USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1241 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 CYS SG : rot 99:sc= -4.46! USER MOD Set 1.2: A 119 THR OG1 : rot -85:sc= -0.169 USER MOD Set 2.1: A 102 ASN : amide:sc= 1.44 K(o=2.8,f=-11!) USER MOD Set 2.2: A 125 LYS NZ :NH3+ 147:sc= 1.41 (180deg=-0.0131) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -1.62 K(o=-5.6,f=-7.1!) USER MOD Set 3.2: A 63 GLN : amide:sc= -1.62 K(o=-5.6,f=-11!) USER MOD Set 3.3: A 111 GLN : amide:sc= -2.39! C(o=-5.6!,f=-12!) USER MOD Set 4.1: A 62 CYS SG : rot -80:sc= -5.37! USER MOD Set 4.2: A 142 MET CE :methyl -131:sc= -0.988 (180deg=-1.33!) USER MOD Set 5.1: A 48 TYR OH : rot 11:sc= -0.665 USER MOD Set 5.2: A 76 LYS NZ :NH3+ 170:sc= 0.288 (180deg=-0.24) USER MOD Set 6.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 99 SER OG : rot 91:sc= 0.62 USER MOD Set 6.3: A 108 ASN : amide:sc= -0.482 K(o=-0.65,f=-2.2) USER MOD Set 6.4: A 126 HIS : no HE2:sc= -0.786 K(o=-0.65,f=-4.4!) USER MOD Set 7.1: A 5 THR OG1 : rot 160:sc= 1.04 USER MOD Set 7.2: A 133 LYS NZ :NH3+ 143:sc= 1.25 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.74) USER MOD Single : A 21 SER OG : rot 158:sc= -1.35! USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.779 (180deg=0.729) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.94! C(o=-2.9!,f=-9.1!) USER MOD Single : A 40 SER OG : rot 101:sc= 0.585 USER MOD Single : A 41 THR OG1 : rot -76:sc= 0.109 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= 1.14 (180deg=-0.618) USER MOD Single : A 51 SER OG : rot 160:sc= -0.176 USER MOD Single : A 52 CYS SG : rot 180:sc= -3.65! USER MOD Single : A 61 MET CE :methyl 139:sc= -3.86! (180deg=-7.51!) USER MOD Single : A 68 THR OG1 : rot 166:sc= 0.00774 USER MOD Single : A 70 HIS : no HD1:sc= -0.0576 X(o=-0.058,f=-0.0046) USER MOD Single : A 71 ASN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 73 THR OG1 : rot -50:sc= -0.365 USER MOD Single : A 77 SER OG : rot 120:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= -0.889 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 0.846 (180deg=0.732) USER MOD Single : A 87 ASN : amide:sc= -0.313 K(o=-0.31,f=-6.5!) USER MOD Single : A 91 LYS NZ :NH3+ -108:sc= -0.816 (180deg=-3.12!) USER MOD Single : A 92 HIS : no HD1:sc= 0.0323 K(o=0.032,f=-3.6!) USER MOD Single : A 93 THR OG1 : rot -33:sc= 0.271 USER MOD Single : A 100 MET CE :methyl 179:sc= 0 (180deg=-0.00259) USER MOD Single : A 106 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.55) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -83:sc= 0.163 USER MOD Single : A 116 THR OG1 : rot -109:sc= 0.8 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -127:sc= 0 (180deg=-1.22) USER MOD Single : A 137 ASN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 147 SER OG : rot 84:sc= 0.117 USER MOD Single : A 149 ASN : amide:sc= -0.377 K(o=-0.38,f=-6.3!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -85:sc= 0.197 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -154:sc= 0.621 (180deg=0.283) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -2.22! X(o=-2.2!,f=-2.5) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 3 -7.283 -2.899 16.336 1.00 52.43 N ATOM 37 CA ASN A 3 -6.497 -2.282 15.269 1.00 14.04 C ATOM 38 C ASN A 3 -4.994 -2.495 15.546 1.00 53.43 C ATOM 39 O ASN A 3 -4.439 -1.838 16.439 1.00 22.34 O ATOM 40 CB ASN A 3 -6.854 -0.776 15.175 1.00 10.03 C ATOM 41 CG ASN A 3 -8.339 -0.522 14.868 1.00 34.41 C ATOM 42 OD1 ASN A 3 -8.967 0.365 15.451 1.00 62.52 O ATOM 43 ND2 ASN A 3 -8.904 -1.264 13.924 1.00 22.00 N ATOM 0 HA ASN A 3 -6.730 -2.746 14.311 1.00 14.04 H new ATOM 0 HB2 ASN A 3 -6.596 -0.289 16.115 1.00 10.03 H new ATOM 0 HB3 ASN A 3 -6.245 -0.313 14.399 1.00 10.03 H new ATOM 0 HD21 ASN A 3 -9.878 -1.106 13.666 1.00 22.00 H new ATOM 0 HD22 ASN A 3 -8.364 -1.992 13.456 1.00 22.00 H new ATOM 50 N PRO A 4 -4.315 -3.444 14.820 1.00 31.31 N ATOM 51 CA PRO A 4 -2.855 -3.642 14.944 1.00 31.11 C ATOM 52 C PRO A 4 -2.056 -2.511 14.266 1.00 1.20 C ATOM 53 O PRO A 4 -2.461 -1.978 13.223 1.00 41.15 O ATOM 54 CB PRO A 4 -2.621 -5.009 14.251 1.00 62.53 C ATOM 55 CG PRO A 4 -3.740 -5.149 13.267 1.00 42.04 C ATOM 56 CD PRO A 4 -4.923 -4.432 13.880 1.00 51.34 C ATOM 0 HA PRO A 4 -2.515 -3.627 15.980 1.00 31.11 H new ATOM 0 HB2 PRO A 4 -1.652 -5.036 13.752 1.00 62.53 H new ATOM 0 HB3 PRO A 4 -2.630 -5.824 14.975 1.00 62.53 H new ATOM 0 HG2 PRO A 4 -3.472 -4.710 12.306 1.00 42.04 H new ATOM 0 HG3 PRO A 4 -3.971 -6.199 13.085 1.00 42.04 H new ATOM 0 HD2 PRO A 4 -5.525 -3.937 13.118 1.00 51.34 H new ATOM 0 HD3 PRO A 4 -5.580 -5.126 14.404 1.00 51.34 H new ATOM 64 N THR A 5 -0.921 -2.158 14.876 1.00 43.32 N ATOM 65 CA THR A 5 0.000 -1.145 14.360 1.00 33.14 C ATOM 66 C THR A 5 1.123 -1.858 13.598 1.00 53.12 C ATOM 67 O THR A 5 1.892 -2.590 14.205 1.00 44.01 O ATOM 68 CB THR A 5 0.592 -0.298 15.540 1.00 15.21 C ATOM 69 OG1 THR A 5 -0.470 0.373 16.236 1.00 53.21 O ATOM 70 CG2 THR A 5 1.635 0.731 15.071 1.00 14.24 C ATOM 0 H THR A 5 -0.613 -2.575 15.755 1.00 43.32 H new ATOM 0 HA THR A 5 -0.529 -0.466 13.691 1.00 33.14 H new ATOM 0 HB THR A 5 1.103 -0.992 16.207 1.00 15.21 H new ATOM 0 HG1 THR A 5 -0.164 0.629 17.131 1.00 53.21 H new ATOM 0 HG21 THR A 5 2.009 1.287 15.930 1.00 14.24 H new ATOM 0 HG22 THR A 5 2.462 0.215 14.585 1.00 14.24 H new ATOM 0 HG23 THR A 5 1.173 1.421 14.365 1.00 14.24 H new ATOM 78 N VAL A 6 1.209 -1.660 12.270 1.00 22.41 N ATOM 79 CA VAL A 6 2.238 -2.324 11.446 1.00 64.41 C ATOM 80 C VAL A 6 3.367 -1.334 11.201 1.00 21.01 C ATOM 81 O VAL A 6 3.171 -0.310 10.568 1.00 41.13 O ATOM 82 CB VAL A 6 1.665 -2.818 10.064 1.00 12.31 C ATOM 83 CG1 VAL A 6 2.729 -3.603 9.255 1.00 74.12 C ATOM 84 CG2 VAL A 6 0.396 -3.657 10.274 1.00 30.11 C ATOM 0 H VAL A 6 0.582 -1.049 11.746 1.00 22.41 H new ATOM 0 HA VAL A 6 2.594 -3.204 11.982 1.00 64.41 H new ATOM 0 HB VAL A 6 1.399 -1.938 9.478 1.00 12.31 H new ATOM 0 HG11 VAL A 6 2.299 -3.928 8.308 1.00 74.12 H new ATOM 0 HG12 VAL A 6 3.587 -2.959 9.062 1.00 74.12 H new ATOM 0 HG13 VAL A 6 3.050 -4.474 9.826 1.00 74.12 H new ATOM 0 HG21 VAL A 6 0.015 -3.989 9.308 1.00 30.11 H new ATOM 0 HG22 VAL A 6 0.632 -4.525 10.889 1.00 30.11 H new ATOM 0 HG23 VAL A 6 -0.361 -3.053 10.774 1.00 30.11 H new ATOM 94 N PHE A 7 4.559 -1.682 11.657 1.00 5.54 N ATOM 95 CA PHE A 7 5.714 -0.787 11.635 1.00 11.44 C ATOM 96 C PHE A 7 6.597 -1.135 10.440 1.00 54.25 C ATOM 97 O PHE A 7 6.885 -2.317 10.221 1.00 63.51 O ATOM 98 CB PHE A 7 6.495 -0.941 12.960 1.00 53.21 C ATOM 99 CG PHE A 7 7.783 -0.132 13.040 1.00 55.53 C ATOM 100 CD1 PHE A 7 7.766 1.186 13.468 1.00 74.00 C ATOM 101 CD2 PHE A 7 9.007 -0.689 12.660 1.00 23.10 C ATOM 102 CE1 PHE A 7 8.931 1.926 13.519 1.00 1.12 C ATOM 103 CE2 PHE A 7 10.170 0.048 12.710 1.00 4.54 C ATOM 104 CZ PHE A 7 10.133 1.354 13.142 1.00 73.44 C ATOM 0 H PHE A 7 4.758 -2.599 12.057 1.00 5.54 H new ATOM 0 HA PHE A 7 5.390 0.249 11.537 1.00 11.44 H new ATOM 0 HB2 PHE A 7 5.846 -0.646 13.784 1.00 53.21 H new ATOM 0 HB3 PHE A 7 6.735 -1.995 13.104 1.00 53.21 H new ATOM 0 HD1 PHE A 7 6.832 1.639 13.765 1.00 74.00 H new ATOM 0 HD2 PHE A 7 9.042 -1.714 12.322 1.00 23.10 H new ATOM 0 HE1 PHE A 7 8.904 2.952 13.854 1.00 1.12 H new ATOM 0 HE2 PHE A 7 11.107 -0.398 12.411 1.00 4.54 H new ATOM 0 HZ PHE A 7 11.043 1.933 13.187 1.00 73.44 H new ATOM 114 N PHE A 8 7.012 -0.107 9.681 1.00 43.13 N ATOM 115 CA PHE A 8 8.025 -0.235 8.625 1.00 64.04 C ATOM 116 C PHE A 8 9.020 0.928 8.676 1.00 74.31 C ATOM 117 O PHE A 8 8.754 1.990 9.255 1.00 1.33 O ATOM 118 CB PHE A 8 7.404 -0.291 7.201 1.00 20.14 C ATOM 119 CG PHE A 8 6.519 -1.502 6.917 1.00 31.22 C ATOM 120 CD1 PHE A 8 6.977 -2.801 7.136 1.00 64.23 C ATOM 