240 -3.983 15.918 1.00 33.05 H new ATOM 0 HB THR A 10 28.171 -3.557 14.536 1.00 53.43 H new ATOM 0 HG1 THR A 10 29.306 -1.987 13.094 1.00 13.43 H new ATOM 0 HG21 THR A 10 27.356 -1.829 16.104 1.00 1.43 H new ATOM 0 HG22 THR A 10 28.323 -3.069 16.939 1.00 1.43 H new ATOM 0 HG23 THR A 10 29.034 -1.478 16.580 1.00 1.43 H new ATOM 117 N ASP A 11 31.478 -5.235 14.124 1.00 22.24 N ATOM 118 CA ASP A 11 31.979 -6.153 13.129 1.00 52.52 C ATOM 119 C ASP A 11 31.005 -7.268 12.910 1.00 21.43 C ATOM 120 O ASP A 11 30.855 -8.174 13.758 1.00 1.43 O ATOM 121 CB ASP A 11 33.325 -6.730 13.540 1.00 60.33 C ATOM 122 CG ASP A 11 33.941 -7.602 12.461 1.00 32.54 C ATOM 123 OD1 ASP A 11 34.547 -7.052 11.520 1.00 11.52 O ATOM 124 OD2 ASP A 11 33.839 -8.854 12.536 1.00 72.40 O ATOM 0 H ASP A 11 31.852 -5.395 15.059 1.00 22.24 H new ATOM 0 HA ASP A 11 32.108 -5.596 12.201 1.00 52.52 H new ATOM 0 HB2 ASP A 11 34.008 -5.915 13.777 1.00 60.33 H new ATOM 0 HB3 ASP A 11 33.202 -7.317 14.450 1.00 60.33 H new ATOM 129 N GLY A 12 30.333 -7.197 11.825 1.00 24.21 N ATOM 130 CA GLY A 12 29.383 -8.176 11.478 1.00 13.41 C ATOM 131 C GLY A 12 29.119 -8.102 10.023 1.00 44.33 C ATOM 132 O GLY A 12 29.648 -7.208 9.346 1.00 44.55 O ATOM 0 H GLY A 12 30.430 -6.444 11.143 1.00 24.21 H new ATOM 0 HA2 GLY A 12 29.751 -9.167 11.743 1.00 13.41 H new ATOM 0 HA3 GLY A 12 28.460 -8.019 12.036 1.00 13.41 H new ATOM 136 N ALA A 13 28.316 -8.991 9.529 1.00 25.35 N ATOM 137 CA ALA A 13 27.996 -9.010 8.137 1.00 53.32 C ATOM 138 C ALA A 13 26.925 -7.981 7.843 1.00 12.11 C ATOM 139 O ALA A 13 25.720 -8.269 7.859 1.00 52.51 O ATOM 140 CB ALA A 13 27.574 -10.399 7.681 1.00 34.21 C ATOM 0 H ALA A 13 27.865 -9.723 10.078 1.00 25.35 H new ATOM 0 HA ALA A 13 28.891 -8.751 7.571 1.00 53.32 H new ATOM 0 HB1 ALA A 13 27.338 -10.377 6.617 1.00 34.21 H new ATOM 0 HB2 ALA A 13 28.388 -11.103 7.857 1.00 34.21 H new ATOM 0 HB3 ALA A 13 26.694 -10.714 8.241 1.00 34.21 H new ATOM 146 N VAL A 14 27.358 -6.774 7.686 1.00 54.25 N ATOM 147 CA VAL A 14 26.493 -5.690 7.358 1.00 44.45 C ATOM 148 C VAL A 14 26.751 -5.263 5.936 1.00 64.41 C ATOM 149 O VAL A 14 27.822 -4.746 5.595 1.00 53.45 O ATOM 150 CB VAL A 14 26.604 -4.493 8.361 1.00 44.03 C ATOM 151 CG1 VAL A 14 26.012 -4.881 9.706 1.00 13.21 C ATOM 152 CG2 VAL A 14 28.054 -4.052 8.554 1.00 42.41 C ATOM 0 H VAL A 14 28.338 -6.509 7.784 1.00 54.25 H new ATOM 0 HA VAL A 14 25.464 -6.038 7.446 1.00 44.45 H new ATOM 0 HB VAL A 14 26.046 -3.658 7.938 1.00 44.03 H new ATOM 0 HG11 VAL A 14 26.095 -4.041 10.396 1.00 13.21 H new ATOM 0 HG12 VAL A 14 24.962 -5.144 9.579 1.00 13.21 H new ATOM 0 HG13 VAL A 14 26.554 -5.736 10.109 1.00 13.21 H new ATOM 0 HG21 VAL A 14 28.091 -3.219 9.257 1.00 42.41 H new ATOM 0 HG22 VAL A 14 28.638 -4.884 8.947 1.00 42.41 H new ATOM 0 HG23 VAL A 14 28.469 -3.737 7.597 1.00 42.41 H new ATOM 162 N THR A 15 25.822 -5.556 5.089 1.00 62.35 N ATOM 163 CA THR A 15 25.957 -5.233 3.714 1.00 70.21 C ATOM 164 C THR A 15 24.773 -4.426 3.229 1.00 24.34 C ATOM 165 O THR A 15 23.739 -4.979 2.862 1.00 4.22 O ATOM 166 CB THR A 15 26.166 -6.507 2.855 1.00 71.00 C ATOM 167 OG1 THR A 15 25.219 -7.518 3.236 1.00 53.52 O ATOM 168 CG2 THR A 15 27.572 -7.053 3.023 1.00 33.25 C ATOM 0 H THR A 15 24.950 -6.026 5.333 1.00 62.35 H new ATOM 0 HA THR A 15 26.848 -4.615 3.601 1.00 70.21 H new ATOM 0 HB THR A 15 26.017 -6.235 1.810 1.00 71.00 H new ATOM 0 HG1 THR A 15 24.322 -7.126 3.281 1.00 53.52 H new ATOM 0 HG21 THR A 15 27.691 -7.946 2.410 1.00 33.25 H new ATOM 0 HG22 THR A 15 28.295 -6.299 2.711 1.00 33.25 H new ATOM 0 HG23 THR A 15 27.741 -7.306 4.070 1.00 33.25 H new ATOM 176 N THR A 16 24.894 -3.129 3.293 1.00 34.01 N ATOM 177 CA THR A 16 23.851 -2.276 2.823 1.00 62.33 C ATOM 178 C THR A 16 24.211 -1.721 1.445 1.00 62.33 C ATOM 179 O THR A 16 23.592 -2.090 0.439 1.00 4.14 O ATOM 180 CB THR A 16 23.561 -1.130 3.814 1.00 32.31 C ATOM 181 OG1 THR A 16 23.317 -1.682 5.116 1.00 45.44 O ATOM 182 CG2 THR A 16 22.332 -0.349 3.379 1.00 52.43 C ATOM 0 H THR A 16 25.709 -2.643 3.668 1.00 34.01 H new ATOM 0 HA THR A 16 22.941 -2.870 2.741 1.00 62.33 H new ATOM 0 HB THR A 16 24.422 -0.462 3.837 1.00 32.31 H new ATOM 0 HG1 THR A 16 23.134 -0.957 5.750 1.00 45.44 H new ATOM 0 HG21 THR A 16 22.142 0.456 4.089 1.00 52.43 H new ATOM 0 HG22 THR A 16 22.501 0.074 2.389 1.00 52.43 H new ATOM 0 HG23 THR A 16 21.470 -1.015 3.347 1.00 52.43 H new ATOM 190 N SER A 17 25.237 -0.910 1.377 1.00 53.04 N ATOM 191 CA SER A 17 25.614 -0.302 0.127 1.00 52.10 C ATOM 192 C SER A 17 26.596 -1.171 -0.654 1.00 61.15 C ATOM 193 O SER A 17 26.547 -1.229 -1.888 1.00 12.35 O ATOM 194 CB SER A 17 26.199 1.083 0.379 1.00 13.42 C ATOM 195 OG SER A 17 25.279 1.893 1.106 1.00 72.44 O ATOM 0 H SER A 17 25.825 -0.656 2.171 1.00 53.04 H new ATOM 0 HA SER A 17 24.717 -0.205 -0.484 1.00 52.10 H new ATOM 0 HB2 SER A 17 27.132 0.994 0.936 1.00 13.42 H new ATOM 0 HB3 SER A 17 26.440 1.560 -0.571 1.00 13.42 H new ATOM 0 HG SER A 17 25.672 2.777 1.260 1.00 72.44 H new ATOM 201 N GLN A 18 27.459 -1.867 0.041 1.00 32.21 N ATOM 202 CA GLN A 18 28.474 -2.650 -0.624 1.00 74.22 C ATOM 203 C GLN A 18 28.404 -4.106 -0.232 1.00 44.22 C ATOM 204 O GLN A 18 27.701 -4.481 0.718 1.00 45.43 O ATOM 205 CB GLN A 18 29.866 -2.102 -0.313 1.00 3.15 C ATOM 206 CG GLN A 18 30.091 -0.677 -0.776 1.00 61.15 C ATOM 207 CD GLN A 18 31.470 -0.167 -0.438 1.00 34.22 C ATOM 208 OE1 GLN A 18 32.408 -0.296 -1.222 1.00 45.24 O ATOM 209 NE2 GLN A 18 31.607 0.421 0.709 1.00 0.13 N ATOM 0 H GLN A 18 27.482 -1.909 1.060 1.00 32.21 H new ATOM 0 HA GLN A 18 28.286 -2.576 -1.695 1.00 74.22 H new ATOM 0 HB2 GLN A 18 30.032 -2.153 0.763 1.00 3.15 H new ATOM 0 HB3 GLN A 18 30.611 -2.746 -0.781 1.00 3.15 H new ATOM 0 HG2 GLN A 18 29.942 -0.622 -1.854 1.00 61.15 H new ATOM 0 HG3 GLN A 18 29.345 -0.028 -0.317 1.00 61.15 H new ATOM 0 HE21 GLN A 18 30.807 0.510 1.335 1.00 0.13 H new ATOM 0 HE22 GLN A 18 32.515 0.794 0.986 1.00 0.13 H new ATOM 218 N ILE A 19 29.080 -4.903 -1.000 1.00 44.01 N ATOM 219 CA ILE A 19 29.275 -6.305 -0.757 1.00 23.43 C ATOM 220 C ILE A 19 30.785 -6.457 -0.616 1.00 41.50 C ATOM 221 O ILE A 19 31.522 -5.798 -1.361 1.00 14.42 O ATOM 222 CB ILE A 19 28.753 -7.157 -1.967 1.00 12.45 C ATOM 223 CG1 ILE A 19 27.255 -6.886 -2.206 1.00 22.44 C ATOM 224 CG2 ILE A 19 28.999 -8.654 -1.759 1.00 51.15 C ATOM 225 CD1 ILE A 19 26.667 -7.617 -3.398 1.00 62.31 C ATOM 0 H ILE A 19 29.534 -4.581 -1.855 1.00 44.01 H new ATOM 0 HA ILE A 19 28.733 -6.651 0.123 1.00 23.43 H new ATOM 0 HB ILE A 19 29.315 -6.853 -2.850 1.00 12.45 H new ATOM 0 HG12 ILE A 19 26.700 -7.170 -1.312 1.00 22.44 H new ATOM 0 HG13 ILE A 19 27.110 -5.815 -2.345 1.00 22.44 H new ATOM 0 HG21 ILE A 19 28.623 -9.208 -2.619 1.00 51.15 H new ATOM 0 HG22 ILE A 19 30.068 -8.835 -1.650 1.00 51.15 H new ATOM 0 HG23 ILE A 19 28.481 -8.986 -0.859 1.00 51.15 H new ATOM 0 HD11 ILE A 19 25.610 -7.369 -3.492 1.00 62.31 H new ATOM 0 HD12 ILE A 19 27.192 -7.316 -4.305 1.00 62.31 H new ATOM 0 HD13 ILE A 19 26.776 -8.692 -3.255 1.00 62.31 H new ATOM 237 N PRO A 20 31.269 -7.240 0.359 1.00 42.12 N ATOM 238 CA PRO A 20 32.704 -7.383 0.627 1.00 24.14 C ATOM 239 C PRO A 20 33.500 -7.780 -0.610 1.00 41.43 C ATOM 240 O PRO A 20 33.110 -8.697 -1.351 1.00 54.35 O ATOM 241 CB PRO A 20 32.784 -8.489 1.691 1.00 53.30 C ATOM 242 CG PRO A 20 31.426 -9.098 1.740 1.00 1.42 C ATOM 243 CD PRO A 20 30.469 -8.049 1.276 1.00 14.14 C ATOM 0 HA PRO A 20 33.137 -6.437 0.951 1.00 24.14 H new ATOM 0 HB2 PRO A 20 33.537 -9.232 1.428 1.00 53.30 H new ATOM 0 HB3 PRO A 20 33.065 -8.080 2.661 1.00 53.30 H new ATOM 0 HG2 PRO A 20 31.374 -9.980 1.101 1.00 1.42 H new ATOM 0 HG3 PRO A 20 31.184 -9.423 2.752 1.00 1.42 H new ATOM 0 HD2 PRO A 20 29.605 -8.487 0.776 1.00 14.14 H new ATOM 0 HD3 PRO A 20 30.089 -7.456 2.108 1.00 14.14 H new ATOM 251 N ALA A 21 34.579 -7.065 -0.857 1.00 65.43 N ATOM 252 CA ALA A 21 35.445 -7.363 -1.971 1.00 14.44 C ATOM 253 C ALA A 21 36.239 -8.615 -1.660 1.00 3.11 C ATOM 254 O ALA A 21 37.297 -8.562 -1.028 1.00 3.25 O ATOM 255 CB ALA A 21 36.365 -6.187 -2.282 1.00 30.13 C ATOM 0 H ALA A 21 34.875 -6.268 -0.294 1.00 65.43 H new ATOM 0 HA ALA A 21 34.839 -7.537 -2.860 1.00 14.44 H new ATOM 0 HB1 ALA A 21 37.006 -6.440 -3.126 1.00 30.13 H new ATOM 0 HB2 ALA A 21 35.765 -5.312 -2.532 1.00 30.13 H new ATOM 0 HB3 ALA A 21 36.982 -5.967 -1.411 1.00 30.13 H new ATOM 261 N SER A 22 35.676 -9.733 -2.009 1.00 30.10 N ATOM 262 CA SER A 22 36.266 -11.000 -1.746 1.00 45.52 C ATOM 263 C SER A 22 36.037 -11.926 -2.922 1.00 75.41 C ATOM 264 O SER A 22 34.892 -12.242 -3.278 1.00 42.35 O ATOM 265 CB SER A 22 35.638 -11.598 -0.494 1.00 50.13 C ATOM 266 OG SER A 22 35.731 -10.700 0.610 1.00 10.35 O ATOM 0 H SER A 22 34.779 -9.785 -2.492 1.00 30.10 H new ATOM 0 HA SER A 22 37.338 -10.876 -1.593 1.00 45.52 H new ATOM 0 HB2 SER A 22 34.591 -11.834 -0.686 1.00 50.13 H new ATOM 0 HB3 SER A 22 36.136 -12.535 -0.246 1.00 50.13 H new ATOM 0 HG SER A 22 35.319 -11.109 1.400 1.00 10.35 H new ATOM 272 N GLU A 23 37.097 -12.310 -3.550 1.00 72.13 N ATOM 273 CA GLU A 23 37.035 -13.250 -4.624 1.00 51.30 C ATOM 274 C GLU A 23 37.548 -14.566 -4.120 1.00 35.14 C ATOM 275 O GLU A 23 38.348 -14.584 -3.177 1.00 1.53 O ATOM 276 CB GLU A 23 37.869 -12.761 -5.795 1.00 40.41 C ATOM 277 CG GLU A 23 37.347 -11.476 -6.398 1.00 65.24 C ATOM 278 CD GLU A 23 38.225 -10.948 -7.485 1.00 41.23 C ATOM 279 OE1 GLU A 23 38.277 -11.557 -8.572 1.00 64.50 O ATOM 280 OE2 GLU A 23 38.852 -9.889 -7.287 1.00 12.14 O ATOM 0 H GLU A 23 38.038 -11.980 -3.333 1.00 72.13 H new ATOM 0 HA GLU A 23 36.008 -13.363 -4.972 1.00 51.30 H new ATOM 0 HB2 GLU A 23 38.896 -12.609 -5.464 1.00 40.41 H new ATOM 0 HB3 GLU A 23 37.893 -13.533 -6.564 1.00 40.41 H new ATOM 0 HG2 GLU A 23 36.347 -11.647 -6.796 1.00 65.24 H new ATOM 0 HG3 GLU A 23 37.254 -10.724 -5.615 1.00 65.24 H new ATOM 287 N GLN A 24 37.078 -15.658 -4.697 1.00 53.33 N ATOM 288 CA GLN A 24 37.545 -16.971 -4.299 1.00 25.11 C ATOM 289 C GLN A 24 39.022 -17.056 -4.598 1.00 21.45 C ATOM 290 O GLN A 24 39.443 -16.846 -5.760 1.00 14.43 O ATOM 291 CB GLN A 24 36.787 -18.085 -5.023 1.00 75.42 C ATOM 292 CG GLN A 24 35.297 -18.123 -4.737 1.00 1.02 C ATOM 293 CD GLN A 24 34.595 -19.200 -5.533 1.00 43.30 C ATOM 294 OE1 GLN A 24 34.137 -18.958 -6.651 1.00 22.24 O ATOM 295 NE2 GLN A 24 34.494 -20.378 -4.983 1.00 2.23 N ATOM 0 H GLN A 24 36.377 -15.661 -5.438 1.00 53.33 H new ATOM 0 HA GLN A 24 37.364 -17.108 -3.233 1.00 25.11 H new ATOM 0 HB2 GLN A 24 36.935 -17.969 -6.097 1.00 75.42 H new ATOM 0 HB3 GLN A 24 37.222 -19.044 -4.743 1.00 75.42 H new ATOM 0 HG2 GLN A 24 35.136 -18.296 -3.673 1.00 1.02 H new ATOM 0 HG3 GLN A 24 34.858 -17.154 -4.972 1.00 1.02 H new ATOM 0 HE21 GLN A 24 34.885 -20.543 -4.055 1.00 2.23 H new ATOM 0 HE22 GLN A 24 34.024 -21.134 -5.480 1.00 2.23 H new ATOM 304 N GLU A 25 39.799 -17.294 -3.553 1.00 20.02 N ATOM 305 CA GLU A 25 41.238 -17.331 -3.630 1.00 11.33 C ATOM 306 C GLU A 25 41.683 -18.351 -4.642 1.00 22.14 C ATOM 307 O GLU A 25 41.467 -19.553 -4.478 1.00 34.32 O ATOM 308 CB GLU A 25 41.842 -17.605 -2.259 1.00 63.05 C ATOM 309 CG GLU A 25 41.450 -16.577 -1.218 1.00 74.12 C ATOM 310 CD GLU A 25 42.073 -16.830 0.125 1.00 42.43 C ATOM 311 OE1 GLU A 25 41.666 -17.795 0.820 1.00 41.50 O ATOM 312 OE2 GLU A 25 42.931 -16.048 0.541 1.00 53.42 O ATOM 0 H GLU A 25 39.435 -17.469 -2.616 1.00 20.02 H new ATOM 0 HA GLU A 25 41.596 -16.356 -3.959 1.00 11.33 H new ATOM 0 HB2 GLU A 25 41.528 -18.593 -1.921 1.00 63.05 H new ATOM 0 HB3 GLU A 25 42.928 -17.629 -2.346 1.00 63.05 H new ATOM 0 HG2 GLU A 25 41.742 -15.586 -1.566 1.00 74.12 H new ATOM 0 HG3 GLU A 25 40.365 -16.571 -1.113 1.00 74.12 H new ATOM 319 N THR A 26 42.243 -17.852 -5.703 1.00 51.52 N ATOM 320 CA THR A 26 42.671 -18.643 -6.801 1.00 53.31 C ATOM 321 C THR A 26 43.879 -19.506 -6.432 1.00 53.35 C ATOM 322 O THR A 26 44.905 -18.999 -5.941 1.00 30.52 O ATOM 323 CB THR A 26 43.016 -17.711 -7.974 1.00 42.31 C ATOM 324 OG1 THR A 26 41.893 -16.835 -8.195 1.00 20.15 O ATOM 325 CG2 THR A 26 43.291 -18.497 -9.246 1.00 70.41 C ATOM 0 H THR A 26 42.416 -16.854 -5.825 1.00 51.52 H new ATOM 0 HA THR A 26 41.866 -19.320 -7.086 1.00 53.31 H new ATOM 0 HB THR A 26 43.915 -17.147 -7.726 1.00 42.31 H new ATOM 0 HG1 THR A 26 42.092 -16.229 -8.939 1.00 20.15 H new ATOM 0 HG21 THR A 26 43.532 -17.807 -10.055 1.00 70.41 H new ATOM 0 HG22 THR A 26 44.131 -19.172 -9.082 1.00 70.41 H new ATOM 0 HG23 THR A 26 42.407 -19.076 -9.514 1.00 70.41 H new ATOM 333 N LEU A 27 43.712 -20.797 -6.598 1.00 5.11 N ATOM 334 CA LEU A 27 44.781 -21.741 -6.448 1.00 60.50 C ATOM 335 C LEU A 27 45.694 -21.559 -7.627 1.00 75.55 C ATOM 336 O LEU A 27 45.228 -21.455 -8.764 1.00 13.21 O ATOM 337 CB LEU A 27 44.225 -23.169 -6.422 1.00 70.13 C ATOM 338 CG LEU A 27 43.303 -23.492 -5.250 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.635 -24.839 -5.438 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.075 -23.483 -3.953 1.00 40.21 C ATOM 0 H LEU A 27 42.817 -21.221 -6.844 1.00 5.11 H new ATOM 0 HA LEU A 27 45.317 -21.578 -5.513 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.681 -23.346 -7.350 1.00 70.13 H new ATOM 0 HB3 LEU A 27 45.063 -23.866 -6.406 1.00 70.13 H new ATOM 0 HG LEU A 27 42.531 -22.724 -5.212 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.984 -25.044 -4.588 1.00 0.21 H new ATOM 0 HD12 LEU A 27 42.044 -24.827 -6.354 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.396 -25.616 -5.507 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.402 -23.715 -3.127 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.868 -24.230 -3.996 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.513 -22.497 -3.797 1.00 40.21 H new ATOM 352 N VAL A 28 46.952 -21.526 -7.389 1.00 40.25 N ATOM 353 CA VAL A 28 47.884 -21.230 -8.434 1.00 11.42 C ATOM 354 C VAL A 28 48.505 -22.497 -8.991 1.00 51.22 C ATOM 355 O VAL A 28 48.583 -23.531 -8.311 1.00 23.41 O ATOM 356 CB VAL A 28 48.986 -20.244 -7.946 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.352 -18.969 -7.401 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.882 -20.872 -6.890 1.00 61.10 C ATOM 0 H VAL A 28 47.372 -21.700 -6.476 1.00 40.25 H new ATOM 0 HA VAL A 28 47.331 -20.744 -9.238 1.00 11.42 H new ATOM 0 HB VAL A 28 49.609 -19.999 -8.807 1.00 72.31 H new ATOM 0 HG11 VAL A 28 49.134 -18.289 -7.064 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.768 -18.489 -8.186 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.700 -19.216 -6.563 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.637 -20.150 -6.577 1.00 61.10 H new ATOM 0 HG22 VAL A 28 49.280 -21.164 -6.029 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.372 -21.752 -7.306 1.00 61.10 H new ATOM 368 N ARG A 29 48.881 -22.420 -10.238 1.00 35.24 N ATOM 369 CA ARG A 29 49.486 -23.522 -10.941 1.00 74.24 C ATOM 370 C ARG A 29 50.990 -23.460 -10.781 1.00 40.32 C ATOM 371 O ARG A 29 51.599 -22.438 -11.078 1.00 20.51 O ATOM 372 CB ARG A 29 49.138 -23.474 -12.425 1.00 11.01 C ATOM 373 CG ARG A 29 47.655 -23.552 -12.743 1.00 63.52 C ATOM 374 CD ARG A 29 47.017 -24.794 -12.152 1.00 40.33 C ATOM 375 NE ARG A 29 47.709 -26.024 -12.545 1.00 65.21 N ATOM 376 CZ ARG A 29 47.390 -27.246 -12.106 1.00 15.23 C ATOM 377 NH1 ARG A 29 46.241 -27.450 -11.471 1.00 52.24 N ATOM 378 NH2 ARG A 29 48.188 -28.264 -12.355 1.00 32.15 N ATOM 0 H ARG A 29 48.775 -21.578 -10.804 1.00 35.24 H new ATOM 0 HA ARG A 29 49.103 -24.452 -10.520 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.536 -22.550 -12.846 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.645 -24.297 -12.928 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.153 -22.666 -12.355 1.00 63.52 H new ATOM 0 HG3 ARG A 29 47.514 -23.550 -13.824 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.014 -24.714 -11.065 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.976 -24.850 -12.470 1.00 40.33 H new ATOM 0 HE ARG A 29 48.488 -25.943 -13.199 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.599 -26.673 -11.317 1.00 52.24 H new ATOM 0 HH12 ARG A 29 46.001 -28.384 -11.138 1.00 52.24 H new ATOM 0 HH21 ARG A 29 49.049 -28.120 -12.883 1.00 32.15 H new ATOM 0 HH22 ARG A 29 47.945 -29.196 -12.020 1.00 32.15 H new ATOM 392 N PRO A 30 51.603 -24.521 -10.293 1.00 1.41 N ATOM 393 CA PRO A 30 53.026 -24.552 -10.080 1.00 43.14 C ATOM 394 C PRO A 30 53.820 -25.152 -11.255 1.00 24.23 C ATOM 395 O PRO A 30 53.272 -25.528 -12.306 1.00 23.12 O ATOM 396 CB PRO A 30 53.141 -25.461 -8.864 1.00 54.02 C ATOM 397 CG PRO A 30 52.023 -26.452 -9.026 1.00 53.23 C ATOM 398 CD PRO A 30 50.963 -25.787 -9.870 1.00 55.33 C ATOM 0 HA PRO A 30 53.439 -23.550 -9.963 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.110 -25.958 -8.831 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.040 -24.897 -7.936 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.382 -27.363 -9.505 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.619 -26.740 -8.055 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.687 -26.403 -10.726 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.052 -25.605 -9.300 1.00 55.33 H new ATOM 406 N LYS A 31 55.111 -25.219 -11.050 1.00 71.41 N ATOM 407 CA LYS A 31 56.049 -25.846 -11.950 1.00 13.12 C ATOM 408 C LYS A 31 56.771 -26.884 -11.100 1.00 60.43 C ATOM 409 O LYS A 31 56.690 -26.787 -9.864 1.00 12.54 O ATOM 410 CB LYS A 31 57.071 -24.811 -12.492 1.00 45.42 C ATOM 411 CG LYS A 31 56.471 -23.640 -13.268 1.00 33.03 C ATOM 412 CD LYS A 31 57.568 -22.712 -13.785 1.00 44.22 C ATOM 413 CE LYS A 31 57.005 -21.504 -14.538 1.00 72.11 C ATOM 414 NZ LYS A 31 56.267 -21.878 -15.767 1.00 53.45 N ATOM 0 H LYS A 31 55.555 -24.824 -10.221 1.00 71.41 H new ATOM 0 HA LYS A 31 55.548 -26.282 -12.814 1.00 13.12 H new ATOM 0 HB2 LYS A 31 57.640 -24.414 -11.652 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.778 -25.329 -13.140 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.883 -24.016 -14.105 1.00 33.03 H new ATOM 0 HG3 LYS A 31 55.790 -23.082 -12.625 1.00 33.03 H new ATOM 0 HD2 LYS A 31 58.171 -22.365 -12.946 1.00 44.22 H new ATOM 0 HD3 LYS A 31 58.231 -23.271 -14.445 1.00 44.22 H new ATOM 0 HE2 LYS A 31 56.340 -20.949 -13.877 1.00 72.11 H new ATOM 0 HE3 LYS A 31 57.823 -20.834 -14.802 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.969 -21.017 -16.268 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 56.885 -22.442 -16.385 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 55.429 -22.438 -15.512 1.00 53.45 H new ATOM 428 N PRO A 32 57.486 -27.873 -11.694 1.00 4.31 N ATOM 429 CA PRO A 32 58.234 -28.898 -10.926 1.00 5.12 C ATOM 430 C PRO A 32 59.200 -28.260 -9.933 1.00 74.20 C ATOM 431 O PRO A 32 59.401 -28.755 -8.831 1.00 50.13 O ATOM 432 CB PRO A 32 59.016 -29.660 -12.013 1.00 54.05 C ATOM 433 CG PRO A 32 58.956 -28.776 -13.211 1.00 52.24 C ATOM 434 CD PRO A 32 57.617 -28.117 -13.139 1.00 71.25 C ATOM 0 HA PRO A 32 57.576 -29.534 -10.334 1.00 5.12 H new ATOM 0 HB2 PRO A 32 60.046 -29.842 -11.706 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.567 -30.633 -12.215 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.759 -28.040 -13.199 1.00 52.24 H new ATOM 0 HG3 PRO A 32 59.064 -29.350 -14.131 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.584 -27.193 -13.716 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.823 -28.759 -13.520 1.00 71.25 H new ATOM 442 N LEU A 33 59.745 -27.126 -10.329 1.00 43.22 N ATOM 443 CA LEU A 33 60.671 -26.368 -9.519 1.00 61.34 C ATOM 444 C LEU A 33 59.975 -25.869 -8.234 1.00 33.42 C ATOM 445 O LEU A 33 60.503 -26.010 -7.121 1.00 21.42 O ATOM 446 CB LEU A 33 61.217 -25.205 -10.352 1.00 61.22 C ATOM 447 CG LEU A 33 61.864 -25.616 -11.690 1.00 51.04 C ATOM 448 CD1 LEU A 33 62.279 -24.405 -12.501 1.00 51.51 C ATOM 449 CD2 LEU A 33 63.058 -26.532 -11.453 1.00 21.44 C ATOM 0 H LEU A 33 59.552 -26.702 -11.236 1.00 43.22 H new ATOM 0 HA LEU A 33 61.504 -27.000 -9.210 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.403 -24.509 -10.557 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.955 -24.666 -9.758 1.00 61.22 H new ATOM 0 HG LEU A 33 61.115 -26.162 -12.263 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.731 -24.732 -13.437 1.00 51.51 H new ATOM 0 HD12 LEU A 33 61.403 -23.793 -12.715 1.00 51.51 H new ATOM 0 HD13 LEU A 33 63.002 -23.818 -11.934 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.499 -26.810 -12.410 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.801 -26.012 -10.848 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.729 -27.430 -10.931 1.00 21.44 H new ATOM 461 N LEU A 34 58.767 -25.349 -8.389 1.00 3.45 N ATOM 462 CA LEU A 34 57.995 -24.896 -7.243 1.00 64.14 C ATOM 463 C LEU A 34 57.580 -26.089 -6.414 1.00 22.24 C ATOM 464 O LEU A 34 57.768 -26.104 -5.212 1.00 75.12 O ATOM 465 CB LEU A 34 56.748 -24.052 -7.631 1.00 35.35 C ATOM 466 CG LEU A 34 56.988 -22.626 -8.180 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.636 -22.640 -9.546 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.694 -21.835 -8.229 1.00 52.54 C ATOM 0 H LEU A 34 58.303 -25.231 -9.290 1.00 3.45 H new ATOM 0 HA LEU A 34 58.641 -24.235 -6.664 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.185 -24.609 -8.380 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.111 -23.970 -6.750 1.00 35.35 H new ATOM 0 HG LEU A 34 57.677 -22.139 -7.490 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.784 -21.616 -9.889 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.600 -23.146 -9.486 1.00 72.03 H new ATOM 0 HD13 LEU A 34 56.992 -23.169 -10.249 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.892 -20.837 -8.619 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.981 -22.343 -8.879 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.277 -21.756 -7.225 1.00 52.54 H new ATOM 480 N LEU A 35 57.079 -27.122 -7.081 1.00 65.12 N ATOM 481 CA LEU A 35 56.634 -28.330 -6.404 1.00 5.32 C ATOM 482 C LEU A 35 57.723 -28.983 -5.585 1.00 54.41 C ATOM 483 O LEU A 35 57.450 -29.499 -4.498 1.00 53.44 O ATOM 484 CB LEU A 35 56.033 -29.333 -7.370 1.00 2.42 C ATOM 485 CG LEU A 35 54.681 -28.967 -7.957 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.239 -30.046 -8.898 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.643 -28.786 -6.853 1.00 71.40 C ATOM 0 H LEU A 35 56.971 -27.145 -8.095 1.00 65.12 H new ATOM 0 HA LEU A 35 55.856 -28.006 -5.713 1.00 5.32 H new ATOM 0 HB2 LEU A 35 56.735 -29.482 -8.191 1.00 2.42 H new ATOM 0 HB3 LEU A 35 55.936 -30.289 -6.856 1.00 2.42 H new ATOM 0 HG LEU A 35 54.776 -28.024 -8.496 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.269 -29.785 -9.321 1.00 24.24 H new ATOM 0 HD12 LEU A 35 54.969 -30.150 -9.701 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.158 -30.989 -8.358 1.00 24.24 H new ATOM 0 HD21 LEU A 35 52.682 -28.524 -7.296 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.543 -29.715 -6.292 1.00 71.40 H new ATOM 0 HD23 LEU A 35 53.962 -27.989 -6.181 1.00 71.40 H new ATOM 499 N LYS A 36 58.956 -28.965 -6.082 1.00 42.34 N ATOM 500 CA LYS A 36 60.039 -29.549 -5.335 1.00 34.14 C ATOM 501 C LYS A 36 60.338 -28.771 -4.081 1.00 62.12 C ATOM 502 O LYS A 36 60.647 -29.356 -3.053 1.00 31.42 O ATOM 503 CB LYS A 36 61.291 -29.830 -6.183 1.00 22.41 C ATOM 504 CG LYS A 36 62.047 -28.660 -6.757 1.00 43.13 C ATOM 505 CD LYS A 36 62.936 -27.943 -5.730 1.00 75.31 C ATOM 506 CE LYS A 36 63.670 -26.750 -6.331 1.00 21.21 C ATOM 507 NZ LYS A 36 64.675 -27.149 -7.343 1.00 23.02 N ATOM 0 H LYS A 36 59.216 -28.559 -6.981 1.00 42.34 H new ATOM 0 HA LYS A 36 59.693 -30.533 -5.019 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.985 -30.404 -5.569 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.993 -30.471 -7.012 1.00 22.41 H new ATOM 0 HG2 LYS A 36 62.667 -29.008 -7.583 1.00 43.13 H new ATOM 0 HG3 LYS A 36 61.336 -27.946 -7.172 1.00 43.13 H new ATOM 0 HD2 LYS A 36 62.322 -27.606 -4.895 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.663 -28.648 -5.327 1.00 75.31 H new ATOM 0 HE2 LYS A 36 62.946 -26.076 -6.790 1.00 21.21 H new ATOM 0 HE3 LYS A 36 64.164 -26.193 -5.534 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.203 -26.310 -7.658 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 65.334 -27.836 -6.925 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 64.195 -27.581 -8.158 1.00 23.02 H new ATOM 521 N LEU A 37 60.173 -27.452 -4.132 1.00 21.34 N ATOM 522 CA LEU A 37 60.461 -26.664 -2.946 1.00 4.13 C ATOM 523 C LEU A 37 59.315 -26.814 -1.953 1.00 55.22 C ATOM 524 O LEU A 37 59.536 -27.025 -0.774 1.00 44.31 O ATOM 525 CB LEU A 37 60.818 -25.163 -3.268 1.00 20.40 C ATOM 526 CG LEU A 37 59.710 -24.183 -3.754 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.846 -23.655 -2.593 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.329 -23.025 -4.523 1.00 24.22 C ATOM 0 H LEU A 37 59.855 -26.927 -4.947 1.00 21.34 H new ATOM 0 HA LEU A 37 61.368 -27.054 -2.484 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.257 -24.734 -2.367 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.598 -25.172 -4.029 1.00 20.40 H new ATOM 0 HG LEU A 37 59.051 -24.744 -4.417 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.088 -22.976 -2.983 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.360 -24.492 -2.092 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.478 -23.123 -1.882 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.543 -22.348 -4.857 1.00 24.22 H new ATOM 0 HD22 LEU A 37 61.021 -22.486 -3.875 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.868 -23.410 -5.389 1.00 24.22 H new ATOM 540 N LEU A 38 58.098 -26.798 -2.480 1.00 2.01 N ATOM 541 CA LEU A 38 56.882 -26.887 -1.688 1.00 62.52 C ATOM 542 C LEU A 38 56.800 -28.208 -0.951 1.00 61.11 C ATOM 543 O LEU A 38 56.679 -28.252 0.277 1.00 21.21 O ATOM 544 CB LEU A 38 55.656 -26.754 -2.592 1.00 42.14 C ATOM 545 CG LEU A 38 55.501 -25.449 -3.366 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.390 -25.587 -4.372 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.215 -24.286 -2.434 1.00 34.23 C ATOM 0 H LEU A 38 57.927 -26.722 -3.483 1.00 2.01 H new ATOM 0 HA LEU A 38 56.904 -26.076 -0.960 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.675 -27.573 -3.311 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.766 -26.890 -1.977 1.00 42.14 H new ATOM 0 HG LEU A 38 56.439 -25.243 -3.881 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.281 -24.653 -4.924 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.626 -26.394 -5.066 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.457 -25.814 -3.855 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.110 -23.371 -3.016 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.291 -24.476 -1.887 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.038 -24.175 -1.728 1.00 34.23 H new ATOM 559 N LYS A 39 56.918 -29.291 -1.680 1.00 4.41 N ATOM 560 CA LYS A 39 56.721 -30.589 -1.091 1.00 72.50 C ATOM 561 C LYS A 39 57.874 -30.957 -0.177 1.00 71.11 C ATOM 562 O LYS A 39 57.705 -31.746 0.754 1.00 23.23 O ATOM 563 CB LYS A 39 56.448 -31.660 -2.148 1.00 34.33 C ATOM 564 CG LYS A 39 55.154 -31.451 -2.933 1.00 51.34 C ATOM 565 CD LYS A 39 54.942 -32.573 -3.941 1.00 50.31 C ATOM 566 CE LYS A 39 53.635 -32.426 -4.728 1.00 14.03 C ATOM 567 NZ LYS A 39 52.425 -32.531 -3.878 1.00 31.25 N ATOM 0 H LYS A 39 57.148 -29.298 -2.674 1.00 4.41 H new ATOM 0 HA LYS A 39 55.826 -30.538 -0.471 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.284 -31.685 -2.847 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.411 -32.634 -1.661 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.309 -31.410 -2.245 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.189 -30.493 -3.451 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.780 -32.592 -4.638 1.00 50.31 H new ATOM 0 HD3 LYS A 39 54.940 -33.529 -3.418 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.631 -31.462 -5.236 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.596 -33.194 -5.501 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 51.651 -32.957 -4.427 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 52.632 -33.127 -3.051 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 52.142 -31.583 -3.559 1.00 31.25 H new ATOM 581 N SER A 40 59.026 -30.335 -0.388 1.00 51.14 N ATOM 582 CA SER A 40 60.155 -30.579 0.474 1.00 42.10 C ATOM 583 C SER A 40 60.093 -29.725 1.758 1.00 14.45 C ATOM 584 O SER A 40 60.910 -29.899 2.659 1.00 42.43 O ATOM 585 CB SER A 40 61.465 -30.349 -0.263 1.00 12.23 C ATOM 586 OG SER A 40 61.567 -31.205 -1.398 1.00 61.15 O ATOM 0 H SER A 40 59.194 -29.668 -1.141 1.00 51.14 H new ATOM 0 HA SER A 40 60.109 -31.626 0.774 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.531 -29.308 -0.580 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.303 -30.530 0.411 1.00 12.23 H new ATOM 0 HG SER A 40 61.371 -30.695 -2.211 1.00 61.15 H new ATOM 592 N VAL A 41 59.146 -28.796 1.838 1.00 11.22 N ATOM 593 CA VAL A 41 59.001 -27.985 3.046 1.00 71.41 C ATOM 594 C VAL A 41 57.702 -28.303 3.781 1.00 64.32 C ATOM 595 O VAL A 41 57.299 -27.597 4.711 1.00 51.12 O ATOM 596 CB VAL A 41 59.128 -26.458 2.788 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.511 -26.107 2.258 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.047 -25.952 1.848 1.00 74.11 C ATOM 0 H VAL A 41 58.478 -28.587 1.097 1.00 11.22 H new ATOM 0 HA VAL A 41 59.840 -28.260 3.685 1.00 71.41 H new ATOM 0 HB VAL A 41 58.990 -25.957 3.746 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.573 -25.032 2.086 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.266 -26.402 2.987 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.686 -26.635 1.321 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.171 -24.880 1.694 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.126 -26.468 0.891 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.067 -26.144 2.284 1.00 74.11 H new ATOM 608 N GLY A 42 57.055 -29.372 3.368 1.00 13.41 N ATOM 609 CA GLY A 42 55.878 -29.817 4.074 1.00 34.34 C ATOM 610 C GLY A 42 54.570 -29.567 3.354 1.00 74.23 C ATOM 611 O GLY A 42 53.515 -29.574 3.987 1.00 22.34 O ATOM 0 H GLY A 42 57.319 -29.938 2.562 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.971 -30.886 4.268 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.843 -29.319 5.043 1.00 34.34 H new ATOM 615 N ALA A 43 54.609 -29.327 2.052 1.00 52.43 N ATOM 616 CA ALA A 43 53.370 -29.126 1.318 1.00 31.35 C ATOM 617 C ALA A 43 52.781 -30.445 0.913 1.00 13.11 C ATOM 618 O ALA A 43 53.457 -31.294 0.325 1.00 2.23 O ATOM 619 CB ALA A 43 53.549 -28.232 0.107 1.00 2.41 C ATOM 0 H ALA A 43 55.461 -29.268 1.494 1.00 52.43 H new ATOM 0 HA ALA A 43 52.681 -28.616 1.991 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.593 -28.116 -0.404 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.911 -27.255 0.427 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.272 -28.682 -0.574 1.00 2.41 H new ATOM 625 N GLN A 44 51.541 -30.607 1.241 1.00 11.11 N ATOM 626 CA GLN A 44 50.788 -31.803 0.970 1.00 14.10 C ATOM 627 C GLN A 44 49.936 -31.593 -0.259 1.00 41.31 C ATOM 628 O GLN A 44 49.462 -32.542 -0.889 1.00 14.35 O ATOM 629 CB GLN A 44 49.912 -32.074 2.173 1.00 34.11 C ATOM 630 CG GLN A 44 50.724 -32.232 3.438 1.00 12.52 C ATOM 631 CD GLN A 44 51.506 -33.522 3.452 1.00 43.54 C ATOM 632 OE1 GLN A 44 52.640 -33.591 2.966 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.936 -34.534 4.028 1.00 5.12 N ATOM 0 H GLN A 44 50.999 -29.889 1.722 1.00 11.11 H new ATOM 0 HA GLN A 44 51.451 -32.649 0.788 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.202 -31.256 2.297 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.329 -32.979 2.001 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.411 -31.391 3.535 1.00 12.52 H new ATOM 0 HG3 GLN A 44 50.059 -32.202 4.301 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.998 -34.437 4.417 1.00 5.12 H new ATOM 0 HE22 GLN A 44 51.425 -35.427 4.092 1.00 5.12 H new ATOM 642 N LYS A 45 49.763 -30.348 -0.599 1.00 34.22 N ATOM 643 CA LYS A 45 48.975 -29.956 -1.708 1.00 1.22 C ATOM 644 C LYS A 45 49.760 -29.921 -2.995 1.00 34.45 C ATOM 645 O LYS A 45 51.009 -29.986 -3.012 1.00 73.42 O ATOM 646 CB LYS A 45 48.377 -28.583 -1.461 1.00 41.14 C ATOM 647 CG LYS A 45 47.260 -28.558 -0.456 1.00 41.43 C ATOM 648 CD LYS A 45 46.727 -27.159 -0.300 1.00 52.41 C ATOM 649 CE LYS A 45 45.460 -27.165 0.487 1.00 2.42 C ATOM 650 NZ LYS A 45 44.897 -25.818 0.638 1.00 21.35 N ATOM 0 H LYS A 45 50.181 -29.566 -0.094 1.00 34.22 H new ATOM 0 HA LYS A 45 48.190 -30.704 -1.814 1.00 1.22 H new ATOM 0 HB2 LYS A 45 49.167 -27.913 -1.123 1.00 41.14 H new ATOM 0 HB3 LYS A 45 48.006 -28.187 -2.407 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.460 -29.226 -0.775 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.618 -28.927 0.505 1.00 41.43 H new ATOM 0 HD2 LYS A 45 47.468 -26.535 0.199 1.00 52.41 H new ATOM 0 HD3 LYS A 45 46.550 -26.720 -1.282 1.00 52.41 H new ATOM 0 HE2 LYS A 45 44.731 -27.809 -0.005 1.00 2.42 H new ATOM 0 HE3 LYS A 45 45.648 -27.591 1.472 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.432 -25.738 1.565 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.659 -25.114 0.571 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.200 -25.647 -0.115 1.00 21.35 H new ATOM 664 N ASP A 46 49.013 -29.886 -4.060 1.00 71.23 N ATOM 665 CA ASP A 46 49.516 -29.678 -5.393 1.00 33.11 C ATOM 666 C ASP A 46 48.899 -28.412 -5.938 1.00 43.41 C ATOM 667 O ASP A 46 49.271 -27.919 -6.997 1.00 45.42 O ATOM 668 CB ASP A 46 49.216 -30.870 -6.306 1.00 22.43 C ATOM 669 CG ASP A 46 50.119 -32.050 -6.043 1.00 54.13 C ATOM 670 OD1 ASP A 46 49.968 -32.736 -5.004 1.00 72.22 O ATOM 671 OD2 ASP A 46 51.007 -32.316 -6.861 1.00 45.24 O ATOM 0 H ASP A 46 48.001 -30.005 -4.026 1.00 71.23 H new ATOM 0 HA ASP A 46 50.601 -29.582 -5.357 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.178 -31.175 -6.169 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.323 -30.561 -7.346 1.00 22.43 H new ATOM 676 N THR A 47 47.956 -27.873 -5.187 1.00 73.34 N ATOM 677 CA THR A 47 47.329 -26.622 -5.521 1.00 64.41 C ATOM 678 C THR A 47 47.218 -25.802 -4.286 1.00 71.43 C ATOM 679 O THR A 47 46.863 -26.312 -3.240 1.00 40.44 O ATOM 680 CB THR A 47 45.966 -26.761 -6.209 1.00 20.33 C ATOM 681 OG1 THR A 47 45.295 -27.978 -5.807 1.00 44.41 O ATOM 682 CG2 THR A 47 46.094 -26.673 -7.727 1.00 54.35 C ATOM 0 H THR A 47 47.607 -28.297 -4.327 1.00 73.34 H new ATOM 0 HA THR A 47 47.963 -26.131 -6.259 1.00 64.41 H new ATOM 0 HB THR A 47 45.350 -25.922 -5.884 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.428 -28.039 -6.260 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.109 -26.776 -8.182 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.521 -25.708 -8.001 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.743 -27.472 -8.084 1.00 54.35 H new ATOM 690 N TYR A 48 47.537 -24.555 -4.393 1.00 21.32 N ATOM 691 CA TYR A 48 47.686 -23.731 -3.240 1.00 72.11 C ATOM 692 C TYR A 48 47.417 -22.282 -3.592 1.00 63.32 C ATOM 693 O TYR A 48 47.624 -21.874 -4.737 1.00 44.22 O ATOM 694 CB TYR A 48 49.121 -23.942 -2.676 1.00 30.34 C ATOM 695 CG TYR A 48 50.268 -23.668 -3.677 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.401 -24.420 -4.847 1.00 21.34 C ATOM 697 CD2 TYR A 48 51.193 -22.661 -3.459 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.395 -24.182 -5.751 1.00 2.02 C ATOM 699 CE2 TYR A 48 52.206 -22.416 -4.378 1.00 12.51 C ATOM 700 CZ TYR A 48 52.295 -23.180 -5.519 1.00 2.34 C ATOM 701 OH TYR A 48 53.285 -22.935 -6.435 1.00 72.12 O ATOM 0 H TYR A 48 47.701 -24.079 -5.280 1.00 21.32 H new ATOM 0 HA TYR A 48 46.962 -24.005 -2.472 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.253 -23.293 -1.810 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.207 -24.969 -2.321 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.695 -25.214 -5.042 1.00 21.34 H new ATOM 0 HD2 TYR A 48 51.126 -22.059 -2.565 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.470 -24.783 -6.645 1.00 2.02 H new ATOM 0 HE2 TYR A 48 52.922 -21.628 -4.197 1.00 12.51 H new ATOM 0 HH TYR A 48 53.111 -22.081 -6.884 1.00 72.12 H new ATOM 711 N THR A 49 46.907 -21.533 -2.647 1.00 4.35 N ATOM 712 CA THR A 49 46.613 -20.134 -2.851 1.00 1.34 C ATOM 713 C THR A 49 47.845 -19.288 -2.566 1.00 15.00 C ATOM 714 O THR A 49 48.868 -19.804 -2.114 1.00 52.25 O ATOM 715 CB THR A 49 45.464 -19.663 -1.935 1.00 51.02 C ATOM 716 OG1 THR A 49 45.788 -19.943 -0.565 1.00 64.22 O ATOM 717 CG2 THR A 49 44.162 -20.343 -2.293 1.00 61.52 C ATOM 0 H THR A 49 46.683 -21.875 -1.713 1.00 4.35 H new ATOM 0 HA THR A 49 46.310 -20.013 -3.891 1.00 1.34 H new ATOM 0 HB THR A 49 45.341 -18.589 -2.075 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.586 -20.881 -0.366 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.373 -19.990 -1.630 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.901 -20.108 -3.325 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.273 -21.422 -2.183 1.00 61.52 H new ATOM 725 N MET A 50 47.727 -17.986 -2.796 1.00 21.14 N ATOM 726 CA MET A 50 48.829 -17.038 -2.568 1.00 1.43 C ATOM 727 C MET A 50 49.339 -17.064 -1.127 1.00 72.53 C ATOM 728 O MET A 50 50.539 -16.961 -0.885 1.00 74.21 O ATOM 729 CB MET A 50 48.443 -15.618 -2.969 1.00 22.31 C ATOM 730 CG MET A 50 48.156 -15.454 -4.453 1.00 4.50 C ATOM 731 SD MET A 50 48.969 -14.013 -5.147 1.00 33.11 S ATOM 732 CE MET A 50 50.682 -14.481 -4.888 1.00 73.31 C ATOM 0 H MET A 50 46.872 -17.552 -3.144 1.00 21.14 H new ATOM 0 HA MET A 50 49.646 -17.368 -3.209 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.561 -15.318 -2.403 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.248 -14.940 -2.687 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.485 -16.346 -4.986 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.080 -15.371 -4.606 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.093 -13.910 -4.056 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.738 -15.546 -4.661 1.00 73.31 H new ATOM 0 HE3 MET A 50 51.257 -14.272 -5.790 1.00 73.31 H new ATOM 742 N LYS A 51 48.426 -17.241 -0.191 1.00 14.32 N ATOM 743 CA LYS A 51 48.755 -17.336 1.243 1.00 64.44 C ATOM 744 C LYS A 51 49.624 -18.534 1.512 1.00 30.11 C ATOM 745 O LYS A 51 50.576 -18.484 2.281 1.00 14.04 O ATOM 746 CB LYS A 51 47.478 -17.475 2.048 1.00 41.10 C ATOM 747 CG LYS A 51 46.673 -16.223 2.107 1.00 73.21 C ATOM 748 CD LYS A 51 45.324 -16.459 2.726 1.00 42.42 C ATOM 749 CE LYS A 51 44.612 -15.150 2.930 1.00 70.32 C ATOM 750 NZ LYS A 51 43.189 -15.328 3.201 1.00 25.31 N ATOM 0 H LYS A 51 47.429 -17.325 -0.391 1.00 14.32 H new ATOM 0 HA LYS A 51 49.291 -16.432 1.532 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.869 -18.269 1.615 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.729 -17.784 3.063 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.211 -15.471 2.683 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.547 -15.823 1.101 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.729 -17.109 2.084 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.438 -16.972 3.681 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.073 -14.614 3.760 1.00 70.32 H new ATOM 0 HE3 LYS A 51 44.735 -14.530 2.042 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 42.780 -14.425 3.516 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 42.707 -15.642 2.335 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 43.064 -16.043 3.945 1.00 25.31 H new ATOM 764 N GLU A 52 49.308 -19.589 0.839 1.00 55.54 N ATOM 765 CA GLU A 52 49.982 -20.837 1.003 1.00 75.23 C ATOM 766 C GLU A 52 51.342 -20.792 0.341 1.00 14.34 C ATOM 767 O GLU A 52 52.274 -21.457 0.786 1.00 34.14 O ATOM 768 CB GLU A 52 49.100 -21.934 0.477 1.00 51.14 C ATOM 769 CG GLU A 52 47.768 -21.945 1.195 1.00 60.21 C ATOM 770 CD GLU A 52 46.806 -22.925 0.646 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.069 -22.574 -0.308 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.746 -24.047 1.155 1.00 34.40 O ATOM 0 H GLU A 52 48.560 -19.610 0.146 1.00 55.54 H new ATOM 0 HA GLU A 52 50.169 -21.040 2.057 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.940 -21.797 -0.592 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.595 -22.897 0.605 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.935 -22.165 2.249 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.329 -20.949 1.143 1.00 60.21 H new ATOM 779 N VAL A 53 51.470 -19.968 -0.702 1.00 43.32 N ATOM 780 CA VAL A 53 52.770 -19.729 -1.311 1.00 51.12 C ATOM 781 C VAL A 53 53.617 -19.052 -0.272 1.00 21.10 C ATOM 782 O VAL A 53 54.680 -19.494 0.010 1.00 11.23 O ATOM 783 CB VAL A 53 52.712 -18.790 -2.534 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.034 -18.802 -3.257 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.582 -19.136 -3.468 1.00 10.42 C ATOM 0 H VAL A 53 50.696 -19.463 -1.134 1.00 43.32 H new ATOM 0 HA VAL A 53 53.163 -20.687 -1.651 1.00 51.12 H new ATOM 0 HB VAL A 53 52.516 -17.782 -2.168 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.983 -18.136 -4.119 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.821 -18.464 -2.583 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.256 -19.815 -3.593 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.584 -18.447 -4.312 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.710 -20.156 -3.832 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.634 -19.056 -2.937 1.00 10.42 H new ATOM 795 N LEU A 54 53.086 -18.002 0.328 1.00 70.30 N ATOM 796 CA LEU A 54 53.789 -17.272 1.385 1.00 2.43 C ATOM 797 C LEU A 54 54.217 -18.232 2.486 1.00 14.03 C ATOM 798 O LEU A 54 55.350 -18.211 2.939 1.00 21.52 O ATOM 799 CB LEU A 54 52.904 -16.178 1.998 1.00 11.33 C ATOM 800 CG LEU A 54 52.310 -15.147 1.043 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.519 -14.106 1.806 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.385 -14.512 0.174 1.00 72.44 C ATOM 0 H LEU A 54 52.164 -17.628 0.104 1.00 70.30 H new ATOM 0 HA LEU A 54 54.663 -16.803 0.933 1.00 2.43 H new ATOM 0 HB2 LEU A 54 52.083 -16.663 2.525 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.493 -15.647 2.746 1.00 11.33 H new ATOM 0 HG LEU A 54 51.622 -15.662 0.373 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.104 -13.380 1.107 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.708 -14.591 2.349 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.175 -13.596 2.512 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.928 -13.782 -0.495 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.118 -14.014 0.808 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.880 -15.284 -0.415 1.00 72.44 H new ATOM 814 N PHE A 55 53.332 -19.120 2.845 1.00 3.44 N ATOM 815 CA PHE A 55 53.612 -20.058 3.896 1.00 31.34 C ATOM 816 C PHE A 55 54.741 -21.026 3.492 1.00 34.30 C ATOM 817 O PHE A 55 55.793 -21.052 4.122 1.00 13.01 O ATOM 818 CB PHE A 55 52.334 -20.813 4.306 1.00 43.03 C ATOM 819 CG PHE A 55 52.519 -21.780 5.445 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.544 -21.332 6.755 1.00 13.12 C ATOM 821 CD2 PHE A 55 52.655 -23.136 5.205 1.00 43.53 C ATOM 822 CE1 PHE A 55 52.704 -22.219 7.799 1.00 72.04 C ATOM 823 CE2 PHE A 55 52.816 -24.026 6.243 1.00 44.21 C ATOM 824 CZ PHE A 55 52.841 -23.568 7.540 1.00 42.14 C ATOM 0 H PHE A 55 52.408 -19.214 2.424 1.00 3.44 H new ATOM 0 HA PHE A 55 53.961 -19.502 4.766 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.571 -20.086 4.584 1.00 43.03 H new ATOM 0 HB3 PHE A 55 51.956 -21.358 3.441 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.437 -20.277 6.961 1.00 13.12 H new ATOM 0 HD2 PHE A 55 52.635 -23.501 4.189 1.00 43.53 H new ATOM 0 HE1 PHE A 55 52.722 -21.859 8.817 1.00 72.04 H new ATOM 0 HE2 PHE A 55 52.922 -25.081 6.040 1.00 44.21 H new ATOM 0 HZ PHE A 55 52.968 -24.264 8.356 1.00 42.14 H new ATOM 834 N TYR A 56 54.539 -21.758 2.421 1.00 63.30 N ATOM 835 CA TYR A 56 55.481 -22.783 1.998 1.00 1.22 C ATOM 836 C TYR A 56 56.726 -22.234 1.338 1.00 62.54 C ATOM 837 O TYR A 56 57.824 -22.713 1.603 1.00 21.03 O ATOM 838 CB TYR A 56 54.816 -23.805 1.094 1.00 51.34 C ATOM 839 CG TYR A 56 53.779 -24.619 1.795 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.155 -25.567 2.713 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.430 -24.440 1.545 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.225 -26.320 3.373 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.481 -25.191 2.202 1.00 32.12 C ATOM 844 CZ TYR A 56 51.887 -26.133 3.119 1.00 61.21 C ATOM 845 OH TYR A 56 50.954 -26.895 3.782 1.00 44.45 O ATOM 0 H TYR A 56 53.722 -21.665 1.817 1.00 63.30 H new ATOM 0 HA TYR A 56 55.806 -23.271 2.917 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.356 -23.290 0.250 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.577 -24.470 0.686 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.204 -25.721 2.918 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.117 -23.700 0.824 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.541 -27.061 4.093 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.431 -25.042 2.000 1.00 32.12 H new ATOM 0 HH TYR A 56 50.055 -26.638 3.490 1.00 44.45 H new ATOM 855 N LEU A 57 56.579 -21.223 0.506 1.00 33.41 N ATOM 856 CA LEU A 57 57.712 -20.669 -0.191 1.00 40.31 C ATOM 857 C LEU A 57 58.625 -19.998 0.834 1.00 40.54 C ATOM 858 O LEU A 57 59.849 -20.061 0.737 1.00 5.14 O ATOM 859 CB LEU A 57 57.246 -19.696 -1.304 1.00 53.03 C ATOM 860 CG LEU A 57 58.225 -19.415 -2.454 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.494 -18.815 -3.632 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.318 -18.476 -2.032 1.00 3.30 C ATOM 0 H LEU A 57 55.688 -20.772 0.299 1.00 33.41 H new ATOM 0 HA LEU A 57 58.276 -21.455 -0.694 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.326 -20.092 -1.734 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.995 -18.744 -0.836 1.00 53.03 H new ATOM 0 HG LEU A 57 58.671 -20.368 -2.738 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.201 -18.621 -4.439 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.730 -19.510 -3.978 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.023 -17.879 -3.330 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.991 -18.301 -2.871 1.00 3.30 H new ATOM 0 HD22 LEU A 57 58.882 -17.530 -1.713 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.876 -18.915 -1.205 1.00 3.30 H new ATOM 874 N GLY A 58 58.000 -19.444 1.870 1.00 34.05 N ATOM 875 CA GLY A 58 58.729 -18.807 2.943 1.00 74.30 C ATOM 876 C GLY A 58 59.553 -19.799 3.723 1.00 10.41 C ATOM 877 O GLY A 58 60.659 -19.477 4.173 1.00 32.52 O ATOM 0 H GLY A 58 56.986 -19.428 1.981 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.381 -18.036 2.532 1.00 74.30 H new ATOM 0 HA3 GLY A 58 58.029 -18.309 3.613 1.00 74.30 H new ATOM 881 N GLN A 59 59.028 -21.025 3.859 1.00 63.23 N ATOM 882 CA GLN A 59 59.740 -22.102 4.551 1.00 64.13 C ATOM 883 C GLN A 59 61.059 -22.355 3.848 1.00 12.12 C ATOM 884 O GLN A 59 62.096 -22.449 4.484 1.00 60.00 O ATOM 885 CB GLN A 59 58.943 -23.414 4.535 1.00 61.45 C ATOM 886 CG GLN A 59 57.530 -23.326 5.057 1.00 71.21 C ATOM 887 CD GLN A 59 57.433 -22.884 6.494 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.313 -23.151 7.321 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.385 -22.192 6.797 1.00 73.55 N ATOM 0 H GLN A 59 58.112 -21.293 3.498 1.00 63.23 H new ATOM 0 HA GLN A 59 59.888 -21.789 5.585 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.910 -23.786 3.511 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.484 -24.154 5.125 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.967 -22.630 4.435 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.055 -24.302 4.955 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.682 -21.993 6.085 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.261 -21.844 7.748 1.00 73.55 H new ATOM 898 N TYR A 60 61.000 -22.412 2.519 1.00 52.35 N ATOM 899 CA TYR A 60 62.162 -22.686 1.686 1.00 12.25 C ATOM 900 C TYR A 60 63.239 -21.611 1.845 1.00 54.12 C ATOM 901 O TYR A 60 64.413 -21.918 1.993 1.00 53.15 O ATOM 902 CB TYR A 60 61.746 -22.822 0.209 1.00 33.44 C ATOM 903 CG TYR A 60 62.895 -23.127 -0.738 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.467 -24.390 -0.775 1.00 22.44 C ATOM 905 CD2 TYR A 60 63.414 -22.147 -1.582 1.00 3.25 C ATOM 906 CE1 TYR A 60 64.516 -24.673 -1.622 1.00 63.13 C ATOM 907 CE2 TYR A 60 64.469 -22.423 -2.433 1.00 41.23 C ATOM 908 CZ TYR A 60 65.015 -23.690 -2.450 1.00 64.01 C ATOM 909 OH TYR A 60 66.078 -23.977 -3.292 1.00 62.05 O ATOM 0 H TYR A 60 60.140 -22.268 1.990 1.00 52.35 H new ATOM 0 HA TYR A 60 62.591 -23.631 2.019 1.00 12.25 H new ATOM 0 HB2 TYR A 60 61.001 -23.613 0.125 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.265 -21.896 -0.108 1.00 33.44 H new ATOM 0 HD1 TYR A 60 63.083 -25.165 -0.128 1.00 22.44 H new ATOM 0 HD2 TYR A 60 62.985 -21.156 -1.571 1.00 3.25 H new ATOM 0 HE1 TYR A 60 64.947 -25.663 -1.637 1.00 63.13 H new ATOM 0 HE2 TYR A 60 64.862 -21.652 -3.079 1.00 41.23 H new ATOM 0 HH TYR A 60 66.749 -23.266 -3.225 1.00 62.05 H new ATOM 919 N ILE A 61 62.824 -20.371 1.880 1.00 22.33 N ATOM 920 CA ILE A 61 63.754 -19.249 1.950 1.00 54.32 C ATOM 921 C ILE A 61 64.391 -19.229 3.333 1.00 22.41 C ATOM 922 O ILE A 61 65.590 -18.947 3.483 1.00 45.34 O ATOM 923 CB ILE A 61 63.025 -17.907 1.710 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.161 -17.990 0.457 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.038 -16.757 1.545 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.346 -16.746 0.183 1.00 12.42 C ATOM 0 H ILE A 61 61.841 -20.101 1.861 1.00 22.33 H new ATOM 0 HA ILE A 61 64.512 -19.372 1.176 1.00 54.32 H new ATOM 0 HB ILE A 61 62.395 -17.709 2.577 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.803 -18.186 -0.401 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.485 -18.840 0.551 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.503 -15.822 1.377 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.642 -16.672 2.448 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.686 -16.962 0.693 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.760 -16.888 -0.725 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.676 -16.558 1.022 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.014 -15.894 0.055 1.00 12.42 H new ATOM 938 N MET A 62 63.580 -19.563 4.325 1.00 72.44 N ATOM 939 CA MET A 62 64.008 -19.641 5.712 1.00 41.23 C ATOM 940 C MET A 62 64.978 -20.771 5.939 1.00 61.21 C ATOM 941 O MET A 62 66.075 -20.562 6.410 1.00 12.42 O ATOM 942 CB MET A 62 62.813 -19.837 6.655 1.00 32.32 C ATOM 943 CG MET A 62 62.240 -18.586 7.274 1.00 13.52 C ATOM 944 SD MET A 62 63.404 -17.814 8.415 1.00 44.31 S ATOM 945 CE MET A 62 62.366 -16.582 9.187 1.00 63.31 C ATOM 0 H MET A 62 62.595 -19.790 4.187 1.00 72.44 H new ATOM 0 HA MET A 62 64.501 -18.694 5.929 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.020 -20.340 6.102 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.117 -20.508 7.458 1.00 32.32 H new ATOM 0 HG2 MET A 62 61.977 -17.878 6.488 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.319 -18.831 7.803 1.00 13.52 H new ATOM 0 HE1 MET A 62 62.964 -15.704 9.431 1.00 63.31 H new ATOM 0 HE2 MET A 62 61.567 -16.299 8.502 1.00 63.31 H new ATOM 0 HE3 MET A 62 61.933 -16.991 10.100 1.00 63.31 H new ATOM 955 N THR A 63 64.582 -21.948 5.535 1.00 24.30 N ATOM 956 CA THR A 63 65.319 -23.172 5.847 1.00 13.21 C ATOM 957 C THR A 63 66.664 -23.247 5.098 1.00 64.20 C ATOM 958 O THR A 63 67.581 -23.965 5.500 1.00 74.44 O ATOM 959 CB THR A 63 64.446 -24.434 5.554 1.00 32.20 C ATOM 960 OG1 THR A 63 65.037 -25.615 6.132 1.00 73.21 O ATOM 961 CG2 THR A 63 64.273 -24.654 4.054 1.00 71.34 C ATOM 0 H THR A 63 63.740 -22.100 4.979 1.00 24.30 H new ATOM 0 HA THR A 63 65.547 -23.149 6.913 1.00 13.21 H new ATOM 0 HB THR A 63 63.469 -24.256 6.004 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.473 -26.392 5.937 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.661 -25.540 3.884 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.784 -23.785 3.613 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.250 -24.794 3.592 1.00 71.34 H new ATOM 969 N LYS A 64 66.766 -22.525 4.018 1.00 74.50 N ATOM 970 CA LYS A 64 67.992 -22.492 3.242 1.00 35.22 C ATOM 971 C LYS A 64 68.785 -21.260 3.600 1.00 24.12 C ATOM 972 O LYS A 64 69.962 -21.143 3.260 1.00 50.03 O ATOM 973 CB LYS A 64 67.651 -22.470 1.777 1.00 41.22 C ATOM 974 CG LYS A 64 66.837 -23.653 1.319 1.00 22.42 C ATOM 975 CD LYS A 64 67.618 -24.951 1.356 1.00 13.51 C ATOM 976 CE LYS A 64 66.758 -26.113 0.915 1.00 12.10 C ATOM 977 NZ LYS A 64 67.546 -27.343 0.741 1.00 42.24 N ATOM 0 H LYS A 64 66.014 -21.945 3.646 1.00 74.50 H new ATOM 0 HA LYS A 64 68.589 -23.377 3.463 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.100 -21.556 1.556 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.575 -22.432 1.200 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.954 -23.747 1.951 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.485 -23.475 0.303 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.491 -24.873 0.708 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.986 -25.129 2.366 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.974 -26.285 1.653 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.263 -25.863 -0.023 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.920 -28.116 0.438 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.278 -27.187 0.019 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.998 -27.596 1.643 1.00 42.24 H new ATOM 991 N ARG A 65 68.105 -20.354 4.298 1.00 62.41 N ATOM 992 CA ARG A 65 68.658 -19.069 4.744 1.00 10.24 C ATOM 993 C ARG A 65 69.166 -18.279 3.555 1.00 55.32 C ATOM 994 O ARG A 65 70.308 -17.830 3.518 1.00 33.21 O ATOM 995 CB ARG A 65 69.758 -19.200 5.844 1.00 10.13 C ATOM 996 CG ARG A 65 69.288 -19.745 7.200 1.00 12.01 C ATOM 997 CD ARG A 65 69.067 -21.244 7.170 1.00 0.21 C ATOM 998 NE ARG A 65 68.426 -21.744 8.390 1.00 35.32 N ATOM 999 CZ ARG A 65 68.383 -23.021 8.758 1.00 62.31 C ATOM 1000 NH1 ARG A 65 69.173 -23.915 8.165 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.600 -23.389 9.763 1.00 23.34 N ATOM 0 H ARG A 65 67.134 -20.491 4.577 1.00 62.41 H new ATOM 0 HA ARG A 65 67.839 -18.528 5.218 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.547 -19.851 5.466 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.204 -18.218 6.004 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.028 -19.504 7.963 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.361 -19.249 7.487 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.450 -21.499 6.309 1.00 0.21 H new ATOM 0 HD3 ARG A 65 70.025 -21.746 7.035 1.00 0.21 H new ATOM 0 HE ARG A 65 67.980 -21.061 9.002 1.00 35.32 H new ATOM 0 HH11 ARG A 65 69.813 -23.620 7.427 1.00 53.35 H new ATOM 0 HH12 ARG A 65 69.138 -24.894 8.449 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.034 -22.694 10.250 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.563 -24.367 10.049 1.00 23.34 H new ATOM 1015 N LEU A 66 68.295 -18.102 2.587 1.00 53.51 N ATOM 1016 CA LEU A 66 68.658 -17.430 1.346 1.00 71.15 C ATOM 1017 C LEU A 66 68.536 -15.922 1.461 1.00 32.04 C ATOM 1018 O LEU A 66 68.812 -15.185 0.500 1.00 73.22 O ATOM 1019 CB LEU A 66 67.814 -17.952 0.183 1.00 33.23 C ATOM 1020 CG LEU A 66 67.995 -19.430 -0.170 1.00 74.22 C ATOM 1021 CD1 LEU A 66 67.037 -19.843 -1.272 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.433 -19.721 -0.585 1.00 42.44 C ATOM 0 H LEU A 66 67.325 -18.413 2.630 1.00 53.51 H new ATOM 0 HA LEU A 66 69.705 -17.657 1.148 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.763 -17.782 0.418 1.00 33.23 H new ATOM 0 HB3 LEU A 66 68.043 -17.357 -0.701 1.00 33.23 H new ATOM 0 HG LEU A 66 67.770 -20.014 0.722 1.00 74.22 H new ATOM 0 HD11 LEU A 66 67.184 -20.897 -1.506 1.00 34.12 H new ATOM 0 HD12 LEU A 66 66.011 -19.685 -0.940 1.00 34.12 H new ATOM 0 HD13 LEU A 66 67.227 -19.244 -2.163 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.534 -20.778 -0.830 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.689 -19.120 -1.458 1.00 42.44 H new ATOM 0 HD23 LEU A 66 70.106 -19.473 0.236 1.00 42.44 H new ATOM 1034 N TYR A 67 68.114 -15.455 2.611 1.00 50.33 N ATOM 1035 CA TYR A 67 68.010 -14.042 2.828 1.00 63.44 C ATOM 1036 C TYR A 67 69.232 -13.530 3.575 1.00 41.21 C ATOM 1037 O TYR A 67 70.055 -14.326 4.039 1.00 0.14 O ATOM 1038 CB TYR A 67 66.683 -13.645 3.509 1.00 32.51 C ATOM 1039 CG TYR A 67 66.456 -14.182 4.905 1.00 55.05 C ATOM 1040 CD1 TYR A 67 65.816 -15.396 5.112 1.00 64.31 C ATOM 1041 CD2 TYR A 67 66.857 -13.457 6.015 1.00 24.21 C ATOM 1042 CE1 TYR A 67 65.590 -15.870 6.386 1.00 44.51 C ATOM 1043 CE2 TYR A 67 66.631 -13.924 7.289 1.00 3.00 C ATOM 1044 CZ TYR A 67 65.999 -15.129 7.470 1.00 62.24 C ATOM 1045 OH TYR A 67 65.764 -15.592 8.745 1.00 52.04 O ATOM 0 H TYR A 67 67.839 -16.034 3.405 1.00 50.33 H new ATOM 0 HA TYR A 67 67.990 -13.553 1.854 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.632 -12.557 3.549 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.861 -13.980 2.876 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.490 -15.978 4.262 1.00 64.31 H new ATOM 0 HD2 TYR A 67 67.356 -12.509 5.878 1.00 24.21 H new ATOM 0 HE1 TYR A 67 65.094 -16.818 6.532 1.00 