121 CD2 PHE A 8 5.252 -1.339 6.397 1.00 12.21 C ATOM 122 CE1 PHE A 8 6.184 -3.894 6.841 1.00 44.31 C ATOM 123 CE2 PHE A 8 4.456 -2.425 6.106 1.00 11.21 C ATOM 124 CZ PHE A 8 4.921 -3.705 6.330 1.00 72.42 C ATOM 0 H PHE A 8 6.651 0.841 9.785 1.00 43.13 H new ATOM 0 HA PHE A 8 8.536 -1.178 8.816 1.00 64.04 H new ATOM 0 HB2 PHE A 8 6.815 0.612 7.045 1.00 20.14 H new ATOM 0 HB3 PHE A 8 8.212 -0.274 6.470 1.00 20.14 H new ATOM 0 HD1 PHE A 8 7.966 -2.955 7.542 1.00 64.23 H new ATOM 0 HD2 PHE A 8 4.877 -0.343 6.215 1.00 12.21 H new ATOM 0 HE1 PHE A 8 6.555 -4.894 7.011 1.00 44.31 H new ATOM 0 HE2 PHE A 8 3.466 -2.274 5.702 1.00 11.21 H new ATOM 0 HZ PHE A 8 4.295 -4.556 6.105 1.00 72.42 H new ATOM 134 N ASP A 9 10.163 0.685 8.035 1.00 73.35 N ATOM 135 CA ASP A 9 11.185 1.684 7.715 1.00 23.32 C ATOM 136 C ASP A 9 11.140 1.926 6.209 1.00 21.12 C ATOM 137 O ASP A 9 11.381 1.010 5.425 1.00 45.52 O ATOM 138 CB ASP A 9 12.592 1.187 8.148 1.00 10.51 C ATOM 139 CG ASP A 9 12.852 1.328 9.656 1.00 34.51 C ATOM 140 OD1 ASP A 9 13.193 2.437 10.090 1.00 63.25 O ATOM 141 OD2 ASP A 9 12.694 0.350 10.404 1.00 73.35 O ATOM 0 H ASP A 9 10.413 -0.249 7.711 1.00 73.35 H new ATOM 0 HA ASP A 9 10.989 2.611 8.253 1.00 23.32 H new ATOM 0 HB2 ASP A 9 12.703 0.140 7.864 1.00 10.51 H new ATOM 0 HB3 ASP A 9 13.351 1.747 7.602 1.00 10.51 H new ATOM 146 N ILE A 10 10.767 3.143 5.815 1.00 73.31 N ATOM 147 CA ILE A 10 10.786 3.568 4.413 1.00 34.12 C ATOM 148 C ILE A 10 12.193 4.077 4.072 1.00 14.33 C ATOM 149 O ILE A 10 12.666 5.036 4.689 1.00 32.22 O ATOM 150 CB ILE A 10 9.709 4.682 4.153 1.00 10.03 C ATOM 151 CG1 ILE A 10 8.268 4.137 4.444 1.00 45.41 C ATOM 152 CG2 ILE A 10 9.822 5.266 2.726 1.00 74.32 C ATOM 153 CD1 ILE A 10 7.855 2.894 3.657 1.00 23.05 C ATOM 0 H ILE A 10 10.442 3.864 6.459 1.00 73.31 H new ATOM 0 HA ILE A 10 10.540 2.722 3.771 1.00 34.12 H new ATOM 0 HB ILE A 10 9.903 5.502 4.844 1.00 10.03 H new ATOM 0 HG12 ILE A 10 8.193 3.912 5.508 1.00 45.41 H new ATOM 0 HG13 ILE A 10 7.551 4.931 4.235 1.00 45.41 H new ATOM 0 HG21 ILE A 10 9.060 6.033 2.585 1.00 74.32 H new ATOM 0 HG22 ILE A 10 10.810 5.706 2.590 1.00 74.32 H new ATOM 0 HG23 ILE A 10 9.676 4.471 1.995 1.00 74.32 H new ATOM 0 HD11 ILE A 10 6.842 2.606 3.938 1.00 23.05 H new ATOM 0 HD12 ILE A 10 7.888 3.112 2.589 1.00 23.05 H new ATOM 0 HD13 ILE A 10 8.540 2.077 3.882 1.00 23.05 H new ATOM 165 N ALA A 11 12.855 3.420 3.108 1.00 3.44 N ATOM 166 CA ALA A 11 14.234 3.737 2.715 1.00 53.35 C ATOM 167 C ALA A 11 14.302 4.182 1.261 1.00 42.24 C ATOM 168 O ALA A 11 13.753 3.522 0.381 1.00 34.52 O ATOM 169 CB ALA A 11 15.134 2.520 2.923 1.00 63.22 C ATOM 0 H ALA A 11 12.446 2.651 2.577 1.00 3.44 H new ATOM 0 HA ALA A 11 14.582 4.557 3.343 1.00 53.35 H new ATOM 0 HB1 ALA A 11 16.154 2.767 2.628 1.00 63.22 H new ATOM 0 HB2 ALA A 11 15.120 2.232 3.974 1.00 63.22 H new ATOM 0 HB3 ALA A 11 14.771 1.691 2.315 1.00 63.22 H new ATOM 175 N VAL A 12 14.990 5.301 1.032 1.00 53.32 N ATOM 176 CA VAL A 12 15.339 5.792 -0.299 1.00 3.40 C ATOM 177 C VAL A 12 16.771 5.331 -0.613 1.00 31.23 C ATOM 178 O VAL A 12 17.720 5.735 0.067 1.00 0.41 O ATOM 179 CB VAL A 12 15.214 7.361 -0.357 1.00 64.31 C ATOM 180 CG1 VAL A 12 15.732 7.937 -1.694 1.00 0.42 C ATOM 181 CG2 VAL A 12 13.747 7.784 -0.097 1.00 45.40 C ATOM 0 H VAL A 12 15.327 5.903 1.783 1.00 53.32 H new ATOM 0 HA VAL A 12 14.655 5.390 -1.046 1.00 3.40 H new ATOM 0 HB VAL A 12 15.846 7.777 0.427 1.00 64.31 H new ATOM 0 HG11 VAL A 12 15.626 9.022 -1.688 1.00 0.42 H new ATOM 0 HG12 VAL A 12 16.783 7.676 -1.820 1.00 0.42 H new ATOM 0 HG13 VAL A 12 15.153 7.520 -2.518 1.00 0.42 H new ATOM 0 HG21 VAL A 12 13.669 8.870 -0.139 1.00 45.40 H new ATOM 0 HG22 VAL A 12 13.101 7.344 -0.857 1.00 45.40 H new ATOM 0 HG23 VAL A 12 13.437 7.436 0.888 1.00 45.40 H new ATOM 191 N ASP A 13 16.883 4.429 -1.604 1.00 31.34 N ATOM 192 CA ASP A 13 18.156 3.842 -2.082 1.00 32.44 C ATOM 193 C ASP A 13 18.861 3.021 -0.982 1.00 2.23 C ATOM 194 O ASP A 13 20.080 2.809 -1.037 1.00 52.31 O ATOM 195 CB ASP A 13 19.116 4.925 -2.671 1.00 54.21 C ATOM 196 CG ASP A 13 18.447 5.889 -3.662 1.00 64.05 C ATOM 197 OD1 ASP A 13 17.657 5.429 -4.525 1.00 4.22 O ATOM 198 OD2 ASP A 13 18.738 7.105 -3.603 1.00 55.13 O ATOM 0 H ASP A 13 16.071 4.076 -2.111 1.00 31.34 H new ATOM 0 HA ASP A 13 17.896 3.158 -2.890 1.00 32.44 H new ATOM 0 HB2 ASP A 13 19.541 5.503 -1.850 1.00 54.21 H new ATOM 0 HB3 ASP A 13 19.945 4.425 -3.171 1.00 54.21 H new ATOM 203 N GLY A 14 18.075 2.530 -0.003 1.00 62.32 N ATOM 204 CA GLY A 14 18.604 1.773 1.132 1.00 61.23 C ATOM 205 C GLY A 14 18.767 2.616 2.384 1.00 52.04 C ATOM 206 O GLY A 14 18.801 2.079 3.497 1.00 23.24 O ATOM 0 H GLY A 14 17.062 2.650 0.017 1.00 62.32 H new ATOM 0 HA2 GLY A 14 17.937 0.938 1.347 1.00 61.23 H new ATOM 0 HA3 GLY A 14 19.570 1.347 0.859 1.00 61.23 H new ATOM 210 N GLU A 15 18.848 3.947 2.203 1.00 51.04 N ATOM 211 CA GLU A 15 19.000 4.908 3.304 1.00 72.43 C ATOM 212 C GLU A 15 17.622 5.228 3.921 1.00 42.13 C ATOM 213 O GLU A 15 16.780 5.808 3.231 1.00 11.25 O ATOM 214 CB GLU A 15 19.672 6.202 2.780 1.00 61.02 C ATOM 215 CG GLU A 15 21.088 5.989 2.212 1.00 20.43 C ATOM 216 CD GLU A 15 22.068 5.432 3.260 1.00 73.14 C ATOM 217 OE1 GLU A 15 22.493 6.198 4.150 1.00 42.01 O ATOM 218 OE2 GLU A 15 22.398 4.225 3.213 1.00 54.41 O ATOM 0 H GLU A 15 18.809 4.385 1.283 1.00 51.04 H new ATOM 0 HA GLU A 15 19.632 4.471 4.077 1.00 72.43 H new ATOM 0 HB2 GLU A 15 19.042 6.637 2.004 1.00 61.02 H new ATOM 0 HB3 GLU A 15 19.723 6.927 3.592 1.00 61.02 H new ATOM 0 HG2 GLU A 15 21.037 5.303 1.367 1.00 20.43 H new ATOM 0 HG3 GLU A 15 21.469 6.936 1.831 1.00 20.43 H new ATOM 225 N PRO A 16 17.368 4.852 5.222 1.00 62.14 N ATOM 226 CA PRO A 16 16.055 5.064 5.879 1.00 71.12 C ATOM 227 C PRO A 16 15.679 6.564 5.945 1.00 61.12 C ATOM 228 O PRO A 16 16.300 7.352 6.671 1.00 44.21 O ATOM 229 CB PRO A 16 16.238 4.425 7.288 1.00 71.12 C ATOM 230 CG PRO A 16 17.718 4.414 7.516 1.00 50.31 C ATOM 231 CD PRO A 16 18.335 4.201 6.152 1.00 2.44 C ATOM 0 HA PRO A 16 15.229 4.612 5.331 1.00 71.12 H new ATOM 0 HB2 PRO A 16 15.724 5.005 8.055 1.00 71.12 H new ATOM 0 HB3 PRO A 16 15.825 3.417 7.321 1.00 71.12 H new ATOM 0 HG2 PRO A 16 18.054 5.353 7.957 1.00 50.31 H new ATOM 0 HG3 PRO A 16 18.003 3.618 8.204 1.00 50.31 H new ATOM 0 HD2 PRO A 16 19.324 4.655 6.084 1.00 2.44 H new ATOM 0 HD3 PRO A 16 18.455 3.141 5.928 1.00 2.44 H new ATOM 239 N LEU A 17 14.675 6.935 5.137 1.00 54.33 N ATOM 240 CA LEU A 17 14.150 8.307 5.053 1.00 33.22 C ATOM 241 C LEU A 17 13.264 8.605 6.275 1.00 51.43 C ATOM 242 O LEU A 17 13.245 9.732 6.788 1.00 44.31 O ATOM 243 CB LEU A 17 13.326 8.478 3.741 1.00 53.14 C ATOM 244 CG LEU A 17 12.682 9.889 3.503 1.00 55.21 C ATOM 245 CD1 LEU A 17 13.756 10.986 3.377 1.00 10.11 C ATOM 246 CD2 LEU A 17 11.736 9.882 2.281 1.00 13.53 C ATOM 0 H LEU A 17 14.198 6.282 4.515 1.00 54.33 H new ATOM 0 HA LEU A 17 14.984 9.009 5.042 1.00 33.22 H new ATOM 0 HB2 LEU A 17 13.977 8.252 2.896 1.00 53.14 H new ATOM 0 HB3 LEU A 17 12.530 7.734 3.738 1.00 53.14 H new ATOM 0 HG LEU A 17 12.079 10.122 4.380 1.00 55.21 H new ATOM 0 HD11 LEU A 17 13.274 11.950 3.213 1.00 10.11 H new ATOM 0 HD12 LEU A 17 14.345 11.026 4.294 1.00 10.11 H new ATOM 0 HD13 LEU A 17 14.410 10.760 2.535 1.00 10.11 H new ATOM 0 HD21 LEU A 17 11.308 10.875 2.146 1.00 13.53 H new ATOM 0 HD22 LEU A 17 12.297 9.604 1.388 1.00 13.53 H new ATOM 0 HD23 LEU A 17 10.935 9.161 2.445 1.00 13.53 H new ATOM 258 N GLY A 18 12.538 7.573 6.729 1.00 54.43 N ATOM 259 CA GLY A 18 11.697 7.685 7.910 1.00 13.01 C ATOM 260 C GLY A 18 11.045 6.372 8.296 1.00 73.10 C ATOM 261 O GLY A 18 11.224 5.355 7.623 1.00 62.30 O ATOM 0 H GLY A 18 12.522 6.653 6.289 1.00 54.43 H new ATOM 0 HA2 GLY A 18 12.298 8.046 8.745 1.00 13.01 H new ATOM 0 HA3 GLY A 18 10.922 8.430 7.729 1.00 13.01 H new ATOM 265 N ARG A 19 10.294 6.414 9.403 1.00 42.15 N ATOM 266 CA ARG A 19 9.586 5.258 9.964 1.00 71.12 C ATOM 267 C ARG A 19 8.080 5.514 9.884 1.00 2.34 C ATOM 268 O ARG A 19 7.575 6.474 10.478 1.00 42.12 O ATOM 269 CB ARG A 19 10.040 5.029 11.433 1.00 34.20 C ATOM 270 CG ARG A 19 11.535 4.675 11.564 1.00 1.14 C ATOM 271 CD ARG A 19 12.007 4.422 13.010 1.00 45.11 C ATOM 272 NE ARG A 19 13.287 3.679 13.044 1.00 31.43 N ATOM 273 CZ ARG A 19 14.161 3.664 14.070 1.00 73.21 C ATOM 274 NH1 ARG A 19 13.932 4.364 15.185 1.00 3.31 N ATOM 275 NH2 ARG A 19 15.260 2.924 13.982 1.00 22.01 N ATOM 0 H ARG A 19 10.159 7.268 9.944 1.00 42.15 H new ATOM 0 HA ARG A 19 9.820 4.358 9.396 1.00 71.12 H new ATOM 0 HB2 ARG A 19 9.835 5.929 12.013 1.00 34.20 H new ATOM 0 HB3 ARG A 19 9.445 4.226 11.869 1.00 34.20 H new ATOM 0 HG2 ARG A 19 11.739 3.786 10.968 1.00 1.14 H new ATOM 0 HG3 ARG A 19 12.126 5.486 11.139 1.00 1.14 H new ATOM 0 HD2 ARG A 19 12.125 5.375 13.527 1.00 45.11 H new ATOM 0 HD3 ARG A 19 11.245 3.859 13.549 1.00 45.11 H new ATOM 0 HE ARG A 19 13.529 3.130 12.219 1.00 31.43 H new ATOM 0 HH11 ARG A 19 13.083 4.923 15.271 1.00 3.31 H new ATOM 0 HH12 ARG A 19 14.606 4.339 15.950 1.00 3.31 H new ATOM 0 HH21 ARG A 19 15.438 2.373 13.143 1.00 22.01 H new ATOM 0 HH22 ARG A 19 15.927 2.907 14.754 1.00 22.01 H new ATOM 289 N VAL A 20 7.379 4.673 9.112 1.00 33.53 N ATOM 290 CA VAL A 20 5.933 4.791 8.888 1.00 64.21 C ATOM 291 C VAL A 20 5.221 3.574 9.497 1.00 60.43 C ATOM 292 O VAL A 20 5.482 2.431 9.098 1.00 11.53 O ATOM 293 CB VAL A 20 5.597 4.897 7.350 1.00 11.45 C ATOM 294 CG1 VAL A 20 4.076 5.010 7.112 1.00 11.11 C ATOM 295 CG2 VAL A 20 6.351 6.081 6.703 1.00 0.01 C ATOM 0 H VAL A 20 7.803 3.886 8.622 1.00 33.53 H new ATOM 0 HA VAL A 20 5.583 5.704 9.370 1.00 64.21 H new ATOM 0 HB VAL A 20 5.936 3.978 6.872 1.00 11.45 H new ATOM 0 HG11 VAL A 20 3.879 5.081 6.042 1.00 11.11 H new ATOM 0 HG12 VAL A 20 3.578 4.128 7.514 1.00 11.11 H new ATOM 0 HG13 VAL A 20 3.695 5.901 7.611 1.00 11.11 H new ATOM 0 HG21 VAL A 20 6.104 6.134 5.643 1.00 0.01 H new ATOM 0 HG22 VAL A 20 6.057 7.010 7.191 1.00 0.01 H new ATOM 0 HG23 VAL A 20 7.425 5.935 6.818 1.00 0.01 H new ATOM 305 N SER A 21 4.347 3.831 10.474 1.00 3.40 N ATOM 306 CA SER A 21 3.490 2.806 11.064 1.00 14.24 C ATOM 307 C SER A 21 2.045 3.012 10.565 1.00 25.01 C ATOM 308 O SER A 21 1.560 4.153 10.444 1.00 65.01 O ATOM 309 CB SER A 21 3.561 2.860 12.601 1.00 32.14 C ATOM 310 OG SER A 21 3.186 4.135 13.086 1.00 31.21 O ATOM 0 H SER A 21 4.216 4.759 10.877 1.00 3.40 H new ATOM 0 HA SER A 21 3.835 1.819 10.757 1.00 14.24 H new ATOM 0 HB2 SER A 21 2.905 2.099 13.025 1.00 32.14 H new ATOM 0 HB3 SER A 21 4.574 2.627 12.929 1.00 32.14 H new ATOM 0 HG SER A 21 2.893 4.057 14.018 1.00 31.21 H new ATOM 316 N PHE A 22 1.383 1.898 10.263 1.00 4.25 N ATOM 317 CA PHE A 22 0.007 1.859 9.771 1.00 0.23 C ATOM 318 C PHE A 22 -0.912 1.321 10.867 1.00 13.33 C ATOM 319 O PHE A 22 -0.450 0.788 11.876 1.00 71.10 O ATOM 320 CB PHE A 22 -0.082 0.966 8.505 1.00 11.34 C ATOM 321 CG PHE A 22 0.844 1.416 7.379 1.00 40.25 C ATOM 322 CD1 PHE A 22 0.449 2.408 6.481 1.00 12.24 C ATOM 323 CD2 PHE A 22 2.107 0.844 7.215 1.00 24.15 C ATOM 324 CE1 PHE A 22 1.286 2.808 5.459 1.00 73.41 C ATOM 325 CE2 PHE A 22 2.939 1.253 6.193 1.00 51.33 C ATOM 326 CZ PHE A 22 2.528 2.230 5.315 1.00 33.14 C ATOM 0 H PHE A 22 1.800 0.972 10.356 1.00 4.25 H new ATOM 0 HA PHE A 22 -0.309 2.868 9.505 1.00 0.23 H new ATOM 0 HB2 PHE A 22 0.161 -0.061 8.776 1.00 11.34 H new ATOM 0 HB3 PHE A 22 -1.110 0.965 8.142 1.00 11.34 H new ATOM 0 HD1 PHE A 22 -0.522 2.868 6.587 1.00 12.24 H new ATOM 0 HD2 PHE A 22 2.436 0.073 7.896 1.00 24.15 H new ATOM 0 HE1 PHE A 22 0.966 3.576 4.770 1.00 73.41 H new ATOM 0 HE2 PHE A 22 3.915 0.805 6.082 1.00 51.33 H new ATOM 0 HZ PHE A 22 3.180 2.544 4.513 1.00 33.14 H new ATOM 336 N GLU A 23 -2.211 1.462 10.638 1.00 42.41 N ATOM 337 CA GLU A 23 -3.266 1.001 11.541 1.00 4.33 C ATOM 338 C GLU A 23 -4.271 0.187 10.718 1.00 53.53 C ATOM 339 O GLU A 23 -5.008 0.753 9.897 1.00 52.31 O ATOM 340 CB GLU A 23 -3.954 2.219 12.213 1.00 25.15 C ATOM 341 CG GLU A 23 -5.142 1.853 13.122 1.00 12.31 C ATOM 342 CD GLU A 23 -5.834 3.071 13.748 1.00 51.22 C ATOM 343 OE1 GLU A 23 -6.375 3.905 12.993 1.00 51.13 O ATOM 344 OE2 GLU A 23 -5.875 3.183 14.994 1.00 2.33 O ATOM 0 H GLU A 23 -2.573 1.912 9.797 1.00 42.41 H new ATOM 0 HA GLU A 23 -2.851 0.377 12.332 1.00 4.33 H new ATOM 0 HB2 GLU A 23 -3.214 2.760 12.802 1.00 25.15 H new ATOM 0 HB3 GLU A 23 -4.302 2.899 11.436 1.00 25.15 H new ATOM 0 HG2 GLU A 23 -5.872 1.289 12.542 1.00 12.31 H new ATOM 0 HG3 GLU A 23 -4.791 1.196 13.918 1.00 12.31 H new ATOM 351 N LEU A 24 -4.255 -1.145 10.896 1.00 30.52 N ATOM 352 CA LEU A 24 -5.153 -2.047 10.166 1.00 1.22 C ATOM 353 C LEU A 24 -6.521 -2.088 10.861 1.00 31.33 C ATOM 354 O LEU A 24 -6.607 -2.377 12.055 1.00 13.32 O ATOM 355 CB LEU A 24 -4.566 -3.480 10.061 1.00 33.21 C ATOM 356 CG LEU A 24 -3.126 -3.614 9.477 1.00 63.42 C ATOM 357 CD1 LEU A 24 -2.743 -5.099 9.294 1.00 72.31 C ATOM 358 CD2 LEU A 24 -2.955 -2.822 8.164 1.00 43.43 C ATOM 0 H LEU A 24 -3.626 -1.620 11.543 1.00 30.52 H new ATOM 0 HA LEU A 24 -5.267 -1.662 9.153 1.00 1.22 H new ATOM 0 HB2 LEU A 24 -4.570 -3.922 11.058 1.00 33.21 H new ATOM 0 HB3 LEU A 24 -5.238 -4.077 9.445 1.00 33.21 H new ATOM 0 HG LEU A 24 -2.440 -3.174 10.200 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -1.735 -5.167 8.886 1.00 72.31 H new ATOM 0 HD12 LEU A 24 -2.779 -5.605 10.259 1.00 72.31 H new ATOM 0 HD13 LEU A 24 -3.445 -5.574 8.609 1.00 72.31 H new ATOM 0 HD21 LEU A 24 -1.937 -2.945 7.795 1.00 43.43 H new ATOM 0 HD22 LEU A 24 -3.658 -3.195 7.420 1.00 43.43 H new ATOM 0 HD23 LEU A 24 -3.149 -1.765 8.349 1.00 43.43 H new ATOM 370 N PHE A 25 -7.580 -1.791 10.109 1.00 25.21 N ATOM 371 CA PHE A 25 -8.958 -1.833 10.606 1.00 0.12 C ATOM 372 C PHE A 25 -9.507 -3.259 10.455 1.00 74.32 C ATOM 373 O PHE A 25 -10.414 -3.515 9.658 1.00 4.43 O ATOM 374 CB PHE A 25 -9.820 -0.796 9.844 1.00 52.42 C ATOM 375 CG PHE A 25 -9.200 0.604 9.794 1.00 33.14 C ATOM 376 CD1 PHE A 25 -9.308 1.474 10.875 1.00 71.50 C ATOM 377 CD2 PHE A 25 -8.505 1.045 8.662 1.00 73.33 C ATOM 378 CE1 PHE A 25 -8.744 2.736 10.830 1.00 54.13 C ATOM 379 CE2 PHE A 25 -7.943 2.305 8.621 1.00 54.41 C ATOM 380 CZ PHE A 25 -8.065 3.151 9.704 1.00 24.22 C ATOM 0 H PHE A 25 -7.507 -1.512 9.131 1.00 25.21 H new ATOM 0 HA PHE A 25 -8.988 -1.571 11.664 1.00 0.12 H new ATOM 0 HB2 PHE A 25 -9.981 -1.149 8.825 1.00 52.42 H new ATOM 0 HB3 PHE A 25 -10.800 -0.733 10.318 1.00 52.42 H new ATOM 0 HD1 PHE A 25 -9.839 1.159 11.761 1.00 71.50 H new ATOM 0 HD2 PHE A 25 -8.407 0.390 7.809 1.00 73.33 H new ATOM 0 HE1 PHE A 25 -8.836 3.398 11.679 1.00 54.13 H new ATOM 0 HE2 PHE A 25 -7.408 2.629 7.741 1.00 54.41 H new ATOM 0 HZ PHE A 25 -7.629 4.138 9.670 1.00 24.22 H new ATOM 390 N ALA A 26 -8.915 -4.188 11.229 1.00 43.30 N ATOM 391 CA ALA A 26 -9.271 -5.621 11.212 1.00 5.12 C ATOM 392 C ALA A 26 -10.735 -5.851 11.647 1.00 4.12 C ATOM 393 O ALA A 26 -11.362 -6.843 11.265 1.00 11.00 O ATOM 394 CB ALA A 26 -8.290 -6.411 12.101 1.00 43.12 C ATOM 0 H ALA A 26 -8.170 -3.964 11.889 1.00 43.30 H new ATOM 0 HA ALA A 26 -9.188 -5.985 10.188 1.00 5.12 H new ATOM 0 HB1 ALA A 26 -8.556 -7.468 12.086 1.00 43.12 H new ATOM 0 HB2 ALA A 26 -7.275 -6.287 11.723 1.00 43.12 H new ATOM 0 HB3 ALA A 26 -8.344 -6.038 13.124 1.00 43.12 H new ATOM 400 N ASP A 27 -11.263 -4.903 12.429 1.00 70.12 N ATOM 401 CA ASP A 27 -12.643 -4.936 12.953 1.00 13.41 C ATOM 402 C ASP A 27 -13.701 -4.681 11.853 1.00 52.14 C ATOM 403 O ASP A 27 -14.881 -4.987 12.041 1.00 21.55 O ATOM 404 CB ASP A 27 -12.792 -3.886 14.079 1.00 42.55 C ATOM 405 CG ASP A 27 -12.707 -2.422 13.583 1.00 32.01 C ATOM 406 OD1 ASP A 27 -11.657 -2.023 13.032 1.00 34.13 O ATOM 407 OD2 ASP A 27 -13.695 -1.672 13.736 1.00 71.51 O ATOM 0 H ASP A 27 -10.741 -4.078 12.723 1.00 70.12 H new ATOM 0 HA ASP A 27 -12.822 -5.938 13.344 1.00 13.41 H new ATOM 0 HB2 ASP A 27 -13.749 -4.036 14.578 1.00 42.55 H new ATOM 0 HB3 ASP A 27 -12.014 -4.053 14.824 1.00 42.55 H new ATOM 412 N LYS A 28 -13.274 -4.082 10.726 1.00 3.25 N ATOM 413 CA LYS A 28 -14.163 -3.741 9.585 1.00 11.14 C ATOM 414 C LYS A 28 -13.857 -4.624 8.366 1.00 32.40 C ATOM 415 O LYS A 28 -14.769 -5.070 7.668 1.00 52.25 O ATOM 416 CB LYS A 28 -14.004 -2.241 9.221 1.00 62.00 C ATOM 417 CG LYS A 28 -14.416 -1.283 10.357 1.00 4.34 C ATOM 418 CD LYS A 28 -14.174 0.201 10.019 1.00 45.25 C ATOM 419 CE LYS A 28 -14.596 1.137 11.161 1.00 32.31 C ATOM 420 NZ LYS A 28 -13.854 0.862 12.421 1.00 63.13 N ATOM 0 H LYS A 28 -12.301 -3.817 10.574 1.00 3.25 H new ATOM 0 HA LYS A 28 -15.195 -3.927 9.884 1.00 11.14 H new ATOM 0 HB2 LYS A 28 -12.965 -2.049 8.954 1.00 62.00 H new ATOM 0 HB3 LYS A 28 -14.605 -2.024 8.338 1.00 62.00 H new ATOM 0 HG2 LYS A 28 -15.472 -1.430 10.582 1.00 4.34 H new ATOM 0 HG3 LYS A 28 -13.860 -1.539 11.259 1.00 4.34 H new ATOM 0 HD2 LYS A 28 -13.117 0.353 9.800 1.00 45.25 H new ATOM 0 HD3 LYS A 28 -14.728 0.460 9.117 1.00 45.25 H new ATOM 0 HE2 LYS A 28 -14.427 2.171 10.861 1.00 32.31 H new ATOM 0 HE3 LYS A 28 -15.666 1.028 11.341 1.00 32.31 H new ATOM 0 HZ1 LYS A 28 -14.123 1.561 13.142 1.00 63.13 H new ATOM 0 HZ2 LYS A 28 -14.088 -0.093 12.760 1.00 63.13 H new ATOM 0 HZ3 LYS A 28 -12.831 0.925 12.243 1.00 63.13 H new ATOM 434 N VAL A 29 -12.558 -4.856 8.114 1.00 31.24 N ATOM 435 CA VAL A 29 -12.073 -5.671 6.980 1.00 24.22 C ATOM 436 C VAL A 29 -11.066 -6.732 7.485 1.00 24.22 C ATOM 437 O VAL A 29 -9.846 -6.603 7.284 1.00 12.12 O ATOM 438 CB VAL A 29 -11.452 -4.764 5.839 1.00 72.41 C ATOM 439 CG1 VAL A 29 -12.549 -4.009 5.067 1.00 52.20 C ATOM 440 CG2 VAL A 29 -10.428 -3.760 6.416 1.00 30.42 C ATOM 0 H VAL A 29 -11.807 -4.482 8.694 1.00 31.24 H new ATOM 0 HA VAL A 29 -12.922 -6.191 6.537 1.00 24.22 H new ATOM 0 HB VAL A 29 -10.935 -5.428 5.146 1.00 72.41 H new ATOM 0 HG11 VAL A 29 -12.091 -3.395 4.291 1.00 52.20 H new ATOM 0 HG12 VAL A 29 -13.230 -4.726 4.608 1.00 52.20 H new ATOM 0 HG13 VAL A 29 -13.104 -3.370 5.754 1.00 52.20 H new ATOM 0 HG21 VAL A 29 -10.020 -3.152 5.609 1.00 30.42 H new ATOM 0 HG22 VAL A 29 -10.921 -3.114 7.142 1.00 30.42 H new ATOM 0 HG23 VAL A 29 -9.620 -4.305 6.904 1.00 30.42 H new ATOM 450 N PRO A 30 -11.569 -7.814 8.174 1.00 60.54 N ATOM 451 CA PRO A 30 -10.704 -8.850 8.782 1.00 43.20 C ATOM 452 C PRO A 30 -9.821 -9.574 7.750 1.00 33.15 C ATOM 453 O PRO A 30 -8.672 -9.854 8.038 1.00 33.31 O ATOM 454 CB PRO A 30 -11.706 -9.823 9.470 1.00 71.01 C ATOM 455 CG PRO A 30 -13.022 -9.571 8.800 1.00 54.13 C ATOM 456 CD PRO A 30 -13.012 -8.106 8.424 1.00 3.21 C ATOM 0 HA PRO A 30 -9.988 -8.417 9.481 1.00 43.20 H new ATOM 0 HB2 PRO A 30 -11.394 -10.860 9.348 1.00 71.01 H new ATOM 0 HB3 PRO A 30 -11.767 -9.633 10.542 1.00 71.01 H new ATOM 0 HG2 PRO A 30 -13.140 -10.201 7.919 1.00 54.13 H new ATOM 0 HG3 PRO A 30 -13.852 -9.799 9.468 1.00 54.13 H new ATOM 0 HD2 PRO A 30 -13.618 -7.916 7.538 1.00 3.21 H new ATOM 0 HD3 PRO A 30 -13.413 -7.484 9.224 1.00 3.21 H new ATOM 464 N LYS A 31 -10.365 -9.822 6.546 1.00 64.11 N ATOM 465 CA LYS A 31 -9.671 -10.572 5.473 1.00 52.34 C ATOM 466 C LYS A 31 -8.457 -9.813 4.935 1.00 64.50 C ATOM 467 O LYS A 31 -7.347 -10.347 4.883 1.00 54.45 O ATOM 468 CB LYS A 31 -10.669 -10.844 4.324 1.00 75.02 C ATOM 469 CG LYS A 31 -10.126 -11.635 3.118 1.00 5.41 C ATOM 470 CD LYS A 31 -11.248 -12.052 2.144 1.00 32.30 C ATOM 471 CE LYS A 31 -12.301 -12.950 2.818 1.00 71.45 C ATOM 472 NZ LYS A 31 -13.413 -13.313 1.903 1.00 22.13 N ATOM 0 H LYS A 31 -11.300 -9.509 6.284 1.00 64.11 H new ATOM 0 HA LYS A 31 -9.308 -11.510 5.894 1.00 52.34 H new ATOM 0 HB2 LYS A 31 -11.521 -11.387 4.733 1.00 75.02 H new ATOM 0 HB3 LYS A 31 -11.044 -9.886 3.963 1.00 75.02 H new ATOM 0 HG2 LYS A 31 -9.393 -11.028 2.587 1.00 5.41 H new ATOM 0 HG3 LYS A 31 -9.606 -12.525 3.473 1.00 5.41 H new ATOM 0 HD2 LYS A 31 -11.734 -11.160 1.749 1.00 32.30 H new ATOM 0 HD3 LYS A 31 -10.812 -12.580 1.296 1.00 32.30 H new ATOM 0 HE2 LYS A 31 -11.820 -13.860 3.178 1.00 71.45 H new ATOM 0 HE3 LYS A 31 -12.706 -12.437 3.690 1.00 71.45 H new ATOM 0 HZ1 LYS A 31 -14.093 -13.918 2.406 1.00 22.13 H new ATOM 0 HZ2 LYS A 31 -13.892 -12.449 1.579 1.00 22.13 H new ATOM 0 HZ3 LYS A 31 -13.034 -13.827 1.083 1.00 22.13 H new ATOM 486 N THR A 32 -8.693 -8.553 4.558 1.00 44.23 N ATOM 487 CA THR A 32 -7.712 -7.736 3.837 1.00 23.02 C ATOM 488 C THR A 32 -6.618 -7.200 4.796 1.00 51.42 C ATOM 489 O THR A 32 -5.454 -7.038 4.396 1.00 11.41 O ATOM 490 CB THR A 32 -8.439 -6.571 3.089 1.00 21.43 C ATOM 491 OG1 THR A 32 -9.560 -7.087 2.338 1.00 22.11 O ATOM 492 CG2 THR A 32 -7.503 -5.847 2.117 1.00 35.11 C ATOM 0 H THR A 32 -9.572 -8.070 4.745 1.00 44.23 H new ATOM 0 HA THR A 32 -7.211 -8.360 3.097 1.00 23.02 H new ATOM 0 HB THR A 32 -8.776 -5.865 3.848 1.00 21.43 H new ATOM 0 HG1 THR A 32 -10.010 -6.350 1.874 1.00 22.11 H new ATOM 0 HG21 THR A 32 -8.047 -5.045 1.618 1.00 35.11 H new ATOM 0 HG22 THR A 32 -6.661 -5.427 2.667 1.00 35.11 H new ATOM 0 HG23 THR A 32 -7.134 -6.553 1.373 1.00 35.11 H new ATOM 500 N ALA A 33 -6.997 -6.959 6.070 1.00 32.01 N ATOM 501 CA ALA A 33 -6.047 -6.565 7.125 1.00 75.13 C ATOM 502 C ALA A 33 -5.166 -7.766 7.518 1.00 64.04 C ATOM 503 O ALA A 33 -3.941 -7.640 7.580 1.00 73.11 O ATOM 504 CB ALA A 33 -6.799 -6.010 8.343 1.00 33.21 C ATOM 0 H ALA A 33 -7.962 -7.032 6.391 1.00 32.01 H new ATOM 0 HA ALA A 33 -5.399 -5.776 6.742 1.00 75.13 H new ATOM 0 HB1 ALA A 33 -6.083 -5.724 9.113 1.00 33.21 H new ATOM 0 HB2 ALA A 33 -7.380 -5.137 8.045 1.00 33.21 H new ATOM 0 HB3 ALA A 33 -7.469 -6.775 8.737 1.00 33.21 H new ATOM 510 N GLU A 34 -5.813 -8.939 7.741 1.00 12.14 N ATOM 511 CA GLU A 34 -5.119 -10.202 8.100 1.00 31.31 C ATOM 512 C GLU A 34 -4.125 -10.620 7.003 1.00 20.24 C ATOM 513 O GLU A 34 -3.059 -11.170 7.291 1.00 3.21 O ATOM 514 CB GLU A 34 -6.147 -11.342 8.313 1.00 70.53 C ATOM 515 CG GLU A 34 -5.569 -12.689 8.790 1.00 73.52 C ATOM 516 CD GLU A 34 -4.866 -12.601 10.155 1.00 23.25 C ATOM 517 OE1 GLU A 34 -5.563 -12.602 11.198 1.00 21.42 O ATOM 518 OE2 GLU A 34 -3.621 -12.534 10.194 1.00 65.03 O ATOM 0 H GLU A 34 -6.826 -9.035 7.677 1.00 12.14 H new ATOM 0 HA GLU A 34 -4.571 -10.024 9.025 1.00 31.31 H new ATOM 0 HB2 GLU A 34 -6.886 -11.007 9.041 1.00 70.53 H new ATOM 0 HB3 GLU A 34 -6.676 -11.508 7.375 1.00 70.53 H new ATOM 0 HG2 GLU A 34 -6.374 -13.421 8.851 1.00 73.52 H new ATOM 0 HG3 GLU A 34 -4.860 -13.056 8.047 1.00 73.52 H new ATOM 525 N ASN A 35 -4.518 -10.348 5.748 1.00 1.33 N ATOM 526 CA ASN A 35 -3.711 -10.623 4.558 1.00 3.04 C ATOM 527 C ASN A 35 -2.337 -9.938 4.659 1.00 60.42 C ATOM 528 O ASN A 35 -1.313 -10.609 4.779 1.00 14.14 O ATOM 529 CB ASN A 35 -4.470 -10.151 3.289 1.00 52.24 C ATOM 530 CG ASN A 35 -3.673 -10.321 1.999 1.00 64.22 C ATOM 531 OD1 ASN A 35 -2.882 -11.238 1.857 1.00 35.53 O ATOM 532 ND2 ASN A 35 -3.863 -9.424 1.060 1.00 62.22 N ATOM 0 H ASN A 35 -5.421 -9.924 5.533 1.00 1.33 H new ATOM 0 HA ASN A 35 -3.542 -11.698 4.488 1.00 3.04 H new ATOM 0 HB2 ASN A 35 -5.403 -10.709 3.206 1.00 52.24 H new ATOM 0 HB3 ASN A 35 -4.736 -9.100 3.405 1.00 52.24 H new ATOM 0 HD21 ASN A 35 -3.343 -9.484 0.185 1.00 62.22 H new ATOM 0 HD22 ASN A 35 -4.531 -8.667 1.205 1.00 62.22 H new ATOM 