44.51 H new ATOM 0 HE2 TYR A 67 66.949 -13.345 8.143 1.00 3.00 H new ATOM 0 HH TYR A 67 65.057 -16.271 8.722 1.00 52.04 H new ATOM 1055 N ASP A 68 69.342 -12.223 3.680 1.00 63.44 N ATOM 1056 CA ASP A 68 70.494 -11.570 4.293 1.00 21.32 C ATOM 1057 C ASP A 68 70.624 -11.885 5.781 1.00 52.35 C ATOM 1058 O ASP A 68 69.665 -12.294 6.444 1.00 13.34 O ATOM 1059 CB ASP A 68 70.444 -10.052 4.064 1.00 1.00 C ATOM 1060 CG ASP A 68 71.628 -9.319 4.643 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.801 -9.711 4.406 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.423 -8.348 5.351 1.00 24.12 O ATOM 0 H ASP A 68 68.633 -11.573 3.342 1.00 63.44 H new ATOM 0 HA ASP A 68 71.381 -11.973 3.805 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.393 -9.855 2.993 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.530 -9.656 4.505 1.00 1.00 H new ATOM 1067 N GLU A 69 71.798 -11.668 6.298 1.00 63.22 N ATOM 1068 CA GLU A 69 72.098 -11.968 7.654 1.00 62.14 C ATOM 1069 C GLU A 69 71.676 -10.814 8.568 1.00 64.00 C ATOM 1070 O GLU A 69 71.226 -11.043 9.697 1.00 30.11 O ATOM 1071 CB GLU A 69 73.585 -12.328 7.789 1.00 42.41 C ATOM 1072 CG GLU A 69 74.526 -11.236 7.332 1.00 61.33 C ATOM 1073 CD GLU A 69 75.929 -11.709 7.137 1.00 74.11 C ATOM 1074 OE1 GLU A 69 76.636 -11.961 8.118 1.00 52.31 O ATOM 1075 OE2 GLU A 69 76.350 -11.850 5.976 1.00 24.54 O ATOM 0 H GLU A 69 72.580 -11.272 5.776 1.00 63.22 H new ATOM 0 HA GLU A 69 71.525 -12.838 7.975 1.00 62.14 H new ATOM 0 HB2 GLU A 69 73.798 -12.564 8.832 1.00 42.41 H new ATOM 0 HB3 GLU A 69 73.784 -13.230 7.211 1.00 42.41 H new ATOM 0 HG2 GLU A 69 74.158 -10.817 6.396 1.00 61.33 H new ATOM 0 HG3 GLU A 69 74.520 -10.430 8.066 1.00 61.33 H new ATOM 1082 N LYS A 70 71.749 -9.573 8.071 1.00 21.31 N ATOM 1083 CA LYS A 70 71.380 -8.458 8.889 1.00 43.13 C ATOM 1084 C LYS A 70 70.010 -7.892 8.547 1.00 3.23 C ATOM 1085 O LYS A 70 69.294 -7.461 9.439 1.00 14.52 O ATOM 1086 CB LYS A 70 72.440 -7.341 8.879 1.00 51.11 C ATOM 1087 CG LYS A 70 73.040 -7.002 7.534 1.00 5.05 C ATOM 1088 CD LYS A 70 74.207 -7.885 7.225 1.00 31.00 C ATOM 1089 CE LYS A 70 74.975 -7.404 6.013 1.00 65.43 C ATOM 1090 NZ LYS A 70 74.161 -7.372 4.778 1.00 33.03 N ATOM 0 H LYS A 70 72.055 -9.339 7.127 1.00 21.31 H new ATOM 0 HA LYS A 70 71.323 -8.859 9.901 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.990 -6.438 9.291 1.00 51.11 H new ATOM 0 HB3 LYS A 70 73.248 -7.629 9.552 1.00 51.11 H new ATOM 0 HG2 LYS A 70 72.283 -7.110 6.757 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.357 -5.959 7.527 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.874 -7.920 8.087 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.856 -8.902 7.052 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.362 -6.404 6.210 1.00 65.43 H new ATOM 0 HE3 LYS A 70 75.836 -8.054 5.856 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 74.707 -6.924 4.014 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 73.911 -8.343 4.502 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 73.292 -6.826 4.949 1.00 33.03 H new ATOM 1104 N GLN A 71 69.598 -7.969 7.297 1.00 50.03 N ATOM 1105 CA GLN A 71 68.308 -7.431 6.917 1.00 5.34 C ATOM 1106 C GLN A 71 67.412 -8.549 6.429 1.00 62.15 C ATOM 1107 O GLN A 71 67.563 -9.023 5.306 1.00 64.52 O ATOM 1108 CB GLN A 71 68.455 -6.343 5.830 1.00 3.32 C ATOM 1109 CG GLN A 71 69.331 -5.144 6.227 1.00 21.51 C ATOM 1110 CD GLN A 71 68.786 -4.348 7.404 1.00 43.20 C ATOM 1111 OE1 GLN A 71 69.083 -4.631 8.554 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.017 -3.330 7.128 1.00 3.50 N ATOM 0 H GLN A 71 70.130 -8.393 6.537 1.00 50.03 H new ATOM 0 HA GLN A 71 67.856 -6.965 7.793 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.875 -6.800 4.934 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.463 -5.977 5.566 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.330 -5.502 6.474 1.00 21.51 H new ATOM 0 HG3 GLN A 71 69.434 -4.481 5.368 1.00 21.51 H new ATOM 0 HE21 GLN A 71 67.784 -3.115 6.159 1.00 3.50 H new ATOM 0 HE22 GLN A 71 67.649 -2.750 7.882 1.00 3.50 H new ATOM 1121 N GLN A 72 66.472 -8.960 7.272 1.00 33.03 N ATOM 1122 CA GLN A 72 65.574 -10.080 6.963 1.00 64.41 C ATOM 1123 C GLN A 72 64.694 -9.795 5.752 1.00 73.12 C ATOM 1124 O GLN A 72 64.324 -10.697 5.021 1.00 1.14 O ATOM 1125 CB GLN A 72 64.706 -10.453 8.171 1.00 2.34 C ATOM 1126 CG GLN A 72 65.492 -10.935 9.377 1.00 64.34 C ATOM 1127 CD GLN A 72 64.601 -11.460 10.483 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.172 -10.717 11.360 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.326 -12.747 10.460 1.00 52.04 N ATOM 0 H GLN A 72 66.307 -8.534 8.184 1.00 33.03 H new ATOM 0 HA GLN A 72 66.213 -10.929 6.719 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.114 -9.585 8.461 1.00 2.34 H new ATOM 0 HB3 GLN A 72 64.005 -11.232 7.873 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.180 -11.721 9.066 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.098 -10.115 9.762 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.700 -13.335 9.715 1.00 52.04 H new ATOM 0 HE22 GLN A 72 63.739 -13.156 11.187 1.00 52.04 H new ATOM 1138 N HIS A 73 64.375 -8.528 5.544 1.00 20.12 N ATOM 1139 CA HIS A 73 63.545 -8.103 4.417 1.00 23.35 C ATOM 1140 C HIS A 73 64.279 -8.170 3.070 1.00 72.14 C ATOM 1141 O HIS A 73 63.684 -7.901 2.028 1.00 10.11 O ATOM 1142 CB HIS A 73 62.946 -6.686 4.658 1.00 41.31 C ATOM 1143 CG HIS A 73 63.955 -5.586 4.882 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.213 -5.042 6.121 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.775 -4.945 4.022 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.146 -4.130 6.012 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.508 -4.051 4.748 1.00 73.14 N ATOM 0 H HIS A 73 64.680 -7.764 6.146 1.00 20.12 H new ATOM 0 HA HIS A 73 62.724 -8.818 4.357 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.329 -6.420 3.800 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.285 -6.732 5.524 1.00 41.31 H new ATOM 0 HD2 HIS A 73 64.839 -5.109 2.956 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.551 -3.542 6.822 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.220 -3.424 4.373 1.00 73.14 H new ATOM 1155 N ILE A 74 65.547 -8.524 3.103 1.00 50.14 N ATOM 1156 CA ILE A 74 66.355 -8.613 1.904 1.00 22.31 C ATOM 1157 C ILE A 74 66.684 -10.057 1.613 1.00 55.40 C ATOM 1158 O ILE A 74 67.437 -10.694 2.349 1.00 73.00 O ATOM 1159 CB ILE A 74 67.675 -7.775 2.015 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.368 -6.279 2.107 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.636 -8.055 0.860 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.531 -5.755 0.952 1.00 73.44 C ATOM 0 H ILE A 74 66.046 -8.758 3.961 1.00 50.14 H new ATOM 0 HA ILE A 74 65.771 -8.194 1.084 1.00 22.31 H new ATOM 0 HB ILE A 74 68.171 -8.087 2.934 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.844 -6.081 3.042 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.307 -5.726 2.144 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.536 -7.451 0.981 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.905 -9.111 0.859 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.154 -7.802 -0.084 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.354 -4.688 1.086 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.061 -5.920 0.014 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.577 -6.281 0.926 1.00 73.44 H new ATOM 1174 N VAL A 75 66.118 -10.578 0.566 1.00 45.43 N ATOM 1175 CA VAL A 75 66.384 -11.932 0.190 1.00 24.42 C ATOM 1176 C VAL A 75 67.295 -11.926 -1.007 1.00 52.54 C ATOM 1177 O VAL A 75 66.995 -11.278 -2.000 1.00 42.31 O ATOM 1178 CB VAL A 75 65.100 -12.712 -0.165 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.421 -14.179 -0.408 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.050 -12.558 0.920 1.00 11.12 C ATOM 0 H VAL A 75 65.467 -10.083 -0.044 1.00 45.43 H new ATOM 0 HA VAL A 75 66.845 -12.430 1.043 1.00 24.42 H new ATOM 0 HB VAL A 75 64.689 -12.293 -1.084 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.505 -14.715 -0.657 1.00 1.24 H new ATOM 0 HG12 VAL A 75 66.128 -14.265 -1.233 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.860 -14.609 0.492 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.156 -13.118 0.644 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.441 -12.942 1.862 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.797 -11.504 1.034 1.00 11.12 H new ATOM 1190 N TYR A 76 68.401 -12.610 -0.919 1.00 5.33 N ATOM 1191 CA TYR A 76 69.306 -12.670 -2.032 1.00 2.23 C ATOM 1192 C TYR A 76 68.933 -13.803 -2.929 1.00 20.23 C ATOM 1193 O TYR A 76 68.535 -13.574 -4.058 1.00 22.13 O ATOM 1194 CB TYR A 76 70.764 -12.791 -1.590 1.00 71.42 C ATOM 1195 CG TYR A 76 71.278 -11.595 -0.831 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.298 -10.339 -1.421 1.00 34.51 C ATOM 1197 CD2 TYR A 76 71.768 -11.721 0.459 1.00 72.11 C ATOM 1198 CE1 TYR A 76 71.788 -9.243 -0.747 1.00 53.13 C ATOM 1199 CE2 TYR A 76 72.256 -10.629 1.140 1.00 3.12 C ATOM 1200 CZ TYR A 76 72.265 -9.393 0.534 1.00 44.23 C ATOM 1201 OH TYR A 76 72.755 -8.300 1.216 1.00 11.02 O ATOM 0 H TYR A 76 68.697 -13.131 -0.093 1.00 5.33 H new ATOM 0 HA TYR A 76 69.219 -11.731 -2.578 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.871 -13.678 -0.965 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.388 -12.945 -2.471 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.923 -10.219 -2.427 1.00 34.51 H new ATOM 0 HD2 TYR A 76 71.767 -12.690 0.937 1.00 72.11 H new ATOM 0 HE1 TYR A 76 71.798 -8.273 -1.221 1.00 53.13 H new ATOM 0 HE2 TYR A 76 72.631 -10.741 2.147 1.00 3.12 H new ATOM 0 HH TYR A 76 73.051 -8.577 2.108 1.00 11.02 H new ATOM 1211 N CYS A 77 69.035 -15.035 -2.408 1.00 54.53 N ATOM 1212 CA CYS A 77 68.740 -16.282 -3.148 1.00 52.14 C ATOM 1213 C CYS A 77 69.452 -16.345 -4.506 1.00 4.33 C ATOM 1214 O CYS A 77 69.017 -17.037 -5.440 1.00 62.20 O ATOM 1215 CB CYS A 77 67.214 -16.558 -3.254 1.00 61.41 C ATOM 1216 SG CYS A 77 66.201 -15.247 -3.971 1.00 54.33 S ATOM 0 H CYS A 77 69.329 -15.201 -1.446 1.00 54.53 H new ATOM 0 HA CYS A 77 69.156 -17.097 -2.556 1.00 52.14 H new ATOM 0 HB2 CYS A 77 67.072 -17.461 -3.848 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.836 -16.771 -2.254 1.00 61.41 H new ATOM 0 HG CYS A 77 66.960 -14.246 -4.307 1.00 54.33 H new ATOM 1222 N SER A 78 70.577 -15.675 -4.572 1.00 74.53 N ATOM 1223 CA SER A 78 71.370 -15.610 -5.745 1.00 1.24 C ATOM 1224 C SER A 78 72.060 -16.949 -5.937 1.00 20.30 C ATOM 1225 O SER A 78 72.487 -17.577 -4.947 1.00 21.43 O ATOM 1226 CB SER A 78 72.375 -14.490 -5.575 1.00 41.00 C ATOM 1227 OG SER A 78 71.710 -13.302 -5.139 1.00 62.31 O ATOM 0 H SER A 78 70.963 -15.153 -3.786 1.00 74.53 H new ATOM 0 HA SER A 78 70.764 -15.406 -6.628 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.135 -14.779 -4.849 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.889 -14.304 -6.518 1.00 41.00 H new ATOM 0 HG SER A 78 71.004 -13.069 -5.778 1.00 62.31 H new ATOM 1233 N ASN A 79 72.128 -17.401 -7.186 1.00 41.54 N ATOM 1234 CA ASN A 79 72.704 -18.713 -7.562 1.00 73.42 C ATOM 1235 C ASN A 79 71.750 -19.852 -7.251 1.00 0.00 C ATOM 1236 O ASN A 79 72.085 -21.025 -7.412 1.00 53.23 O ATOM 1237 CB ASN A 79 74.110 -18.974 -6.960 1.00 72.51 C ATOM 1238 CG ASN A 79 75.197 -18.130 -7.598 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.950 -17.035 -8.091 1.00 34.51 O ATOM 1240 ND2 ASN A 79 76.403 -18.611 -7.574 1.00 12.14 N ATOM 0 H ASN A 79 71.783 -16.868 -7.985 1.00 41.54 H new ATOM 0 HA ASN A 79 72.846 -18.671 -8.642 1.00 73.42 H new ATOM 0 HB2 ASN A 79 74.083 -18.772 -5.889 1.00 72.51 H new ATOM 0 HB3 ASN A 79 74.360 -20.028 -7.080 1.00 72.51 H new ATOM 0 HD21 ASN A 79 77.174 -18.075 -7.972 1.00 12.14 H new ATOM 0 HD22 ASN A 79 76.579 -19.525 -7.157 1.00 12.14 H new ATOM 1247 N ASP A 80 70.555 -19.511 -6.813 1.00 63.10 N ATOM 1248 CA ASP A 80 69.518 -20.499 -6.592 1.00 44.31 C ATOM 1249 C ASP A 80 68.518 -20.325 -7.717 1.00 54.24 C ATOM 1250 O ASP A 80 68.631 -19.372 -8.512 1.00 62.42 O ATOM 1251 CB ASP A 80 68.816 -20.304 -5.216 1.00 54.35 C ATOM 1252 CG ASP A 80 67.924 -21.493 -4.806 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.763 -21.583 -5.254 1.00 51.55 O ATOM 1254 OD2 ASP A 80 68.397 -22.368 -4.043 1.00 31.11 O ATOM 0 H ASP A 80 70.277 -18.553 -6.602 1.00 63.10 H new ATOM 0 HA ASP A 80 69.948 -21.501 -6.580 1.00 44.31 H new ATOM 0 HB2 ASP A 80 69.575 -20.148 -4.449 1.00 54.35 H new ATOM 0 HB3 ASP A 80 68.208 -19.400 -5.252 1.00 54.35 H new ATOM 1259 N LEU A 81 67.571 -21.185 -7.792 1.00 71.31 N ATOM 1260 CA LEU A 81 66.575 -21.132 -8.802 1.00 11.32 C ATOM 1261 C LEU A 81 65.477 -20.153 -8.366 1.00 12.11 C ATOM 1262 O LEU A 81 64.918 -19.455 -9.195 1.00 75.03 O ATOM 1263 CB LEU A 81 66.052 -22.574 -9.055 1.00 25.11 C ATOM 1264 CG LEU A 81 65.025 -22.817 -10.180 1.00 40.03 C ATOM 1265 CD1 LEU A 81 63.652 -22.341 -9.782 1.00 43.44 C ATOM 1266 CD2 LEU A 81 65.468 -22.150 -11.477 1.00 21.25 C ATOM 0 H LEU A 81 67.462 -21.962 -7.141 1.00 71.31 H new ATOM 0 HA LEU A 81 66.972 -20.761 -9.747 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.917 -23.205 -9.259 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.610 -22.930 -8.125 1.00 25.11 H new ATOM 0 HG LEU A 81 64.972 -23.893 -10.348 1.00 40.03 H new ATOM 0 HD11 LEU A 81 62.952 -22.527 -10.597 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.324 -22.879 -8.892 1.00 43.44 H new ATOM 0 HD13 LEU A 81 63.685 -21.273 -9.569 1.00 43.44 H new ATOM 0 HD21 LEU A 81 64.727 -22.337 -12.254 1.00 21.25 H new ATOM 0 HD22 LEU A 81 65.565 -21.076 -11.319 1.00 21.25 H new ATOM 0 HD23 LEU A 81 66.429 -22.560 -11.787 1.00 21.25 H new ATOM 1278 N LEU A 82 65.240 -20.077 -7.048 1.00 22.23 N ATOM 1279 CA LEU A 82 64.210 -19.224 -6.443 1.00 31.14 C ATOM 1280 C LEU A 82 64.209 -17.793 -7.000 1.00 51.53 C ATOM 1281 O LEU A 82 63.245 -17.377 -7.659 1.00 75.13 O ATOM 1282 CB LEU A 82 64.396 -19.188 -4.917 1.00 51.31 C ATOM 1283 CG LEU A 82 63.574 -18.137 -4.167 1.00 44.45 C ATOM 1284 CD1 LEU A 82 62.091 -18.367 -4.331 1.00 51.52 C ATOM 1285 CD2 LEU A 82 63.953 -18.086 -2.704 1.00 64.25 C ATOM 0 H LEU A 82 65.768 -20.616 -6.362 1.00 22.23 H new ATOM 0 HA LEU A 82 63.246 -19.663 -6.698 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.145 -20.170 -4.517 1.00 51.31 H new ATOM 0 HB3 LEU A 82 65.451 -19.016 -4.703 1.00 51.31 H new ATOM 0 HG LEU A 82 63.808 -17.169 -4.610 1.00 44.45 H new ATOM 0 HD11 LEU A 82 61.541 -17.601 -3.784 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.830 -18.316 -5.388 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.830 -19.350 -3.939 1.00 51.52 H new ATOM 0 HD21 LEU A 82 63.352 -17.330 -2.199 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.772 -19.059 -2.247 1.00 64.25 H new ATOM 0 HD23 LEU A 82 65.009 -17.832 -2.610 1.00 64.25 H new ATOM 1297 N GLY A 83 65.291 -17.065 -6.751 1.00 33.33 N ATOM 1298 CA GLY A 83 65.374 -15.690 -7.188 1.00 13.41 C ATOM 1299 C GLY A 83 65.329 -15.584 -8.675 1.00 23.02 C ATOM 1300 O GLY A 83 64.598 -14.748 -9.233 1.00 63.21 O ATOM 0 H GLY A 83 66.113 -17.406 -6.253 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.551 -15.120 -6.757 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.298 -15.245 -6.819 1.00 13.41 H new ATOM 1304 N ASP A 84 66.062 -16.478 -9.322 1.00 74.23 N ATOM 1305 CA ASP A 84 66.162 -16.522 -10.777 1.00 72.30 C ATOM 1306 C ASP A 84 64.787 -16.498 -11.377 1.00 60.45 C ATOM 1307 O ASP A 84 64.430 -15.534 -12.055 1.00 21.25 O ATOM 1308 CB ASP A 84 66.866 -17.803 -11.227 1.00 32.43 C ATOM 1309 CG ASP A 84 67.121 -17.841 -12.721 1.00 23.04 C ATOM 1310 OD1 ASP A 84 66.261 -18.300 -13.481 1.00 12.11 O ATOM 1311 OD2 ASP A 84 68.229 -17.432 -13.156 1.00 34.12 O ATOM 0 H ASP A 84 66.609 -17.199 -8.851 1.00 74.23 H new ATOM 0 HA ASP A 84 66.736 -15.657 -11.108 1.00 72.30 H new ATOM 0 HB2 ASP A 84 67.815 -17.895 -10.699 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.259 -18.664 -10.945 1.00 32.43 H new ATOM 1316 N LEU A 85 63.999 -17.493 -10.970 1.00 51.32 N ATOM 1317 CA LEU A 85 62.667 -17.800 -11.435 1.00 55.15 C ATOM 1318 C LEU A 85 61.679 -16.674 -11.145 1.00 45.10 C ATOM 1319 O LEU A 85 60.697 -16.480 -11.877 1.00 62.02 O ATOM 1320 CB LEU A 85 62.243 -19.029 -10.704 1.00 35.13 C ATOM 1321 CG LEU A 85 61.078 -19.776 -11.262 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.439 -20.453 -12.583 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.535 -20.760 -10.251 1.00 34.22 C ATOM 0 H LEU A 85 64.308 -18.149 -10.252 1.00 51.32 H new ATOM 0 HA LEU A 85 62.677 -17.937 -12.516 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.094 -19.709 -10.661 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.007 -18.749 -9.677 1.00 35.13 H new ATOM 0 HG LEU A 85 60.285 -19.060 -11.477 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.571 -20.990 -12.966 1.00 14.13 H new ATOM 0 HD12 LEU A 85 61.747 -19.698 -13.306 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.257 -21.155 -12.420 1.00 14.13 H new ATOM 0 HD21 LEU A 85 59.686 -21.292 -10.681 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.314 -21.474 -9.984 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.213 -20.224 -9.358 1.00 34.22 H new ATOM 1335 N PHE A 86 61.925 -15.952 -10.081 1.00 13.22 N ATOM 1336 CA PHE A 86 61.145 -14.768 -9.747 1.00 14.21 C ATOM 1337 C PHE A 86 61.431 -13.663 -10.754 1.00 25.43 C ATOM 1338 O PHE A 86 60.656 -12.717 -10.927 1.00 74.23 O ATOM 1339 CB PHE A 86 61.486 -14.303 -8.335 1.00 60.11 C ATOM 1340 CG PHE A 86 60.739 -15.001 -7.224 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.989 -16.147 -7.458 1.00 61.20 C ATOM 1342 CD2 PHE A 86 60.763 -14.477 -5.947 1.00 60.04 C ATOM 1343 CE1 PHE A 86 59.290 -16.748 -6.435 1.00 21.42 C ATOM 1344 CE2 PHE A 86 60.062 -15.070 -4.924 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.327 -16.204 -5.166 1.00 2.54 C ATOM 0 H PHE A 86 62.670 -16.161 -9.416 1.00 13.22 H new ATOM 0 HA PHE A 86 60.083 -15.012 -9.786 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.555 -14.441 -8.174 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.289 -13.233 -8.266 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.954 -16.570 -8.451 1.00 61.20 H new ATOM 0 HD2 PHE A 86 61.342 -13.587 -5.749 1.00 60.04 H new ATOM 0 HE1 PHE A 86 58.715 -17.642 -6.624 1.00 21.42 H new ATOM 0 HE2 PHE A 86 60.089 -14.645 -3.932 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.777 -16.671 -4.363 1.00 2.54 H new ATOM 1355 N GLY A 87 62.536 -13.815 -11.423 1.00 24.41 N ATOM 1356 CA GLY A 87 62.954 -12.880 -12.429 1.00 31.24 C ATOM 1357 C GLY A 87 63.928 -11.927 -11.847 1.00 3.13 C ATOM 1358 O GLY A 87 64.091 -10.811 -12.331 1.00 20.13 O ATOM 0 H GLY A 87 63.178 -14.596 -11.286 1.00 24.41 H new ATOM 0 HA2 GLY A 87 63.405 -13.410 -13.268 1.00 31.24 H new ATOM 0 HA3 GLY A 87 62.091 -12.341 -12.820 1.00 31.24 H new ATOM 1362 N VAL A 88 64.581 -12.358 -10.789 1.00 0.24 N ATOM 1363 CA VAL A 88 65.423 -11.440 -10.030 1.00 65.43 C ATOM 1364 C VAL A 88 66.779 -12.016 -9.606 1.00 62.04 C ATOM 1365 O VAL A 88 67.025 -13.224 -9.696 1.00 2.43 O ATOM 1366 CB VAL A 88 64.684 -10.898 -8.759 1.00 34.42 C ATOM 1367 CG1 VAL A 88 63.469 -10.062 -9.119 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.292 -12.020 -7.814 1.00 52.45 C ATOM 0 H VAL A 88 64.552 -13.314 -10.436 1.00 0.24 H new ATOM 0 HA VAL A 88 65.625 -10.628 -10.729 1.00 65.43 H new ATOM 0 HB VAL A 88 65.394 -10.252 -8.244 1.00 34.42 H new ATOM 0 HG11 VAL A 88 62.988 -9.707 -8.207 1.00 53.13 H new ATOM 0 HG12 VAL A 88 63.780 -9.208 -9.721 1.00 53.13 H new ATOM 0 HG13 VAL A 88 62.765 -10.669 -9.688 1.00 53.13 H new ATOM 0 HG21 VAL A 88 63.782 -11.603 -6.946 1.00 52.45 H new ATOM 0 HG22 VAL A 88 63.625 -12.712 -8.328 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.187 -12.551 -7.489 1.00 52.45 H new ATOM 1378 N PRO A 89 67.727 -11.134 -9.234 1.00 11.32 N ATOM 1379 CA PRO A 89 68.975 -11.543 -8.602 1.00 74.43 C ATOM 1380 C PRO A 89 68.792 -11.673 -7.078 1.00 61.01 C ATOM 1381 O PRO A 89 69.464 -12.466 -6.429 1.00 1.24 O ATOM 1382 CB PRO A 89 69.941 -10.378 -8.914 1.00 25.13 C ATOM 1383 CG PRO A 89 69.172 -9.432 -9.788 1.00 40.51 C ATOM 1384 CD PRO A 89 67.728 -9.688 -9.508 1.00 22.11 C ATOM 0 HA PRO A 89 69.331 -12.509 -8.962 1.00 74.43 H new ATOM 0 HB2 PRO A 89 70.268 -9.886 -7.998 1.00 25.13 H new ATOM 0 HB3 PRO A 89 70.837 -10.738 -9.420 1.00 25.13 H new ATOM 0 HG2 PRO A 89 69.434 -8.397 -9.567 1.00 40.51 H new ATOM 0 HG3 PRO A 89 69.401 -9.601 -10.840 1.00 40.51 H new ATOM 0 HD2 PRO A 89 67.368 -9.110 -8.657 1.00 22.11 H new ATOM 0 HD3 PRO A 89 67.095 -9.432 -10.358 1.00 22.11 H new ATOM 1392 N SER A 90 67.881 -10.857 -6.539 1.00 72.45 N ATOM 1393 CA SER A 90 67.515 -10.770 -5.136 1.00 0.12 C ATOM 1394 C SER A 90 66.164 -10.051 -5.071 1.00 72.25 C ATOM 1395 O SER A 90 65.760 -9.439 -6.079 1.00 42.34 O ATOM 1396 CB SER A 90 68.572 -9.958 -4.374 1.00 14.22 C ATOM 1397 OG SER A 90 69.839 -10.582 -4.466 1.00 32.43 O ATOM 0 H SER A 90 67.351 -10.202 -7.113 1.00 72.45 H new ATOM 0 HA SER A 90 67.453 -11.760 -4.685 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.627 -8.949 -4.782 1.00 14.22 H new ATOM 0 HB3 SER A 90 68.282 -9.864 -3.328 1.00 14.22 H new ATOM 0 HG SER A 90 69.741 -11.462 -4.886 1.00 32.43 H new ATOM 1403 N PHE A 91 65.476 -10.089 -3.936 1.00 22.52 N ATOM 1404 CA PHE A 91 64.172 -9.456 -3.845 1.00 23.10 C ATOM 1405 C PHE A 91 63.887 -8.925 -2.446 1.00 42.12 C ATOM 1406 O PHE A 91 64.502 -9.362 -1.461 1.00 74.32 O ATOM 1407 CB PHE A 91 63.034 -10.392 -4.335 1.00 64.21 C ATOM 1408 CG PHE A 91 62.697 -11.613 -3.477 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.348 -12.841 -3.635 1.00 11.25 C ATOM 1410 CD2 PHE A 91 61.679 -11.537 -2.546 1.00 4.31 C ATOM 1411 CE1 PHE A 91 62.984 -13.928 -2.878 1.00 2.33 C ATOM 1412 CE2 PHE A 91 61.317 -12.625 -1.803 1.00 61.22 C ATOM 1413 CZ PHE A 91 61.967 -13.821 -1.965 1.00 72.40 C ATOM 0 H PHE A 91 65.795 -10.544 -3.081 1.00 22.52 H new ATOM 0 HA PHE A 91 64.200 -8.598 -4.517 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.129 -9.794 -4.437 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.297 -10.745 -5.332 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.144 -12.935 -4.359 1.00 11.25 H new ATOM 0 HD2 PHE A 91 61.160 -10.601 -2.403 1.00 4.31 H new ATOM 0 HE1 PHE A 91 63.500 -14.869 -3.002 1.00 2.33 H new ATOM 0 HE2 PHE A 91 60.515 -12.542 -1.085 1.00 61.22 H new ATOM 0 HZ PHE A 91 61.678 -14.678 -1.374 1.00 72.40 H new ATOM 1423 N SER A 92 62.993 -7.964 -2.370 1.00 13.21 N ATOM 1424 CA SER A 92 62.580 -7.403 -1.117 1.00 63.42 C ATOM 1425 C SER A 92 61.153 -7.828 -0.817 1.00 12.35 C ATOM 1426 O SER A 92 60.263 -7.716 -1.665 1.00 65.40 O ATOM 1427 CB SER A 92 62.685 -5.876 -1.152 1.00 64.34 C ATOM 1428 OG SER A 92 62.276 -5.288 0.081 1.00 72.34 O ATOM 0 H SER A 92 62.534 -7.553 -3.183 1.00 13.21 H new ATOM 0 HA SER A 92 63.237 -7.771 -0.329 1.00 63.42 H new ATOM 0 HB2 SER A 92 63.714 -5.587 -1.369 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.068 -5.488 -1.962 1.00 64.34 H new ATOM 0 HG SER A 92 62.358 -4.313 0.022 1.00 72.34 H new ATOM 1434 N VAL A 93 60.934 -8.280 0.397 1.00 15.21 N ATOM 1435 CA VAL A 93 59.618 -8.750 0.841 1.00 44.32 C ATOM 1436 C VAL A 93 58.682 -7.574 1.160 1.00 70.53 C ATOM 1437 O VAL A 93 57.510 -7.755 1.521 1.00 62.34 O ATOM 1438 CB VAL A 93 59.746 -9.653 2.084 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.624 -10.844 1.777 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.315 -8.877 3.251 1.00 71.25 C ATOM 0 H VAL A 93 61.657 -8.337 1.114 1.00 15.21 H new ATOM 0 HA VAL A 93 59.190 -9.327 0.021 1.00 44.32 H new ATOM 0 HB VAL A 93 58.751 -10.007 2.355 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.706 -11.473 2.663 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.185 -11.420 0.962 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.616 -10.499 1.484 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.397 -9.532 4.118 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.302 -8.497 2.988 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.656 -8.042 3.489 1.00 71.25 H new ATOM 1450 N LYS A 94 59.220 -6.379 1.063 1.00 25.30 N ATOM 1451 CA LYS A 94 58.466 -5.171 1.311 1.00 34.12 C ATOM 1452 C LYS A 94 57.611 -4.816 0.112 1.00 43.13 C ATOM 1453 O LYS A 94 56.555 -4.188 0.247 1.00 62.22 O ATOM 1454 CB LYS A 94 59.421 -4.040 1.679 1.00 44.32 C ATOM 1455 CG LYS A 94 60.149 -4.303 2.982 1.00 11.41 C ATOM 1456 CD LYS A 94 59.210 -4.158 4.164 1.00 61.24 C ATOM 1457 CE LYS A 94 59.732 -4.891 5.377 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.948 -4.591 6.595 1.00 40.32 N ATOM 0 H LYS A 94 60.195 -6.217 0.809 1.00 25.30 H new ATOM 0 HA LYS A 94 57.789 -5.334 2.149 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.149 -3.908 0.879 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.862 -3.107 1.759 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.573 -5.307 2.970 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.981 -3.607 3.086 1.00 11.41 H new ATOM 0 HD2 LYS A 94 59.083 -3.102 4.402 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.226 -4.545 3.899 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.709 -5.964 5.188 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.774 -4.619 5.542 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.344 -5.116 7.401 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.990 -3.571 6.793 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.958 -4.874 6.449 1.00 40.32 H new ATOM 1472 N GLU A 95 58.039 -5.241 -1.043 1.00 41.22 N ATOM 1473 CA GLU A 95 57.297 -4.993 -2.239 1.00 25.25 C ATOM 1474 C GLU A 95 56.319 -6.097 -2.494 1.00 44.21 C ATOM 1475 O GLU A 95 56.613 -7.069 -3.173 1.00 11.24 O ATOM 1476 CB GLU A 95 58.181 -4.827 -3.419 1.00 62.12 C ATOM 1477 CG GLU A 95 59.088 -3.622 -3.349 1.00 1.24 C ATOM 1478 CD GLU A 95 58.311 -2.336 -3.407 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.068 -1.837 -4.518 1.00 35.23 O ATOM 1480 OE2 GLU A 95 57.916 -1.799 -2.348 1.00 30.24 O ATOM 0 H GLU A 95 58.904 -5.764 -1.178 1.00 41.22 H new ATOM 0 HA GLU A 95 56.757 -4.058 -2.088 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.793 -5.722 -3.529 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.563 -4.751 -4.314 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.667 -3.656 -2.426 1.00 1.24 H new ATOM 0 HG3 GLU A 95 59.800 -3.654 -4.174 1.00 1.24 H new ATOM 1487 N HIS A 96 55.172 -5.908 -1.953 1.00 61.03 N ATOM 1488 CA HIS A 96 54.047 -6.857 -2.030 1.00 22.11 C ATOM 1489 C HIS A 96 53.701 -7.137 -3.465 1.00 24.20 C ATOM 1490 O HIS A 96 53.539 -8.285 -3.864 1.00 4.12 O ATOM 1491 CB HIS A 96 52.783 -6.304 -1.352 1.00 0.11 C ATOM 1492 CG HIS A 96 52.822 -6.188 0.137 1.00 4.44 C ATOM 1493 ND1 HIS A 96 51.841 -6.707 0.948 1.00 0.33 N ATOM 1494 CD2 HIS A 96 53.680 -5.544 0.958 1.00 64.43 C ATOM 1495 CE1 HIS A 96 52.084 -6.387 2.197 1.00 53.21 C ATOM 1496 NE2 HIS A 96 53.199 -5.681 2.240 1.00 71.43 N ATOM 0 H HIS A 96 54.950 -5.068 -1.418 1.00 61.03 H new ATOM 0 HA HIS A 96 54.368 -7.764 -1.518 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.578 -5.317 -1.766 1.00 0.11 H new ATOM 0 HB3 HIS A 96 51.943 -6.944 -1.623 1.00 0.11 H new ATOM 0 HD1 HIS A 96 51.045 -7.258 0.627 1.00 0.33 H new ATOM 0 HD2 HIS A 96 54.577 -5.019 0.663 1.00 64.43 H new ATOM 0 HE1 HIS A 96 51.474 -6.656 3.047 1.00 53.21 H new ATOM 1504 N ARG A 97 53.636 -6.076 -4.244 1.00 61.45 N ATOM 1505 CA ARG A 97 53.253 -6.158 -5.636 1.00 2.00 C ATOM 1506 C ARG A 97 54.250 -6.981 -6.424 1.00 60.51 C ATOM 1507 O ARG A 97 53.867 -7.761 -7.305 1.00 63.44 O ATOM 1508 CB ARG A 97 53.096 -4.768 -6.237 1.00 25.22 C ATOM 1509 CG ARG A 97 52.050 -3.913 -5.532 1.00 31.52 C ATOM 1510 CD ARG A 97 51.909 -2.560 -6.191 1.00 61.22 C ATOM 1511 NE ARG A 97 53.166 -1.798 -6.216 1.00 52.14 N ATOM 1512 CZ ARG A 97 53.577 -1.048 -7.250 1.00 35.43 C ATOM 1513 NH1 ARG A 97 52.871 -1.017 -8.388 1.00 32.04 N ATOM 1514 NH2 ARG A 97 54.695 -0.345 -7.147 1.00 50.15 N ATOM 0 H ARG A 97 53.848 -5.130 -3.927 1.00 61.45 H new ATOM 0 HA ARG A 97 52.287 -6.660 -5.692 1.00 2.00 H new ATOM 0 HB2 ARG A 97 54.057 -4.255 -6.201 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.826 -4.864 -7.289 1.00 25.22 H new ATOM 0 HG2 ARG A 97 51.089 -4.427 -5.544 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.329 -3.783 -4.486 1.00 31.52 H new ATOM 0 HD2 ARG A 97 51.552 -2.695 -7.212 1.00 61.22 H new ATOM 0 HD3 ARG A 97 51.151 -1.982 -5.662 1.00 61.22 H new ATOM 0 HE ARG A 97 53.766 -1.842 -5.392 1.00 52.14 H new ATOM 0 HH11 ARG A 97 52.015 -1.566 -8.472 1.00 32.04 H new ATOM 0 HH12 ARG A 97 53.189 -0.445 -9.170 1.00 32.04 H new ATOM 0 HH21 ARG A 97 55.239 -0.375 -6.285 1.00 50.15 H new ATOM 0 HH22 ARG A 97 55.012 0.227 -7.930 1.00 50.15 H new ATOM 1528 N LYS A 98 55.528 -6.826 -6.103 1.00 3.30 N ATOM 1529 CA LYS A 98 56.555 -7.574 -6.718 1.00 1.24 C ATOM 1530 C LYS A 98 56.406 -9.036 -6.350 1.00 33.20 C ATOM 1531 O LYS A 98 56.548 -9.897 -7.198 1.00 63.32 O ATOM 1532 CB LYS A 98 57.912 -7.063 -6.266 1.00 62.12 C ATOM 1533 CG LYS A 98 59.022 -7.468 -7.187 1.00 4.31 C ATOM 1534 CD LYS A 98 58.898 -6.717 -8.493 1.00 4.22 C ATOM 1535 CE LYS A 98 59.402 -5.298 -8.350 1.00 21.35 C ATOM 1536 NZ LYS A 98 59.183 -4.492 -9.561 1.00 63.10 N ATOM 0 H LYS A 98 55.858 -6.165 -5.399 1.00 3.30 H new ATOM 0 HA LYS A 98 56.480 -7.465 -7.800 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.881 -5.976 -6.198 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.122 -7.439 -5.265 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.986 -7.257 -6.725 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.984 -8.542 -7.369 1.00 4.31 H new ATOM 0 HD2 LYS A 98 59.465 -7.232 -9.268 1.00 4.22 H new ATOM 0 HD3 LYS A 98 57.856 -6.707 -8.814 1.00 4.22 H new ATOM 0 HE2 LYS A 98 58.901 -4.822 -7.507 1.00 21.35 H new ATOM 0 HE3 LYS A 98 60.467 -5.317 -8.119 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 59.547 -3.530 -9.408 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 59.682 -4.927 -10.363 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 58.165 -4.448 -9.770 1.00 63.10 H new ATOM 1550 N ILE A 99 56.068 -9.299 -5.090 1.00 54.20 N ATOM 1551 CA ILE A 99 55.908 -10.665 -4.614 1.00 3.41 C ATOM 1552 C ILE A 99 54.847 -11.366 -5.431 1.00 32.52 C ATOM 1553 O ILE A 99 55.085 -12.446 -5.962 1.00 34.24 O ATOM 1554 CB ILE A 99 55.528 -10.755 -3.102 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.482 -9.929 -2.223 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.491 -12.205 -2.631 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.953 -10.133 -2.503 1.00 13.25 C ATOM 0 H ILE A 99 55.900 -8.583 -4.383 1.00 54.20 H new ATOM 0 HA ILE A 99 56.878 -11.149 -4.731 1.00 3.41 H new ATOM 0 HB ILE A 99 54.529 -10.331 -2.998 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.247 -8.873 -2.353 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.290 -10.172 -1.178 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.224 -12.238 -1.575 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.750 -12.757 -3.210 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.472 -12.658 -2.771 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.541 -9.507 -1.832 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.212 -11.180 -2.343 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.168 -9.860 -3.536 1.00 13.25 H new ATOM 1569 N TYR A 100 53.702 -10.700 -5.594 1.00 43.11 N ATOM 1570 CA TYR A 100 52.587 -11.264 -6.346 1.00 15.13 C ATOM 1571 C TYR A 100 53.011 -11.570 -7.757 1.00 34.44 C ATOM 1572 O TYR A 100 52.819 -12.669 -8.238 1.00 3.54 O ATOM 1573 CB TYR A 100 51.374 -10.322 -6.396 1.00 21.14 C ATOM 1574 CG TYR A 100 50.925 -9.795 -5.059 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.900 -10.606 -3.931 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.560 -8.466 -4.920 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.521 -10.107 -2.709 1.00 71.11 C ATOM 1578 CE2 TYR A 100 50.186 -7.955 -3.700 1.00 62.13 C ATOM 1579 CZ TYR A 100 50.167 -8.774 -2.599 1.00 51.34 C ATOM 1580 OH TYR A 100 49.810 -8.257 -1.384 1.00 40.22 O ATOM 0 H TYR A 100 53.526 -9.770 -5.214 1.00 43.11 H new ATOM 0 HA TYR A 100 52.293 -12.176 -5.826 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.615 -9.477 -7.041 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.541 -10.850 -6.860 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.183 -11.645 -4.017 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.569 -7.820 -5.785 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.499 -10.750 -1.841 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.909 -6.915 -3.608 1.00 62.13 H new ATOM 0 HH TYR A 100 50.202 -8.801 -0.669 1.00 40.22 H new ATOM 1590 N THR A 101 53.653 -10.615 -8.384 1.00 71.31 N ATOM 1591 CA THR A 101 54.046 -10.744 -9.766 1.00 4.12 C ATOM 1592 C THR A 101 55.154 -11.774 -10.003 1.00 22.22 C ATOM 1593 O THR A 101 55.145 -12.465 -11.013 1.00 14.53 O ATOM 1594 CB THR A 101 54.365 -9.385 -10.410 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.179 -8.587 -9.528 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.083 -8.647 -10.725 1.00 55.24 C ATOM 0 H THR A 101 53.917 -9.729 -7.953 1.00 71.31 H new ATOM 0 HA THR A 101 53.170 -11.144 -10.277 1.00 4.12 H new ATOM 0 HB THR A 101 54.916 -9.562 -11.334 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.617 -8.201 -8.824 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.319 -7.686 -11.181 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.483 -9.239 -11.416 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.521 -8.484 -9.805 1.00 55.24 H new ATOM 1604 N MET A 102 56.065 -11.912 -9.061 1.00 34.35 N ATOM 1605 CA MET A 102 57.137 -12.899 -9.172 1.00 63.42 C ATOM 1606 C MET A 102 56.587 -14.316 -9.075 1.00 13.22 C ATOM 1607 O MET A 102 57.097 -15.246 -9.707 1.00 73.13 O ATOM 1608 CB MET A 102 58.236 -12.659 -8.135 1.00 43.15 C ATOM 1609 CG MET A 102 59.005 -11.354 -8.339 1.00 11.42 C ATOM 1610 SD MET A 102 60.347 -11.112 -7.149 1.00 45.04 S ATOM 1611 CE MET A 102 59.456 -11.177 -5.601 1.00 54.24 C ATOM 0 H MET A 102 56.090 -11.356 -8.206 1.00 34.35 H new ATOM 0 HA MET A 102 57.590 -12.781 -10.156 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.789 -12.654 -7.141 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.939 -13.492 -8.165 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.418 -11.339 -9.348 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.310 -10.517 -8.266 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.124 -10.903 -4.785 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.618 -10.480 -5.634 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.081 -12.188 -5.439 1.00 54.24 H new ATOM 1621 N ILE A 103 55.521 -14.461 -8.326 1.00 3.21 N ATOM 1622 CA ILE A 103 54.852 -15.741 -8.174 1.00 52.20 C ATOM 1623 C ILE A 103 53.948 -15.955 -9.381 1.00 5.52 C ATOM 1624 O ILE A 103 53.930 -17.022 -9.989 1.00 70.30 O ATOM 1625 CB ILE A 103 54.013 -15.763 -6.870 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.930 -15.507 -5.668 1.00 12.42 C ATOM 1627 CG2 ILE A 103 53.280 -17.100 -6.718 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.198 -15.255 -4.357 1.00 2.12 C ATOM 0 H ILE A 103 55.089 -13.699 -7.803 1.00 3.21 H new ATOM 0 HA ILE A 103 55.592 -16.539 -8.112 1.00 52.20 H new ATOM 0 HB ILE A 103 53.261 -14.976 -6.918 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.590 -16.365 -5.542 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.563 -14.647 -5.887 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.698 -17.093 -5.797 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.613 -17.248 -7.567 1.00 5.55 H new ATOM 0 HG23 ILE A 103 54.007 -17.911 -6.682 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.924 -15.084 -3.562 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.559 -14.378 -4.460 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.586 -16.123 -4.109 1.00 2.12 H new ATOM 1640 N TYR A 104 53.251 -14.897 -9.750 1.00 40.11 N ATOM 1641 CA TYR A 104 52.353 -14.882 -10.881 1.00 44.15 C ATOM 1642 C TYR A 104 53.076 -15.184 -12.191 1.00 13.14 C ATOM 1643 O TYR A 104 52.501 -15.782 -13.091 1.00 40.12 O ATOM 1644 CB TYR A 104 51.571 -13.556 -10.900 1.00 10.23 C ATOM 1645 CG TYR A 104 51.347 -12.941 -12.247 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.292 -12.086 -12.765 1.00 54.33 C ATOM 1647 CD2 TYR A 104 50.199 -13.188 -12.979 1.00 23.41 C ATOM 1648 CE1 TYR A 104 52.114 -11.483 -13.981 1.00 5.31 C ATOM 1649 CE2 TYR A 104 50.008 -12.595 -14.207 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.971 -11.739 -14.705 1.00 60.51 C ATOM 1651 OH TYR A 104 50.775 -11.124 -15.923 1.00 1.15 O ATOM 0 H TYR A 104 53.297 -14.005 -9.258 1.00 40.11 H new ATOM 0 HA TYR A 104 51.628 -15.688 -10.773 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.600 -13.724 -10.434 1.00 10.23 H new ATOM 0 HB3 TYR A 104 52.103 -12.836 -10.278 1.00 10.23 H new ATOM 0 HD1 TYR A 104 53.192 -11.887 -12.202 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.445 -13.853 -12.583 1.00 23.41 H new ATOM 0 HE1 TYR A 104 52.865 -10.811 -14.370 1.00 5.31 H new ATOM 0 HE2 TYR A 104 49.113 -12.797 -14.776 1.00 54.14 H new ATOM 0 HH TYR A 104 49.920 -11.415 -16.302 1.00 1.15 H new ATOM 1661 N ARG A 105 54.340 -14.790 -12.276 1.00 53.53 N ATOM 1662 CA ARG A 105 55.197 -15.082 -13.433 1.00 5.51 C ATOM 1663 C ARG A 105 55.279 -16.595 -13.653 1.00 13.24 C ATOM 1664 O ARG A 105 55.462 -17.069 -14.770 1.00 2.23 O ATOM 1665 CB ARG A 105 56.628 -14.553 -13.179 1.00 24.32 C ATOM 1666 CG ARG A 105 57.578 -14.722 -14.367 1.00 13.52 C ATOM 1667 CD ARG A 105 59.027 -14.395 -14.005 1.00 62.13 C ATOM 1668 NE ARG A 105 59.894 -14.391 -15.200 1.00 23.52 N ATOM 1669 CZ ARG A 105 61.111 -14.961 -15.315 1.00 63.44 C ATOM 1670 NH1 ARG A 105 61.600 -15.727 -14.343 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.819 -14.780 -16.426 1.00 43.11 N ATOM 0 H ARG A 105 54.808 -14.256 -11.544 1.00 53.53 H new ATOM 0 HA ARG A 105 54.768 -14.597 -14.310 1.00 5.51 H new ATOM 0 HB2 ARG A 105 56.572 -13.496 -12.920 1.00 24.32 H new ATOM 0 HB3 ARG A 105 57.047 -15.071 -12.316 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.520 -15.747 -14.732 1.00 13.52 H new ATOM 0 HG3 ARG A 105 57.255 -14.075 -15.182 1.00 13.52 H new ATOM 0 HD2 ARG A 105 59.071 -13.420 -13.519 1.00 62.13 H new ATOM 0 HD3 ARG A 105 59.398 -15.126 -13.287 1.00 62.13 H new ATOM 0 HE ARG A 105 59.536 -13.907 -16.023 1.00 23.52 H new ATOM 0 HH11 ARG A 105 61.053 -15.889 -13.498 1.00 4.40 H new ATOM 0 HH12 ARG A 105 62.522 -16.152 -14.443 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.441 -14.213 -17.185 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.740 -15.208 -16.519 1.00 43.11 H new ATOM 1685 N ASN A 106 55.080 -17.336 -12.593 1.00 14.40 N ATOM 1686 CA ASN A 106 55.285 -18.760 -12.621 1.00 75.13 C ATOM 1687 C ASN A 106 54.008 -19.567 -12.617 1.00 64.35 C ATOM 1688 O ASN A 106 54.049 -20.802 -12.603 1.00 43.10 O ATOM 1689 CB ASN A 106 56.223 -19.191 -11.504 1.00 32.11 C ATOM 1690 CG ASN A 106 57.633 -18.729 -11.768 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.368 -19.404 -12.457 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.026 -17.591 -11.224 1.00 61.11 N ATOM 0 H ASN A 106 54.773 -16.971 -11.691 1.00 14.40 H new ATOM 0 HA ASN A 106 55.755 -18.978 -13.580 1.00 75.13 H new ATOM 0 HB2 ASN A 106 55.875 -18.782 -10.555 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.205 -20.277 -11.409 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.976 -17.253 -11.378 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.379 -17.050 -10.650 1.00 61.11 H new ATOM 1699 N LEU A 107 52.890 -18.905 -12.677 1.00 34.24 N ATOM 1700 CA LEU A 107 51.623 -19.600 -12.707 1.00 22.31 C ATOM 1701 C LEU A 107 50.888 -19.241 -13.983 1.00 22.33 C ATOM 1702 O LEU A 107 51.225 -18.252 -14.646 1.00 3.21 O ATOM 1703 CB LEU A 107 50.789 -19.280 -11.441 1.00 10.31 C ATOM 1704 CG LEU A 107 50.328 -17.832 -11.269 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.982 -17.577 -11.919 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.337 -17.404 -9.819 1.00 33.10 C ATOM 0 H LEU A 107 52.822 -17.888 -12.706 1.00 34.24 H new ATOM 0 HA LEU A 107 51.794 -20.677 -12.702 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.906 -19.920 -11.444 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.379 -19.555 -10.567 1.00 10.31 H new ATOM 0 HG LEU A 107 51.055 -17.211 -11.793 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.697 -16.535 -11.770 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.048 -17.786 -12.987 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.231 -18.226 -11.468 1.00 53.04 H new ATOM 0 HD21 LEU A 107 50.003 -16.369 -9.743 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.667 -18.045 -9.246 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.348 -17.489 -9.421 1.00 33.10 H new ATOM 1718 N VAL A 108 49.914 -20.022 -14.339 1.00 63.11 N ATOM 1719 CA VAL A 108 49.165 -19.769 -15.552 1.00 1.01 C ATOM 1720 C VAL A 108 47.746 -19.315 -15.243 1.00 71.42 C ATOM 1721 O VAL A 108 47.044 -19.942 -14.444 1.00 31.43 O ATOM 1722 CB VAL A 108 49.182 -20.966 -16.563 1.00 35.03 C ATOM 1723 CG1 VAL A 108 50.588 -21.192 -17.102 1.00 45.42 C ATOM 1724 CG2 VAL A 108 48.660 -22.246 -15.930 1.00 72.10 C ATOM 0 H VAL A 108 49.612 -20.842 -13.813 1.00 63.11 H new ATOM 0 HA VAL A 108 49.681 -18.952 -16.057 1.00 1.01 H new ATOM 0 HB VAL A 108 48.519 -20.702 -17.387 1.00 35.03 H new ATOM 0 HG11 VAL A 108 50.579 -22.027 -17.802 1.00 45.42 H new ATOM 0 HG12 VAL A 108 50.930 -20.293 -17.614 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.262 -21.418 -16.276 1.00 45.42 H new ATOM 0 HG21 VAL A 108 48.688 -23.052 -16.663 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.284 -22.510 -15.076 1.00 72.10 H new ATOM 0 HG23 VAL A 108 47.633 -22.094 -15.596 1.00 72.10 H new ATOM 1734 N VAL A 109 47.352 -18.213 -15.829 1.00 53.02 N ATOM 1735 CA VAL A 109 46.021 -17.659 -15.680 1.00 54.14 C ATOM 1736 C VAL A 109 45.517 -17.154 -17.005 1.00 41.24 C ATOM 1737 O VAL A 109 45.917 -16.058 -17.439 1.00 0.00 O ATOM 1738 CB VAL A 109 45.880 -16.563 -14.576 1.00 42.33 C ATOM 1739 CG1 VAL A 109 45.703 -17.193 -13.202 1.00 54.03 C ATOM 1740 CG2 VAL A 109 47.091 -15.669 -14.570 1.00 33.31 C ATOM 1741 OXT VAL A 109 44.734 -17.861 -17.651 1.00 0.00 O ATOM 0 H VAL A 109 47.957 -17.661 -16.437 1.00 53.02 H new ATOM 0 HA VAL A 109 45.400 -18.484 -15.332 1.00 54.14 H new ATOM 0 HB VAL A 109 44.994 -15.970 -14.804 1.00 42.33 H new ATOM 0 HG11 VAL A 109 45.607 -16.408 -12.452 1.00 54.03 H new ATOM 0 HG12 VAL A 109 44.805 -17.811 -13.198 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.570 -17.812 -12.971 1.00 54.03 H new ATOM 0 HG21 VAL A 109 46.979 -14.910 -13.796 1.00 33.31 H new ATOM 0 HG22 VAL A 109 47.982 -16.264 -14.369 1.00 33.31 H new ATOM 0 HG23 VAL A 109 47.190 -15.185 -15.541 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 61.024 0.156 9.312 1.00 70.03 N ATOM 1753 CA ASP B 301 60.060 -0.523 10.204 1.00 40.31 C ATOM 1754 C ASP B 301 60.756 -1.269 11.324 1.00 43.41 C ATOM 1755 O ASP B 301 60.120 -1.974 12.113 1.00 3.22 O ATOM 1756 CB ASP B 301 59.135 -1.458 9.434 1.00 55.03 C ATOM 1757 CG ASP B 301 59.882 -2.476 8.633 1.00 52.13 C ATOM 1758 OD1 ASP B 301 60.293 -3.505 9.168 1.00 23.31 O ATOM 1759 OD2 ASP B 301 60.066 -2.267 7.426 1.00 11.23 O ATOM 0 HA ASP B 301 59.449 0.261 10.652 1.00 40.31 H new ATOM 0 HB2 ASP B 301 58.474 -1.967 10.135 1.00 55.03 H new ATOM 0 HB3 ASP B 301 58.503 -0.870 8.769 1.00 55.03 H new ATOM 1766 N GLY B 302 62.040 -1.113 11.401 1.00 32.14 N ATOM 1767 CA GLY B 302 62.792 -1.699 12.453 1.00 10.15 C ATOM 1768 C GLY B 302 63.603 -2.859 11.981 1.00 44.11 C ATOM 1769 O GLY B 302 64.651 -2.694 11.336 1.00 74.13 O ATOM 0 H GLY B 302 62.592 -0.575 10.734 1.00 32.14 H new ATOM 0 HA2 GLY B 302 63.452 -0.949 12.889 1.00 10.15 H new ATOM 0 HA3 GLY B 302 62.116 -2.027 13.243 1.00 10.15 H new ATOM 1773 N GLY B 303 63.113 -3.999 12.265 1.00 50.33 N ATOM 1774 CA GLY B 303 63.760 -5.231 11.921 1.00 63.40 C ATOM 1775 C GLY B 303 62.773 -6.344 12.034 1.00 53.01 C ATOM 1776 O GLY B 303 62.921 -7.257 12.861 1.00 2.33 O ATOM 0 H GLY B 303 62.228 -4.122 12.756 1.00 50.33 H new ATOM 0 HA2 GLY B 303 64.155 -5.179 10.906 1.00 63.40 H new ATOM 0 HA3 GLY B 303 64.607 -5.410 12.584 1.00 63.40 H new ATOM 1780 N THR B 304 61.763 -6.261 11.228 1.00 72.21 N ATOM 1781 CA THR B 304 60.669 -7.171 11.258 1.00 53.02 C ATOM 1782 C THR B 304 61.062 -8.558 10.729 1.00 61.42 C ATOM 1783 O THR B 304 61.790 -8.680 9.731 1.00 41.25 O ATOM 1784 CB THR B 304 59.467 -6.542 10.527 1.00 73.35 C ATOM 1785 OG1 THR B 304 59.881 -6.026 9.244 1.00 53.13 O ATOM 1786 CG2 THR B 304 58.925 -5.391 11.366 1.00 11.42 C ATOM 0 H THR B 304 61.677 -5.539 10.513 1.00 72.21 H new ATOM 0 HA THR B 304 60.368 -7.348 12.291 1.00 53.02 H new ATOM 0 HB THR B 304 58.700 -7.302 10.380 1.00 73.35 H new ATOM 0 HG1 THR B 304 60.152 -5.089 9.340 1.00 53.13 H new ATOM 0 HG21 THR B 304 58.074 -4.939 10.857 1.00 11.42 H new ATOM 0 HG22 THR B 304 58.608 -5.767 12.339 1.00 11.42 H new ATOM 0 HG23 THR B 304 59.705 -4.642 11.503 1.00 11.42 H new ATOM 1794 N THR B 305 60.622 -9.592 11.436 1.00 33.52 N ATOM 1795 CA THR B 305 61.017 -10.946 11.123 1.00 3.31 C ATOM 1796 C THR B 305 60.456 -11.418 9.798 1.00 54.44 C ATOM 1797 O THR B 305 59.264 -11.192 9.481 1.00 34.54 O ATOM 1798 CB THR B 305 60.670 -11.968 12.258 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.120 -13.284 11.894 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.175 -12.018 12.548 1.00 31.13 C ATOM 0 H THR B 305 59.989 -9.510 12.232 1.00 33.52 H new ATOM 0 HA THR B 305 62.103 -10.912 11.040 1.00 3.31 H new ATOM 0 HB THR B 305 61.181 -11.630 13.159 1.00 43.20 H new ATOM 0 HG1 THR B 305 60.900 -13.915 12.611 1.00 13.01 H new ATOM 0 HG21 THR B 305 58.982 -12.740 13.341 1.00 31.13 H new ATOM 0 HG22 THR B 305 58.832 -11.032 12.863 1.00 31.13 H new ATOM 0 HG23 THR B 305 58.639 -12.317 11.647 1.00 31.13 H new ATOM 1808 N PHE B 306 61.317 -12.105 9.038 1.00 23.43 N ATOM 1809 CA PHE B 306 60.978 -12.667 7.743 1.00 31.21 C ATOM 1810 C PHE B 306 59.802 -13.637 7.869 1.00 61.12 C ATOM 1811 O PHE B 306 58.994 -13.778 6.961 1.00 3.43 O ATOM 1812 CB PHE B 306 62.205 -13.368 7.125 1.00 53.41 C ATOM 1813 CG PHE B 306 61.951 -13.962 5.771 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.052 -13.186 4.640 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.599 -15.294 5.632 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.807 -13.720 3.402 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.354 -15.831 4.396 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.458 -15.039 3.281 1.00 41.22 C ATOM 0 H PHE B 306 62.281 -12.284 9.318 1.00 23.43 H new ATOM 0 HA PHE B 306 60.677 -11.856 7.080 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.021 -12.649 7.048 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.538 -14.157 7.800 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.327 -12.145 4.728 1.00 73.14 H new ATOM 0 HD2 PHE B 306 61.517 -15.918 6.510 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.889 -13.100 2.521 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.081 -16.871 4.300 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.264 -15.457 2.304 1.00 41.22 H new ATOM 1828 N GLU B 307 59.687 -14.240 9.034 1.00 22.24 N ATOM 1829 CA GLU B 307 58.662 -15.218 9.312 1.00 73.43 C ATOM 1830 C GLU B 307 57.264 -14.593 9.224 1.00 33.30 C ATOM 1831 O GLU B 307 56.325 -15.205 8.704 1.00 31.35 O ATOM 1832 CB GLU B 307 58.885 -15.782 10.711 1.00 34.14 C ATOM 1833 CG GLU B 307 57.917 -16.875 11.110 1.00 23.45 C ATOM 1834 CD GLU B 307 58.138 -17.340 12.517 1.00 64.23 C ATOM 1835 OE1 GLU B 307 58.931 -18.272 12.728 1.00 13.13 O ATOM 1836 OE2 GLU B 307 57.522 -16.786 13.437 1.00 53.15 O ATOM 0 H GLU B 307 60.310 -14.061 9.821 1.00 22.24 H new ATOM 0 HA GLU B 307 58.723 -16.013 8.569 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.900 -16.173 10.773 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.812 -14.968 11.433 1.00 34.14 H new ATOM 0 HG2 GLU B 307 56.895 -16.509 11.006 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.024 -17.719 10.429 1.00 23.45 H new ATOM 1843 N HIS B 308 57.147 -13.358 9.662 1.00 4.31 N ATOM 1844 CA HIS B 308 55.851 -12.742 9.770 1.00 63.23 C ATOM 1845 C HIS B 308 55.508 -11.926 8.542 1.00 43.42 C ATOM 1846 O HIS B 308 54.495 -12.174 7.911 1.00 4.03 O ATOM 1847 CB HIS B 308 55.753 -11.870 11.033 1.00 63.24 C ATOM 1848 CG HIS B 308 54.387 -11.270 11.269 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.086 -9.950 11.014 1.00 22.21 N ATOM 1850 CD2 HIS B 308 53.249 -11.824 11.748 1.00 2.42 C ATOM 1851 CE1 HIS B 308 52.833 -9.713 11.319 1.00 61.43 C ATOM 1852 NE2 HIS B 308 52.294 -10.833 11.770 1.00 65.13 N ATOM 0 H HIS B 308 57.929 -12.768 9.946 1.00 4.31 H new ATOM 0 HA HIS B 308 55.124 -13.550 9.848 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.027 -12.473 11.899 1.00 63.24 H new ATOM 0 HB3 HIS B 308 56.484 -11.064 10.962 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.115 -12.851 12.055 1.00 2.42 H new ATOM 0 HE1 HIS B 308 52.327 -8.764 11.219 1.00 61.43 H new ATOM 0 HE2 HIS B 308 51.330 -10.944 12.083 1.00 65.13 H new ATOM 1860 N LEU B 309 56.376 -11.004 8.176 1.00 64.14 N ATOM 1861 CA LEU B 309 56.056 -10.018 7.129 1.00 52.01 C ATOM 1862 C LEU B 309 55.866 -10.647 5.740 1.00 42.30 C ATOM 1863 O LEU B 309 55.235 -10.059 4.860 1.00 13.44 O ATOM 1864 CB LEU B 309 57.084 -8.861 7.127 1.00 30.00 C ATOM 1865 CG LEU B 309 58.402 -8.986 6.329 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.336 -7.912 6.749 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.088 -10.296 6.495 1.00 12.40 C ATOM 0 H LEU B 309 57.308 -10.906 8.578 1.00 64.14 H new ATOM 0 HA LEU B 309 55.084 -9.593 7.379 1.00 52.01 H new ATOM 0 HB2 LEU B 309 56.569 -7.973 6.761 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.353 -8.668 8.165 1.00 30.00 H new ATOM 0 HG LEU B 309 58.128 -8.899 5.278 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.266 -7.999 6.187 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.884 -6.940 6.554 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.545 -8.008 7.814 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.004 -10.305 5.904 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.333 -10.448 7.546 1.00 12.40 H new ATOM 0 HD23 LEU B 309 58.430 -11.097 6.157 1.00 12.40 H new ATOM 1879 N TRP B 310 56.400 -11.834 5.572 1.00 43.14 N ATOM 1880 CA TRP B 310 56.276 -12.569 4.350 1.00 14.01 C ATOM 1881 C TRP B 310 54.964 -13.342 4.347 1.00 31.23 C ATOM 1882 O TRP B 310 54.207 -13.291 3.401 1.00 14.12 O ATOM 1883 CB TRP B 310 57.485 -13.501 4.180 1.00 43.11 C ATOM 1884 CG TRP B 310 57.387 -14.448 3.028 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.022 -15.741 3.090 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.652 -14.179 1.652 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.036 -16.299 1.842 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.421 -15.371 0.943 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.057 -13.060 0.958 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.582 -15.472 -0.432 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.219 -13.153 -0.402 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.984 -14.351 -1.089 1.00 52.42 C ATOM 0 H TRP B 310 56.938 -12.316 6.293 1.00 43.14 H new ATOM 0 HA TRP B 310 56.262 -11.883 3.503 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.381 -12.893 4.057 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.614 -14.077 5.096 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.756 -16.264 3.997 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.793 -17.266 1.625 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.243 -12.129 1.473 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.397 -16.398 -0.956 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.535 -12.281 -0.956 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.125 -14.385 -2.159 1.00 52.42 H new ATOM 1903 N SER B 311 54.671 -13.984 5.454 1.00 14.42 N ATOM 1904 CA SER B 311 53.489 -14.813 5.573 1.00 14.14 C ATOM 1905 C SER B 311 52.210 -13.963 5.734 1.00 41.41 C ATOM 1906 O SER B 311 51.112 -14.469 5.621 1.00 31.14 O ATOM 1907 CB SER B 311 53.649 -15.734 6.781 1.00 42.43 C ATOM 1908 OG SER B 311 54.889 -16.444 6.735 1.00 14.24 O ATOM 0 H SER B 311 55.243 -13.948 6.298 1.00 14.42 H new ATOM 0 HA SER B 311 53.385 -15.397 4.659 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.598 -15.146 7.698 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.822 -16.444 6.811 1.00 42.43 H new ATOM 0 HG SER B 311 55.438 -16.193 7.507 1.00 14.24 H new ATOM 1914 N SER B 312 52.386 -12.683 5.982 1.00 1.11 N ATOM 1915 CA SER B 312 51.304 -11.761 6.270 1.00 11.44 C ATOM 1916 C SER B 312 51.188 -10.675 5.197 1.00 60.40 C ATOM 1917 O SER B 312 50.602 -9.600 5.441 1.00 41.34 O ATOM 1918 CB SER B 312 51.542 -11.125 7.636 1.00 21.31 C ATOM 1919 OG SER B 312 51.605 -12.119 8.655 1.00 22.34 O ATOM 0 H SER B 312 53.306 -12.243 5.990 1.00 1.11 H new ATOM 0 HA SER B 312 50.367 -12.317 6.274 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.471 -10.556 7.620 1.00 21.31 H new ATOM 0 HB3 SER B 312 50.740 -10.421 7.858 1.00 21.31 H new ATOM 0 HG SER B 312 52.522 -12.457 8.726 1.00 22.34 H new ATOM 1925 N LEU B 313 51.721 -10.925 4.015 1.00 4.23 N ATOM 1926 CA LEU B 313 51.743 -9.874 3.026 1.00 14.51 C ATOM 1927 C LEU B 313 50.580 -9.981 2.066 1.00 52.23 C ATOM 1928 O LEU B 313 50.402 -9.122 1.222 1.00 52.02 O ATOM 1929 CB LEU B 313 53.123 -9.756 2.307 1.00 61.41 C ATOM 1930 CG LEU B 313 53.624 -10.919 1.424 1.00 1.40 C ATOM 1931 CD1 LEU B 313 52.914 -10.963 0.076 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.120 -10.812 1.220 1.00 23.23 C ATOM 0 H LEU B 313 52.130 -11.814 3.727 1.00 4.23 H new ATOM 0 HA LEU B 313 51.613 -8.933 3.560 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.090 -8.863 1.683 1.00 61.41 H new ATOM 0 HB3 LEU B 313 53.877 -9.581 3.075 1.00 61.41 H new ATOM 0 HG LEU B 313 53.393 -11.847 1.946 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.299 -11.797 -0.511 1.00 73.31 H new ATOM 0 HD12 LEU B 313 51.843 -11.093 0.233 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.091 -10.030 -0.459 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.462 -11.638 0.596 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.354 -9.866 0.731 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.623 -10.855 2.186 1.00 23.23 H new ATOM 1944 N GLU B 314 49.761 -10.993 2.252 1.00 50.02 N ATOM 1945 CA GLU B 314 48.650 -11.252 1.366 1.00 22.11 C ATOM 1946 C GLU B 314 47.542 -10.199 1.593 1.00 24.03 C ATOM 1947 O GLU B 314 47.467 -9.613 2.677 1.00 52.11 O ATOM 1948 CB GLU B 314 48.088 -12.672 1.587 1.00 41.12 C ATOM 1949 CG GLU B 314 47.338 -12.855 2.886 1.00 31.33 C ATOM 1950 CD GLU B 314 48.182 -13.068 4.102 1.00 73.45 C ATOM 1951 OE1 GLU B 314 48.550 -12.078 4.749 1.00 40.53 O ATOM 1952 OE2 GLU B 314 48.417 -14.226 4.472 1.00 13.23 O ATOM 0 H GLU B 314 49.847 -11.658 3.021 1.00 50.02 H new ATOM 0 HA GLU B 314 49.005 -11.184 0.338 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.422 -12.918 0.760 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.912 -13.384 1.555 1.00 41.12 H new ATOM 0 HG2 GLU B 314 46.714 -11.977 3.050 1.00 31.33 H new ATOM 0 HG3 GLU B 314 46.667 -13.707 2.779 1.00 31.33 H new ATOM 1959 N PRO B 315 46.681 -9.951 0.592 1.00 10.45 N ATOM 1960 CA PRO B 315 45.614 -8.945 0.688 1.00 54.32 C ATOM 1961 C PRO B 315 44.682 -9.165 1.873 1.00 3.22 C ATOM 1962 O PRO B 315 44.721 -8.402 2.845 1.00 2.51 O ATOM 1963 CB PRO B 315 44.862 -9.047 -0.648 1.00 25.23 C ATOM 1964 CG PRO B 315 45.351 -10.302 -1.297 1.00 44.42 C ATOM 1965 CD PRO B 315 46.705 -10.607 -0.715 1.00 62.12 C ATOM 0 HA PRO B 315 46.030 -7.953 0.862 1.00 54.32 H new ATOM 0 HB2 PRO B 315 43.784 -9.084 -0.488 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.062 -8.179 -1.276 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.660 -11.124 -1.114 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.417 -10.176 -2.378 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.867 -11.681 -0.620 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.507 -10.218 -1.343 1.00 62.12 H new ATOM 1973 N ASP B 316 43.905 -10.214 1.828 1.00 41.21 N ATOM 1974 CA ASP B 316 42.966 -10.506 2.876 1.00 41.22 C ATOM 1975 C ASP B 316 42.600 -11.947 2.824 1.00 10.30 C ATOM 1976 O ASP B 316 42.058 -12.383 1.797 1.00 0.00 O ATOM 1977 CB ASP B 316 41.718 -9.636 2.779 1.00 11.05 C ATOM 1978 CG ASP B 316 40.670 -10.013 3.816 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.788 -9.559 4.977 1.00 1.52 O ATOM 1980 OD2 ASP B 316 39.723 -10.757 3.496 1.00 52.21 O ATOM 1981 OXT ASP B 316 42.867 -12.673 3.791 1.00 0.00 O ATOM 0 H ASP B 316 43.906 -10.890 1.064 1.00 41.21 H new ATOM 0 HA ASP B 316 43.441 -10.281 3.831 1.00 41.22 H new ATOM 0 HB2 ASP B 316 41.996 -8.590 2.910 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.289 -9.730 1.781 1.00 11.05 H new TER 1986 ASP B 316