539 N PHE A 36 -2.358 -8.597 4.682 1.00 21.10 N ATOM 540 CA PHE A 36 -1.146 -7.759 4.712 1.00 71.14 C ATOM 541 C PHE A 36 -0.316 -8.016 5.984 1.00 72.54 C ATOM 542 O PHE A 36 0.917 -7.986 5.947 1.00 23.30 O ATOM 543 CB PHE A 36 -1.559 -6.280 4.627 1.00 53.25 C ATOM 544 CG PHE A 36 -0.406 -5.276 4.525 1.00 55.35 C ATOM 545 CD1 PHE A 36 0.224 -5.033 3.301 1.00 21.33 C ATOM 546 CD2 PHE A 36 0.021 -4.549 5.644 1.00 23.40 C ATOM 547 CE1 PHE A 36 1.239 -4.102 3.199 1.00 42.44 C ATOM 548 CE2 PHE A 36 1.038 -3.624 5.538 1.00 1.44 C ATOM 549 CZ PHE A 36 1.644 -3.400 4.315 1.00 32.41 C ATOM 0 H PHE A 36 -3.223 -8.057 4.680 1.00 21.10 H new ATOM 0 HA PHE A 36 -0.518 -8.016 3.859 1.00 71.14 H new ATOM 0 HB2 PHE A 36 -2.207 -6.151 3.760 1.00 53.25 H new ATOM 0 HB3 PHE A 36 -2.153 -6.036 5.508 1.00 53.25 H new ATOM 0 HD1 PHE A 36 -0.087 -5.580 2.424 1.00 21.33 H new ATOM 0 HD2 PHE A 36 -0.452 -4.715 6.601 1.00 23.40 H new ATOM 0 HE1 PHE A 36 1.715 -3.924 2.246 1.00 42.44 H new ATOM 0 HE2 PHE A 36 1.361 -3.074 6.410 1.00 1.44 H new ATOM 0 HZ PHE A 36 2.438 -2.672 4.234 1.00 32.41 H new ATOM 559 N ARG A 37 -1.029 -8.277 7.093 1.00 44.14 N ATOM 560 CA ARG A 37 -0.433 -8.635 8.391 1.00 11.53 C ATOM 561 C ARG A 37 0.425 -9.905 8.270 1.00 41.22 C ATOM 562 O ARG A 37 1.593 -9.920 8.666 1.00 23.44 O ATOM 563 CB ARG A 37 -1.566 -8.844 9.431 1.00 55.23 C ATOM 564 CG ARG A 37 -1.104 -9.402 10.788 1.00 0.43 C ATOM 565 CD ARG A 37 -2.228 -9.463 11.827 1.00 70.35 C ATOM 566 NE ARG A 37 -1.715 -9.932 13.128 1.00 63.24 N ATOM 567 CZ ARG A 37 -1.960 -9.354 14.315 1.00 21.22 C ATOM 568 NH1 ARG A 37 -2.721 -8.271 14.399 1.00 20.42 N ATOM 569 NH2 ARG A 37 -1.437 -9.870 15.412 1.00 33.31 N ATOM 0 H ARG A 37 -2.048 -8.245 7.113 1.00 44.14 H new ATOM 0 HA ARG A 37 0.218 -7.825 8.719 1.00 11.53 H new ATOM 0 HB2 ARG A 37 -2.067 -7.890 9.598 1.00 55.23 H new ATOM 0 HB3 ARG A 37 -2.307 -9.523 9.008 1.00 55.23 H new ATOM 0 HG2 ARG A 37 -0.697 -10.403 10.643 1.00 0.43 H new ATOM 0 HG3 ARG A 37 -0.295 -8.781 11.173 1.00 0.43 H new ATOM 0 HD2 ARG A 37 -2.676 -8.476 11.942 1.00 70.35 H new ATOM 0 HD3 ARG A 37 -3.015 -10.132 11.479 1.00 70.35 H new ATOM 0 HE ARG A 37 -1.125 -10.764 13.126 1.00 63.24 H new ATOM 0 HH11 ARG A 37 -3.128 -7.867 13.556 1.00 20.42 H new ATOM 0 HH12 ARG A 37 -2.899 -7.842 15.307 1.00 20.42 H new ATOM 0 HH21 ARG A 37 -0.851 -10.703 15.355 1.00 33.31 H new ATOM 0 HH22 ARG A 37 -1.619 -9.436 16.317 1.00 33.31 H new ATOM 583 N ALA A 38 -0.166 -10.948 7.670 1.00 3.05 N ATOM 584 CA ALA A 38 0.467 -12.268 7.534 1.00 14.04 C ATOM 585 C ALA A 38 1.547 -12.272 6.436 1.00 53.41 C ATOM 586 O ALA A 38 2.437 -13.127 6.447 1.00 1.35 O ATOM 587 CB ALA A 38 -0.606 -13.329 7.271 1.00 4.10 C ATOM 0 H ALA A 38 -1.100 -10.900 7.264 1.00 3.05 H new ATOM 0 HA ALA A 38 0.974 -12.507 8.469 1.00 14.04 H new ATOM 0 HB1 ALA A 38 -0.134 -14.306 7.171 1.00 4.10 H new ATOM 0 HB2 ALA A 38 -1.309 -13.349 8.103 1.00 4.10 H new ATOM 0 HB3 ALA A 38 -1.139 -13.087 6.352 1.00 4.10 H new ATOM 593 N LEU A 39 1.455 -11.317 5.488 1.00 73.42 N ATOM 594 CA LEU A 39 2.502 -11.086 4.469 1.00 32.44 C ATOM 595 C LEU A 39 3.739 -10.429 5.126 1.00 70.43 C ATOM 596 O LEU A 39 4.878 -10.816 4.853 1.00 32.22 O ATOM 597 CB LEU A 39 1.966 -10.177 3.315 1.00 53.40 C ATOM 598 CG LEU A 39 0.795 -10.749 2.448 1.00 55.13 C ATOM 599 CD1 LEU A 39 0.300 -9.712 1.409 1.00 25.54 C ATOM 600 CD2 LEU A 39 1.187 -12.074 1.770 1.00 12.35 C ATOM 0 H LEU A 39 0.657 -10.687 5.406 1.00 73.42 H new ATOM 0 HA LEU A 39 2.786 -12.048 4.044 1.00 32.44 H new ATOM 0 HB2 LEU A 39 1.636 -9.234 3.751 1.00 53.40 H new ATOM 0 HB3 LEU A 39 2.799 -9.946 2.650 1.00 53.40 H new ATOM 0 HG LEU A 39 -0.034 -10.960 3.124 1.00 55.13 H new ATOM 0 HD11 LEU A 39 -0.513 -10.142 0.824 1.00 25.54 H new ATOM 0 HD12 LEU A 39 -0.057 -8.821 1.926 1.00 25.54 H new ATOM 0 HD13 LEU A 39 1.121 -9.442 0.745 1.00 25.54 H new ATOM 0 HD21 LEU A 39 0.349 -12.441 1.177 1.00 12.35 H new ATOM 0 HD22 LEU A 39 2.047 -11.910 1.121 1.00 12.35 H new ATOM 0 HD23 LEU A 39 1.443 -12.811 2.532 1.00 12.35 H new ATOM 612 N SER A 40 3.470 -9.453 6.017 1.00 43.15 N ATOM 613 CA SER A 40 4.499 -8.642 6.696 1.00 54.21 C ATOM 614 C SER A 40 5.308 -9.498 7.691 1.00 21.00 C ATOM 615 O SER A 40 6.544 -9.580 7.599 1.00 23.42 O ATOM 616 CB SER A 40 3.821 -7.449 7.424 1.00 44.50 C ATOM 617 OG SER A 40 4.765 -6.642 8.107 1.00 0.40 O ATOM 0 H SER A 40 2.519 -9.203 6.288 1.00 43.15 H new ATOM 0 HA SER A 40 5.194 -8.258 5.950 1.00 54.21 H new ATOM 0 HB2 SER A 40 3.281 -6.841 6.699 1.00 44.50 H new ATOM 0 HB3 SER A 40 3.085 -7.827 8.134 1.00 44.50 H new ATOM 0 HG SER A 40 4.952 -5.838 7.578 1.00 0.40 H new ATOM 623 N THR A 41 4.587 -10.143 8.627 1.00 51.54 N ATOM 624 CA THR A 41 5.178 -11.015 9.654 1.00 23.43 C ATOM 625 C THR A 41 5.644 -12.349 9.038 1.00 53.40 C ATOM 626 O THR A 41 6.604 -12.966 9.524 1.00 15.20 O ATOM 627 CB THR A 41 4.157 -11.287 10.802 1.00 74.41 C ATOM 628 OG1 THR A 41 2.970 -11.881 10.259 1.00 64.11 O ATOM 629 CG2 THR A 41 3.778 -9.999 11.560 1.00 21.32 C ATOM 0 H THR A 41 3.571 -10.072 8.691 1.00 51.54 H new ATOM 0 HA THR A 41 6.045 -10.501 10.070 1.00 23.43 H new ATOM 0 HB THR A 41 4.634 -11.964 11.510 1.00 74.41 H new ATOM 0 HG1 THR A 41 2.436 -11.193 9.809 1.00 64.11 H new ATOM 0 HG21 THR A 41 3.065 -10.238 12.349 1.00 21.32 H new ATOM 0 HG22 THR A 41 4.673 -9.559 12.000 1.00 21.32 H new ATOM 0 HG23 THR A 41 3.327 -9.288 10.867 1.00 21.32 H new ATOM 637 N GLY A 42 4.950 -12.791 7.965 1.00 4.25 N ATOM 638 CA GLY A 42 5.329 -13.994 7.230 1.00 63.52 C ATOM 639 C GLY A 42 4.730 -15.262 7.816 1.00 22.43 C ATOM 640 O GLY A 42 5.350 -16.331 7.738 1.00 34.11 O ATOM 0 H GLY A 42 4.123 -12.322 7.596 1.00 4.25 H new ATOM 0 HA2 GLY A 42 5.011 -13.894 6.192 1.00 63.52 H new ATOM 0 HA3 GLY A 42 6.415 -14.082 7.223 1.00 63.52 H new ATOM 644 N GLU A 43 3.506 -15.136 8.388 1.00 14.42 N ATOM 645 CA GLU A 43 2.745 -16.274 8.951 1.00 11.01 C ATOM 646 C GLU A 43 2.568 -17.386 7.909 1.00 64.22 C ATOM 647 O GLU A 43 2.727 -18.571 8.206 1.00 14.31 O ATOM 648 CB GLU A 43 1.333 -15.831 9.427 1.00 43.14 C ATOM 649 CG GLU A 43 1.314 -14.713 10.477 1.00 11.24 C ATOM 650 CD GLU A 43 2.085 -15.054 11.760 1.00 12.11 C ATOM 651 OE1 GLU A 43 1.672 -15.983 12.485 1.00 65.41 O ATOM 652 OE2 GLU A 43 3.101 -14.387 12.049 1.00 63.30 O ATOM 0 H GLU A 43 3.021 -14.242 8.471 1.00 14.42 H new ATOM 0 HA GLU A 43 3.319 -16.645 9.800 1.00 11.01 H new ATOM 0 HB2 GLU A 43 0.762 -15.501 8.559 1.00 43.14 H new ATOM 0 HB3 GLU A 43 0.817 -16.700 9.836 1.00 43.14 H new ATOM 0 HG2 GLU A 43 1.738 -13.809 10.039 1.00 11.24 H new ATOM 0 HG3 GLU A 43 0.279 -14.487 10.735 1.00 11.24 H new ATOM 659 N LYS A 44 2.258 -16.964 6.677 1.00 51.44 N ATOM 660 CA LYS A 44 1.909 -17.867 5.575 1.00 72.25 C ATOM 661 C LYS A 44 3.145 -18.227 4.718 1.00 63.33 C ATOM 662 O LYS A 44 3.003 -18.702 3.588 1.00 22.13 O ATOM 663 CB LYS A 44 0.785 -17.202 4.736 1.00 74.23 C ATOM 664 CG LYS A 44 -0.443 -16.721 5.559 1.00 41.32 C ATOM 665 CD LYS A 44 -1.149 -17.839 6.355 1.00 13.33 C ATOM 666 CE LYS A 44 -1.774 -18.916 5.453 1.00 12.20 C ATOM 667 NZ LYS A 44 -2.303 -20.054 6.251 1.00 30.21 N ATOM 0 H LYS A 44 2.242 -15.978 6.416 1.00 51.44 H new ATOM 0 HA LYS A 44 1.544 -18.813 5.975 1.00 72.25 H new ATOM 0 HB2 LYS A 44 1.205 -16.349 4.203 1.00 74.23 H new ATOM 0 HB3 LYS A 44 0.444 -17.912 3.982 1.00 74.23 H new ATOM 0 HG2 LYS A 44 -0.120 -15.945 6.253 1.00 41.32 H new ATOM 0 HG3 LYS A 44 -1.163 -16.263 4.881 1.00 41.32 H new ATOM 0 HD2 LYS A 44 -0.430 -18.308 7.027 1.00 13.33 H new ATOM 0 HD3 LYS A 44 -1.927 -17.398 6.978 1.00 13.33 H new ATOM 0 HE2 LYS A 44 -2.580 -18.477 4.865 1.00 12.20 H new ATOM 0 HE3 LYS A 44 -1.027 -19.281 4.748 1.00 12.20 H new ATOM 0 HZ1 LYS A 44 -2.718 -20.763 5.613 1.00 30.21 H new ATOM 0 HZ2 LYS A 44 -1.529 -20.487 6.793 1.00 30.21 H new ATOM 0 HZ3 LYS A 44 -3.033 -19.709 6.906 1.00 30.21 H new ATOM 681 N GLY A 45 4.354 -18.008 5.287 1.00 63.41 N ATOM 682 CA GLY A 45 5.609 -18.461 4.675 1.00 25.11 C ATOM 683 C GLY A 45 6.030 -17.656 3.453 1.00 12.04 C ATOM 684 O GLY A 45 6.576 -18.221 2.494 1.00 32.43 O ATOM 0 H GLY A 45 4.478 -17.518 6.173 1.00 63.41 H new ATOM 0 HA2 GLY A 45 6.403 -18.412 5.420 1.00 25.11 H new ATOM 0 HA3 GLY A 45 5.504 -19.508 4.389 1.00 25.11 H new ATOM 688 N PHE A 46 5.776 -16.332 3.477 1.00 0.01 N ATOM 689 CA PHE A 46 6.079 -15.435 2.336 1.00 61.31 C ATOM 690 C PHE A 46 7.071 -14.326 2.758 1.00 14.54 C ATOM 691 O PHE A 46 8.059 -14.070 2.053 1.00 61.02 O ATOM 692 CB PHE A 46 4.764 -14.818 1.779 1.00 53.54 C ATOM 693 CG PHE A 46 3.708 -15.840 1.336 1.00 53.30 C ATOM 694 CD1 PHE A 46 4.071 -16.972 0.601 1.00 62.12 C ATOM 695 CD2 PHE A 46 2.360 -15.672 1.652 1.00 42.04 C ATOM 696 CE1 PHE A 46 3.124 -17.901 0.207 1.00 1.13 C ATOM 697 CE2 PHE A 46 1.416 -16.604 1.253 1.00 43.04 C ATOM 698 CZ PHE A 46 1.798 -17.716 0.536 1.00 60.32 C ATOM 0 H PHE A 46 5.360 -15.855 4.277 1.00 0.01 H new ATOM 0 HA PHE A 46 6.550 -16.021 1.547 1.00 61.31 H new ATOM 0 HB2 PHE A 46 4.328 -14.176 2.544 1.00 53.54 H new ATOM 0 HB3 PHE A 46 5.010 -14.180 0.930 1.00 53.54 H new ATOM 0 HD1 PHE A 46 5.107 -17.124 0.336 1.00 62.12 H new ATOM 0 HD2 PHE A 46 2.048 -14.805 2.215 1.00 42.04 H new ATOM 0 HE1 PHE A 46 3.424 -18.771 -0.358 1.00 1.13 H new ATOM 0 HE2 PHE A 46 0.376 -16.458 1.505 1.00 43.04 H new ATOM 0 HZ PHE A 46 1.059 -18.443 0.232 1.00 60.32 H new ATOM 708 N GLY A 47 6.779 -13.681 3.914 1.00 64.24 N ATOM 709 CA GLY A 47 7.697 -12.740 4.582 1.00 22.04 C ATOM 710 C GLY A 47 8.218 -11.611 3.695 1.00 1.41 C ATOM 711 O GLY A 47 9.428 -11.520 3.471 1.00 24.02 O ATOM 0 H GLY A 47 5.895 -13.803 4.407 1.00 64.24 H new ATOM 0 HA2 GLY A 47 7.185 -12.302 5.439 1.00 22.04 H new ATOM 0 HA3 GLY A 47 8.548 -13.299 4.971 1.00 22.04 H new ATOM 715 N TYR A 48 7.299 -10.761 3.195 1.00 54.44 N ATOM 716 CA TYR A 48 7.622 -9.657 2.264 1.00 54.33 C ATOM 717 C TYR A 48 8.523 -8.598 2.928 1.00 65.33 C ATOM 718 O TYR A 48 8.055 -7.658 3.583 1.00 35.32 O ATOM 719 CB TYR A 48 6.316 -9.041 1.702 1.00 52.05 C ATOM 720 CG TYR A 48 5.642 -9.942 0.664 1.00 50.32 C ATOM 721 CD1 TYR A 48 4.805 -10.979 1.056 1.00 51.41 C ATOM 722 CD2 TYR A 48 5.896 -9.796 -0.705 1.00 24.33 C ATOM 723 CE1 TYR A 48 4.237 -11.823 0.134 1.00 51.31 C ATOM 724 CE2 TYR A 48 5.327 -10.653 -1.625 1.00 2.14 C ATOM 725 CZ TYR A 48 4.501 -11.663 -1.197 1.00 3.31 C ATOM 726 OH TYR A 48 3.943 -12.531 -2.104 1.00 33.52 O ATOM 0 H TYR A 48 6.307 -10.820 3.426 1.00 54.44 H new ATOM 0 HA TYR A 48 8.193 -10.063 1.429 1.00 54.33 H new ATOM 0 HB2 TYR A 48 5.623 -8.856 2.523 1.00 52.05 H new ATOM 0 HB3 TYR A 48 6.539 -8.075 1.249 1.00 52.05 H new ATOM 0 HD1 TYR A 48 4.597 -11.124 2.106 1.00 51.41 H new ATOM 0 HD2 TYR A 48 6.545 -9.003 -1.045 1.00 24.33 H new ATOM 0 HE1 TYR A 48 3.580 -12.615 0.462 1.00 51.31 H new ATOM 0 HE2 TYR A 48 5.531 -10.530 -2.678 1.00 2.14 H new ATOM 0 HH TYR A 48 3.262 -13.077 -1.658 1.00 33.52 H new ATOM 736 N LYS A 49 9.831 -8.819 2.763 1.00 1.24 N ATOM 737 CA LYS A 49 10.899 -7.964 3.268 1.00 62.41 C ATOM 738 C LYS A 49 11.569 -7.257 2.079 1.00 42.33 C ATOM 739 O LYS A 49 11.907 -7.915 1.085 1.00 13.53 O ATOM 740 CB LYS A 49 11.911 -8.852 4.040 1.00 30.12 C ATOM 741 CG LYS A 49 13.109 -8.103 4.646 1.00 33.33 C ATOM 742 CD LYS A 49 12.692 -7.065 5.710 1.00 5.14 C ATOM 743 CE LYS A 49 13.903 -6.343 6.305 1.00 71.23 C ATOM 744 NZ LYS A 49 14.704 -5.648 5.257 1.00 64.31 N ATOM 0 H LYS A 49 10.183 -9.630 2.254 1.00 1.24 H new ATOM 0 HA LYS A 49 10.512 -7.203 3.946 1.00 62.41 H new ATOM 0 HB2 LYS A 49 11.381 -9.366 4.842 1.00 30.12 H new ATOM 0 HB3 LYS A 49 12.287 -9.619 3.363 1.00 30.12 H new ATOM 0 HG2 LYS A 49 13.792 -8.824 5.096 1.00 33.33 H new ATOM 0 HG3 LYS A 49 13.657 -7.600 3.850 1.00 33.33 H new ATOM 0 HD2 LYS A 49 12.018 -6.335 5.261 1.00 5.14 H new ATOM 0 HD3 LYS A 49 12.138 -7.563 6.506 1.00 5.14 H new ATOM 0 HE2 LYS A 49 13.566 -5.618 7.045 1.00 71.23 H new ATOM 0 HE3 LYS A 49 14.534 -7.062 6.828 1.00 71.23 H new ATOM 0 HZ1 LYS A 49 15.147 -4.800 5.664 1.00 64.31 H new ATOM 0 HZ2 LYS A 49 15.443 -6.289 4.903 1.00 64.31 H new ATOM 0 HZ3 LYS A 49 14.081 -5.370 4.472 1.00 64.31 H new ATOM 758 N GLY A 50 11.741 -5.923 2.175 1.00 73.43 N ATOM 759 CA GLY A 50 12.375 -5.144 1.103 1.00 33.52 C ATOM 760 C GLY A 50 11.424 -4.810 -0.041 1.00 50.53 C ATOM 761 O GLY A 50 11.882 -4.540 -1.159 1.00 63.53 O ATOM 0 H GLY A 50 11.450 -5.369 2.981 1.00 73.43 H new ATOM 0 HA2 GLY A 50 12.770 -4.218 1.521 1.00 33.52 H new ATOM 0 HA3 GLY A 50 13.224 -5.703 0.710 1.00 33.52 H new ATOM 765 N SER A 51 10.100 -4.851 0.242 1.00 73.30 N ATOM 766 CA SER A 51 9.041 -4.578 -0.747 1.00 34.23 C ATOM 767 C SER A 51 9.229 -3.185 -1.384 1.00 51.02 C ATOM 768 O SER A 51 9.150 -2.157 -0.697 1.00 61.44 O ATOM 769 CB SER A 51 7.657 -4.693 -0.080 1.00 54.22 C ATOM 770 OG SER A 51 7.509 -5.960 0.545 1.00 11.15 O ATOM 0 H SER A 51 9.739 -5.076 1.169 1.00 73.30 H new ATOM 0 HA SER A 51 9.108 -5.319 -1.543 1.00 34.23 H new ATOM 0 HB2 SER A 51 7.536 -3.900 0.658 1.00 54.22 H new ATOM 0 HB3 SER A 51 6.875 -4.556 -0.826 1.00 54.22 H new ATOM 0 HG SER A 51 6.796 -5.912 1.216 1.00 11.15 H new ATOM 776 N CYS A 52 9.502 -3.182 -2.697 1.00 73.12 N ATOM 777 CA CYS A 52 9.945 -1.995 -3.439 1.00 54.33 C ATOM 778 C CYS A 52 8.774 -1.282 -4.158 1.00 70.24 C ATOM 779 O CYS A 52 7.965 -1.916 -4.850 1.00 44.41 O ATOM 780 CB CYS A 52 11.050 -2.425 -4.431 1.00 1.52 C ATOM 781 SG CYS A 52 10.640 -3.881 -5.421 1.00 73.22 S ATOM 0 H CYS A 52 9.420 -4.015 -3.280 1.00 73.12 H new ATOM 0 HA CYS A 52 10.346 -1.264 -2.737 1.00 54.33 H new ATOM 0 HB2 CYS A 52 11.263 -1.593 -5.102 1.00 1.52 H new ATOM 0 HB3 CYS A 52 11.964 -2.626 -3.873 1.00 1.52 H new ATOM 0 HG CYS A 52 11.629 -4.155 -6.219 1.00 73.22 H new ATOM 787 N PHE A 53 8.700 0.040 -3.946 1.00 45.30 N ATOM 788 CA PHE A 53 7.746 0.947 -4.593 1.00 50.02 C ATOM 789 C PHE A 53 8.240 1.290 -6.008 1.00 23.23 C ATOM 790 O PHE A 53 9.246 1.993 -6.151 1.00 3.34 O ATOM 791 CB PHE A 53 7.603 2.248 -3.743 1.00 31.00 C ATOM 792 CG PHE A 53 7.056 2.062 -2.319 1.00 34.43 C ATOM 793 CD1 PHE A 53 7.803 1.400 -1.337 1.00 3.23 C ATOM 794 CD2 PHE A 53 5.799 2.560 -1.960 1.00 44.14 C ATOM 795 CE1 PHE A 53 7.311 1.239 -0.054 1.00 51.03 C ATOM 796 CE2 PHE A 53 5.309 2.397 -0.676 1.00 43.24 C ATOM 797 CZ PHE A 53 6.064 1.736 0.275 1.00 53.53 C ATOM 0 H PHE A 53 9.324 0.521 -3.298 1.00 45.30 H new ATOM 0 HA PHE A 53 6.772 0.462 -4.665 1.00 50.02 H new ATOM 0 HB2 PHE A 53 8.581 2.725 -3.676 1.00 31.00 H new ATOM 0 HB3 PHE A 53 6.948 2.937 -4.276 1.00 31.00 H new ATOM 0 HD1 PHE A 53 8.779 1.009 -1.585 1.00 3.23 H new ATOM 0 HD2 PHE A 53 5.202 3.079 -2.695 1.00 44.14 H new ATOM 0 HE1 PHE A 53 7.901 0.725 0.690 1.00 51.03 H new ATOM 0 HE2 PHE A 53 4.336 2.787 -0.417 1.00 43.24 H new ATOM 0 HZ PHE A 53 5.679 1.608 1.276 1.00 53.53 H new ATOM 807 N HIS A 54 7.558 0.761 -7.044 1.00 2.41 N ATOM 808 CA HIS A 54 7.914 1.029 -8.463 1.00 11.53 C ATOM 809 C HIS A 54 6.991 2.090 -9.070 1.00 62.12 C ATOM 810 O HIS A 54 7.410 2.846 -9.956 1.00 3.03 O ATOM 811 CB HIS A 54 7.869 -0.267 -9.318 1.00 54.40 C ATOM 812 CG HIS A 54 6.514 -0.910 -9.461 1.00 62.15 C ATOM 813 ND1 HIS A 54 6.010 -1.791 -8.537 1.00 42.03 N ATOM 814 CD2 HIS A 54 5.561 -0.809 -10.425 1.00 53.44 C ATOM 815 CE1 HIS A 54 4.840 -2.224 -8.938 1.00 1.23 C ATOM 816 NE2 HIS A 54 4.538 -1.639 -10.069 1.00 12.10 N ATOM 0 H HIS A 54 6.754 0.143 -6.930 1.00 2.41 H new ATOM 0 HA HIS A 54 8.936 1.407 -8.472 1.00 11.53 H new ATOM 0 HB2 HIS A 54 8.248 -0.037 -10.314 1.00 54.40 H new ATOM 0 HB3 HIS A 54 8.551 -0.994 -8.878 1.00 54.40 H new ATOM 0 HD2 HIS A 54 5.605 -0.188 -11.308 1.00 53.44 H new ATOM 0 HE1 HIS A 54 4.226 -2.945 -8.420 1.00 1.23 H new ATOM 0 HE2 HIS A 54 3.678 -1.780 -10.598 1.00 12.10 H new ATOM 825 N ARG A 55 5.738 2.140 -8.585 1.00 62.14 N ATOM 826 CA ARG A 55 4.693 2.997 -9.155 1.00 64.32 C ATOM 827 C ARG A 55 4.340 4.091 -8.147 1.00 12.45 C ATOM 828 O ARG A 55 3.628 3.836 -7.189 1.00 54.33 O ATOM 829 CB ARG A 55 3.437 2.147 -9.500 1.00 31.14 C ATOM 830 CG ARG A 55 2.361 2.900 -10.312 1.00 20.02 C ATOM 831 CD ARG A 55 1.054 2.104 -10.446 1.00 0.22 C ATOM 832 NE ARG A 55 0.169 2.654 -11.486 1.00 63.24 N ATOM 833 CZ ARG A 55 -1.084 3.083 -11.304 1.00 62.52 C ATOM 834 NH1 ARG A 55 -1.657 3.050 -10.100 1.00 15.42 N ATOM 835 NH2 ARG A 55 -1.770 3.526 -12.346 1.00 61.34 N ATOM 0 H ARG A 55 5.425 1.586 -7.787 1.00 62.14 H new ATOM 0 HA ARG A 55 5.055 3.459 -10.073 1.00 64.32 H new ATOM 0 HB2 ARG A 55 3.751 1.268 -10.063 1.00 31.14 H new ATOM 0 HB3 ARG A 55 2.990 1.788 -8.573 1.00 31.14 H new ATOM 0 HG2 ARG A 55 2.152 3.856 -9.832 1.00 20.02 H new ATOM 0 HG3 ARG A 55 2.750 3.121 -11.306 1.00 20.02 H new ATOM 0 HD2 ARG A 55 1.286 1.065 -10.682 1.00 0.22 H new ATOM 0 HD3 ARG A 55 0.531 2.105 -9.490 1.00 0.22 H new ATOM 0 HE ARG A 55 0.546 2.713 -12.432 1.00 63.24 H new ATOM 0 HH11 ARG A 55 -1.138 2.693 -9.298 1.00 15.42 H new ATOM 0 HH12 ARG A 55 -2.614 3.382 -9.981 1.00 15.42 H new ATOM 0 HH21 ARG A 55 -1.341 3.537 -13.272 1.00 61.34 H new ATOM 0 HH22 ARG A 55 -2.727 3.857 -12.223 1.00 61.34 H new ATOM 849 N ILE A 56 4.877 5.297 -8.334 1.00 2.41 N ATOM 850 CA ILE A 56 4.547 6.452 -7.478 1.00 64.12 C ATOM 851 C ILE A 56 4.291 7.672 -8.367 1.00 72.04 C ATOM 852 O ILE A 56 5.043 7.923 -9.314 1.00 4.14 O ATOM 853 CB ILE A 56 5.677 6.780 -6.422 1.00 22.51 C ATOM 854 CG1 ILE A 56 5.926 5.577 -5.453 1.00 12.24 C ATOM 855 CG2 ILE A 56 5.331 8.056 -5.624 1.00 52.31 C ATOM 856 CD1 ILE A 56 6.959 5.831 -4.361 1.00 41.34 C ATOM 0 H ILE A 56 5.547 5.507 -9.074 1.00 2.41 H new ATOM 0 HA ILE A 56 3.654 6.196 -6.907 1.00 64.12 H new ATOM 0 HB ILE A 56 6.599 6.957 -6.976 1.00 22.51 H new ATOM 0 HG12 ILE A 56 4.981 5.308 -4.982 1.00 12.24 H new ATOM 0 HG13 ILE A 56 6.245 4.717 -6.041 1.00 12.24 H new ATOM 0 HG21 ILE A 56 6.123 8.261 -4.904 1.00 52.31 H new ATOM 0 HG22 ILE A 56 5.236 8.899 -6.309 1.00 52.31 H new ATOM 0 HG23 ILE A 56 4.389 7.910 -5.095 1.00 52.31 H new ATOM 0 HD11 ILE A 56 7.061 4.940 -3.742 1.00 41.34 H new ATOM 0 HD12 ILE A 56 7.920 6.067 -4.817 1.00 41.34 H new ATOM 0 HD13 ILE A 56 6.636 6.668 -3.742 1.00 41.34 H new ATOM 868 N ILE A 57 3.208 8.402 -8.058 1.00 31.41 N ATOM 869 CA ILE A 57 2.792 9.612 -8.771 1.00 14.32 C ATOM 870 C ILE A 57 2.511 10.719 -7.717 1.00 42.14 C ATOM 871 O ILE A 57 1.663 10.520 -6.832 1.00 32.24 O ATOM 872 CB ILE A 57 1.524 9.329 -9.669 1.00 52.50 C ATOM 873 CG1 ILE A 57 1.832 8.179 -10.689 1.00 4.12 C ATOM 874 CG2 ILE A 57 1.042 10.612 -10.388 1.00 74.41 C ATOM 875 CD1 ILE A 57 0.710 7.800 -11.628 1.00 21.41 C ATOM 0 H ILE A 57 2.586 8.159 -7.287 1.00 31.41 H new ATOM 0 HA ILE A 57 3.582 9.943 -9.445 1.00 14.32 H new ATOM 0 HB ILE A 57 0.709 9.004 -9.022 1.00 52.50 H new ATOM 0 HG12 ILE A 57 2.694 8.474 -11.287 1.00 4.12 H new ATOM 0 HG13 ILE A 57 2.123 7.291 -10.127 1.00 4.12 H new ATOM 0 HG21 ILE A 57 0.168 10.381 -10.997 1.00 74.41 H new ATOM 0 HG22 ILE A 57 0.779 11.367 -9.647 1.00 74.41 H new ATOM 0 HG23 ILE A 57 1.839 10.993 -11.027 1.00 74.41 H new ATOM 0 HD11 ILE A 57 1.041 6.995 -12.285 1.00 21.41 H new ATOM 0 HD12 ILE A 57 -0.151 7.465 -11.050 1.00 21.41 H new ATOM 0 HD13 ILE A 57 0.430 8.666 -12.228 1.00 21.41 H new ATOM 887 N PRO A 58 3.223 11.896 -7.791 1.00 33.30 N ATOM 888 CA PRO A 58 3.148 12.954 -6.752 1.00 61.40 C ATOM 889 C PRO A 58 1.796 13.692 -6.756 1.00 13.21 C ATOM 890 O PRO A 58 1.238 13.990 -7.823 1.00 0.43 O ATOM 891 CB PRO A 58 4.325 13.893 -7.115 1.00 11.51 C ATOM 892 CG PRO A 58 4.485 13.741 -8.598 1.00 12.21 C ATOM 893 CD PRO A 58 4.135 12.298 -8.899 1.00 25.30 C ATOM 0 HA PRO A 58 3.221 12.552 -5.742 1.00 61.40 H new ATOM 0 HB2 PRO A 58 4.107 14.926 -6.843 1.00 11.51 H new ATOM 0 HB3 PRO A 58 5.236 13.610 -6.587 1.00 11.51 H new ATOM 0 HG2 PRO A 58 3.827 14.424 -9.135 1.00 12.21 H new ATOM 0 HG3 PRO A 58 5.505 13.970 -8.908 1.00 12.21 H new ATOM 0 HD2 PRO A 58 3.647 12.202 -9.869 1.00 25.30 H new ATOM 0 HD3 PRO A 58 5.026 11.671 -8.927 1.00 25.30 H new ATOM 901 N GLY A 59 1.287 13.975 -5.546 1.00 13.23 N ATOM 902 CA GLY A 59 -0.022 14.594 -5.364 1.00 63.21 C ATOM 903 C GLY A 59 -1.170 13.623 -5.623 1.00 52.04 C ATOM 904 O GLY A 59 -2.279 14.045 -5.985 1.00 43.11 O ATOM 0 H GLY A 59 1.776 13.779 -4.672 1.00 13.23 H new ATOM 0 HA2 GLY A 59 -0.099 14.980 -4.348 1.00 63.21 H new ATOM 0 HA3 GLY A 59 -0.113 15.447 -6.037 1.00 63.21 H new ATOM 908 N PHE A 60 -0.902 12.321 -5.420 1.00 43.25 N ATOM 909 CA PHE A 60 -1.852 11.237 -5.716 1.00 10.34 C ATOM 910 C PHE A 60 -1.641 10.080 -4.733 1.00 54.24 C ATOM 911 O PHE A 60 -2.431 9.908 -3.789 1.00 54.31 O ATOM 912 CB PHE A 60 -1.686 10.761 -7.199 1.00 51.14 C ATOM 913 CG PHE A 60 -2.474 9.505 -7.594 1.00 14.10 C ATOM 914 CD1 PHE A 60 -3.857 9.441 -7.428 1.00 14.32 C ATOM 915 CD2 PHE A 60 -1.824 8.381 -8.123 1.00 50.22 C ATOM 916 CE1 PHE A 60 -4.561 8.297 -7.764 1.00 73.33 C ATOM 917 CE2 PHE A 60 -2.530 7.239 -8.460 1.00 42.23 C ATOM 918 CZ PHE A 60 -3.898 7.199 -8.279 1.00 72.41 C ATOM 0 H PHE A 60 -0.014 11.990 -5.043 1.00 43.25 H new ATOM 0 HA PHE A 60 -2.871 11.606 -5.596 1.00 10.34 H new ATOM 0 HB2 PHE A 60 -1.986 11.576 -7.857 1.00 51.14 H new ATOM 0 HB3 PHE A 60 -0.628 10.575 -7.384 1.00 51.14 H new ATOM 0 HD1 PHE A 60 -4.386 10.295 -7.032 1.00 14.32 H new ATOM 0 HD2 PHE A 60 -0.754 8.407 -8.270 1.00 50.22 H new ATOM 0 HE1 PHE A 60 -5.631 8.263 -7.623 1.00 73.33 H new ATOM 0 HE2 PHE A 60 -2.012 6.382 -8.863 1.00 42.23 H new ATOM 0 HZ PHE A 60 -4.451 6.309 -8.540 1.00 72.41 H new ATOM 928 N MET A 61 -0.531 9.330 -4.920 1.00 23.24 N ATOM 929 CA MET A 61 -0.372 7.999 -4.312 1.00 2.41 C ATOM 930 C MET A 61 1.051 7.441 -4.505 1.00 44.22 C ATOM 931 O MET A 61 1.650 7.591 -5.573 1.00 14.22 O ATOM 932 CB MET A 61 -1.406 7.061 -4.969 1.00 54.54 C ATOM 933 CG MET A 61 -1.428 5.616 -4.513 1.00 14.24 C ATOM 934 SD MET A 61 -2.684 4.686 -5.416 1.00 63.34 S ATOM 935 CE MET A 61 -4.162 5.633 -5.040 1.00 4.12 C ATOM 0 H MET A 61 0.263 9.627 -5.487 1.00 23.24 H new ATOM 0 HA MET A 61 -0.534 8.072 -3.237 1.00 2.41 H new ATOM 0 HB2 MET A 61 -2.397 7.482 -4.801 1.00 54.54 H new ATOM 0 HB3 MET A 61 -1.234 7.072 -6.045 1.00 54.54 H new ATOM 0 HG2 MET A 61 -0.449 5.164 -4.671 1.00 14.24 H new ATOM 0 HG3 MET A 61 -1.632 5.569 -3.443 1.00 14.24 H new ATOM 0 HE1 MET A 61 -4.777 5.719 -5.936 1.00 4.12 H new ATOM 0 HE2 MET A 61 -4.729 5.128 -4.258 1.00 4.12 H new ATOM 0 HE3 MET A 61 -3.879 6.628 -4.697 1.00 4.12 H new ATOM 945 N CYS A 62 1.566 6.785 -3.452 1.00 50.10 N ATOM 946 CA CYS A 62 2.800 5.991 -3.502 1.00 63.51 C ATOM 947 C CYS A 62 2.437 4.489 -3.393 1.00 70.23 C ATOM 948 O CYS A 62 1.945 4.035 -2.356 1.00 24.13 O ATOM 949 CB CYS A 62 3.728 6.437 -2.351 1.00 0.32 C ATOM 950 SG CYS A 62 2.950 6.389 -0.727 1.00 23.10 S ATOM 0 H CYS A 62 1.129 6.793 -2.530 1.00 50.10 H new ATOM 0 HA CYS A 62 3.325 6.146 -4.444 1.00 63.51 H new ATOM 0 HB2 CYS A 62 4.610 5.797 -2.340 1.00 0.32 H new ATOM 0 HB3 CYS A 62 4.073 7.452 -2.548 1.00 0.32 H new ATOM 0 HG CYS A 62 2.214 7.449 -0.567 1.00 23.10 H new ATOM 956 N GLN A 63 2.678 3.732 -4.477 1.00 41.32 N ATOM 957 CA GLN A 63 2.217 2.333 -4.617 1.00 75.44 C ATOM 958 C GLN A 63 3.428 1.369 -4.651 1.00 43.23 C ATOM 959 O GLN A 63 4.289 1.454 -5.547 1.00 33.53 O ATOM 960 CB GLN A 63 1.339 2.220 -5.899 1.00 65.12 C ATOM 961 CG GLN A 63 0.697 0.841 -6.145 1.00 45.10 C ATOM 962 CD GLN A 63 -0.341 0.854 -7.275 1.00 3.12 C ATOM 963 OE1 GLN A 63 -0.998 1.863 -7.532 1.00 71.13 O ATOM 964 NE2 GLN A 63 -0.514 -0.263 -7.946 1.00 15.15 N ATOM 0 H GLN A 63 3.199 4.071 -5.285 1.00 41.32 H new ATOM 0 HA GLN A 63 1.610 2.046 -3.758 1.00 75.44 H new ATOM 0 HB2 GLN A 63 0.546 2.965 -5.842 1.00 65.12 H new ATOM 0 HB3 GLN A 63 1.954 2.474 -6.763 1.00 65.12 H new ATOM 0 HG2 GLN A 63 1.479 0.121 -6.386 1.00 45.10 H new ATOM 0 HG3 GLN A 63 0.221 0.499 -5.226 1.00 45.10 H new ATOM 0 HE21 GLN A 63 0.041 -1.087 -7.716 1.00 15.15 H new ATOM 0 HE22 GLN A 63 -1.204 -0.306 -8.696 1.00 15.15 H new ATOM 973 N GLY A 64 3.482 0.458 -3.652 1.00 71.20 N ATOM 974 CA GLY A 64 4.618 -0.447 -3.445 1.00 33.20 C ATOM 975 C GLY A 64 4.270 -1.906 -3.624 1.00 22.24 C ATOM 976 O GLY A 64 3.100 -2.282 -3.601 1.00 43.12 O ATOM 0 H GLY A 64 2.734 0.336 -2.970 1.00 71.20 H new ATOM 0 HA2 GLY A 64 5.413 -0.184 -4.142 1.00 33.20 H new ATOM 0 HA3 GLY A 64 5.013 -0.297 -2.440 1.00 33.20 H new ATOM 980 N GLY A 65 5.320 -2.732 -3.757 1.00 10.11 N ATOM 981 CA GLY A 65 5.179 -4.154 -4.066 1.00 53.11 C ATOM 982 C GLY A 65 5.470 -4.400 -5.537 1.00 4.11 C ATOM 983 O GLY A 65 4.595 -4.218 -6.380 1.00 61.45 O ATOM 0 H GLY A 65 6.288 -2.428 -3.652 1.00 10.11 H new ATOM 0 HA2 GLY A 65 5.863 -4.738 -3.449 1.00 53.11 H new ATOM 0 HA3 GLY A 65 4.169 -4.488 -3.826 1.00 53.11 H new ATOM 987 N ASP A 66 6.730 -4.742 -5.861 1.00 13.11 N ATOM 988 CA ASP A 66 7.158 -5.003 -7.249 1.00 23.24 C ATOM 989 C ASP A 66 7.749 -6.412 -7.375 1.00 50.03 C ATOM 990 O ASP A 66 7.069 -7.324 -7.855 1.00 32.40 O ATOM 991 CB ASP A 66 8.206 -3.955 -7.706 1.00 51.13 C ATOM 992 CG ASP A 66 8.638 -4.132 -9.177 1.00 3.25 C ATOM 993 OD1 ASP A 66 7.779 -3.985 -10.071 1.00 34.20 O ATOM 994 OD2 ASP A 66 9.821 -4.449 -9.436 1.00 41.51 O ATOM 0 H ASP A 66 7.477 -4.845 -5.174 1.00 13.11 H new ATOM 0 HA ASP A 66 6.280 -4.927 -7.891 1.00 23.24 H new ATOM 0 HB2 ASP A 66 7.793 -2.955 -7.573 1.00 51.13 H new ATOM 0 HB3 ASP A 66 9.085 -4.025 -7.065 1.00 51.13 H new ATOM 999 N PHE A 67 8.982 -6.561 -6.828 1.00 71.04 N ATOM 1000 CA PHE A 67 9.933 -7.661 -7.120 1.00 34.44 C ATOM 1001 C PHE A 67 9.271 -9.048 -7.242 1.00 4.54 C ATOM 1002 O PHE A 67 9.495 -9.764 -8.230 1.00 71.13 O ATOM 1003 CB PHE A 67 11.042 -7.679 -6.028 1.00 44.42 C ATOM 1004 CG PHE A 67 12.150 -8.714 -6.257 1.00 34.14 C ATOM 1005 CD1 PHE A 67 13.221 -8.435 -7.107 1.00 35.30 C ATOM 1006 CD2 PHE A 67 12.120 -9.962 -5.623 1.00 24.14 C ATOM 1007 CE1 PHE A 67 14.225 -9.367 -7.316 1.00 53.11 C ATOM 1008 CE2 PHE A 67 13.123 -10.890 -5.836 1.00 61.30 C ATOM 1009 CZ PHE A 67 14.173 -10.592 -6.681 1.00 74.43 C ATOM 0 H PHE A 67 9.353 -5.896 -6.149 1.00 71.04 H new ATOM 0 HA PHE A 67 10.362 -7.458 -8.101 1.00 34.44 H new ATOM 0 HB2 PHE A 67 11.494 -6.689 -5.973 1.00 44.42 H new ATOM 0 HB3 PHE A 67 10.578 -7.872 -5.061 1.00 44.42 H new ATOM 0 HD1 PHE A 67 13.268 -7.480 -7.609 1.00 35.30 H new ATOM 0 HD2 PHE A 67 11.303 -10.203 -4.959 1.00 24.14 H new ATOM 0 HE1 PHE A 67 15.048 -9.135 -7.976 1.00 53.11 H new ATOM 0 HE2 PHE A 67 13.085 -11.849 -5.341 1.00 61.30 H new ATOM 0 HZ PHE A 67 14.955 -11.318 -6.846 1.00 74.43 H new ATOM 1019 N THR A 68 8.441 -9.397 -6.244 1.00 74.14 N ATOM 1020 CA THR A 68 7.798 -10.711 -6.173 1.00 11.35 C ATOM 1021 C THR A 68 6.703 -10.838 -7.255 1.00 14.25 C ATOM 1022 O THR A 68 5.614 -10.252 -7.127 1.00 0.42 O ATOM 1023 CB THR A 68 7.187 -10.937 -4.755 1.00 64.21 C ATOM 1024 OG1 THR A 68 8.162 -10.602 -3.752 1.00 63.34 O ATOM 1025 CG2 THR A 68 6.714 -12.392 -4.553 1.00 32.35 C ATOM 0 H THR A 68 8.201 -8.777 -5.470 1.00 74.14 H new ATOM 0 HA THR A 68 8.553 -11.476 -6.355 1.00 11.35 H new ATOM 0 HB THR A 68 6.314 -10.291 -4.663 1.00 64.21 H new ATOM 0 HG1 THR A 68 7.721 -10.526 -2.880 1.00 63.34 H new ATOM 0 HG21 THR A 68 6.296 -12.503 -3.552 1.00 32.35 H new ATOM 0 HG22 THR A 68 5.951 -12.633 -5.294 1.00 32.35 H new ATOM 0 HG23 THR A 68 7.560 -13.069 -4.670 1.00 32.35 H new ATOM 1033 N ARG A 69 7.031 -11.623 -8.307 1.00 62.20 N ATOM 1034 CA ARG A 69 6.173 -11.872 -9.483 1.00 43.41 C ATOM 1035 C ARG A 69 5.673 -10.542 -10.111 1.00 43.10 C ATOM 1036 O ARG A 69 4.480 -10.380 -10.401 1.00 64.53 O ATOM 1037 CB ARG A 69 4.992 -12.827 -9.106 1.00 33.21 C ATOM 1038 CG ARG A 69 4.238 -13.426 -10.320 1.00 24.55 C ATOM 1039 CD ARG A 69 2.962 -14.184 -9.928 1.00 31.51 C ATOM 1040 NE ARG A 69 3.233 -15.348 -9.072 1.00 44.33 N ATOM 1041 CZ ARG A 69 2.296 -16.147 -8.545 1.00 72.31 C ATOM 1042 NH1 ARG A 69 0.995 -15.923 -8.763 1.00 2.34 N ATOM 1043 NH2 ARG A 69 2.667 -17.180 -7.797 1.00 51.02 N ATOM 0 H ARG A 69 7.924 -12.113 -8.360 1.00 62.20 H new ATOM 0 HA ARG A 69 6.770 -12.372 -10.246 1.00 43.41 H new ATOM 0 HB2 ARG A 69 5.381 -13.643 -8.497 1.00 33.21 H new ATOM 0 HB3 ARG A 69 4.281 -12.279 -8.487 1.00 33.21 H new ATOM 0 HG2 ARG A 69 3.978 -12.623 -11.010 1.00 24.55 H new ATOM 0 HG3 ARG A 69 4.904 -14.103 -10.855 1.00 24.55 H new ATOM 0 HD2 ARG A 69 2.287 -13.505 -9.408 1.00 31.51 H new ATOM 0 HD3 ARG A 69 2.449 -14.514 -10.831 1.00 31.51 H new ATOM 0 HE ARG A 69 4.208 -15.563 -8.864 1.00 44.33 H new ATOM 0 HH11 ARG A 69 0.703 -15.133 -9.339 1.00 2.34 H new ATOM 0 HH12 ARG A 69 0.295 -16.542 -8.354 1.00 2.34 H new ATOM 0 HH21 ARG A 69 3.657 -17.358 -7.629 1.00 51.02 H new ATOM 0 HH22 ARG A 69 1.962 -17.795 -7.391 1.00 51.02 H new ATOM 1057 N HIS A 70 6.609 -9.582 -10.317 1.00 4.24 N ATOM 1058 CA HIS A 70 6.302 -8.254 -10.924 1.00 1.13 C ATOM 1059 C HIS A 70 5.624 -8.398 -12.305 1.00 61.34 C ATOM 1060 O HIS A 70 4.856 -7.525 -12.730 1.00 32.24 O ATOM 1061 CB HIS A 70 7.574 -7.368 -11.022 1.00 22.03 C ATOM 1062 CG HIS A 70 8.725 -7.981 -11.778 1.00 51.25 C ATOM 1063 ND1 HIS A 70 8.850 -7.910 -13.151 1.00 40.53 N ATOM 1064 CD2 HIS A 70 9.806 -8.682 -11.345 1.00 1.31 C ATOM 1065 CE1 HIS A 70 9.945 -8.538 -13.525 1.00 63.40 C ATOM 1066 NE2 HIS A 70 10.541 -9.012 -12.451 1.00 72.41 N ATOM 0 H HIS A 70 7.592 -9.701 -10.071 1.00 4.24 H new ATOM 0 HA HIS A 70 5.595 -7.756 -10.260 1.00 1.13 H new ATOM 0 HB2 HIS A 70 7.306 -6.426 -11.501 1.00 22.03 H new ATOM 0 HB3 HIS A 70 7.909 -7.128 -10.013 1.00 22.03 H new ATOM 0 HD2 HIS A 70 10.041 -8.932 -10.321 1.00 1.31 H new ATOM 0 HE1 HIS A 70 10.295 -8.646 -14.541 1.00 63.40 H new ATOM 0 HE2 HIS A 70 11.413 -9.541 -12.444 1.00 72.41 H new ATOM 1075 N ASN A 71 5.930 -9.510 -12.990 1.00 13.34 N ATOM 1076 CA ASN A 71 5.237 -9.931 -14.211 1.00 52.04 C ATOM 1077 C ASN A 71 3.920 -10.640 -13.829 1.00 1.11 C ATOM 1078 O ASN A 71 3.934 -11.777 -13.345 1.00 74.25 O ATOM 1079 CB ASN A 71 6.160 -10.860 -15.054 1.00 32.13 C ATOM 1080 CG ASN A 71 5.464 -11.498 -16.269 1.00 63.13 C ATOM 1081 OD1 ASN A 71 5.440 -10.925 -17.359 1.00 0.21 O ATOM 1082 ND2 ASN A 71 4.886 -12.681 -16.082 1.00 1.24 N ATOM 0 H ASN A 71 6.674 -10.147 -12.706 1.00 13.34 H new ATOM 0 HA ASN A 71 4.997 -9.061 -14.822 1.00 52.04 H new ATOM 0 HB2 ASN A 71 7.018 -10.285 -15.401 1.00 32.13 H new ATOM 0 HB3 ASN A 71 6.545 -11.652 -14.412 1.00 32.13 H new ATOM 0 HD21 ASN A 71 4.404 -13.141 -16.854 1.00 1.24 H new ATOM 0 HD22 ASN A 71 4.925 -13.128 -15.166 1.00 1.24 H new ATOM 1089 N GLY A 72 2.798 -9.924 -13.991 1.00 22.03 N ATOM 1090 CA GLY A 72 1.460 -10.515 -13.911 1.00 43.43 C ATOM 1091 C GLY A 72 0.767 -10.366 -12.561 1.00 5.35 C ATOM 1092 O GLY A 72 -0.421 -10.703 -12.452 1.00 1.11 O ATOM 0 H GLY A 72 2.795 -8.922 -14.181 1.00 22.03 H new ATOM 0 HA2 GLY A 72 0.832 -10.059 -14.677 1.00 43.43 H new ATOM 0 HA3 GLY A 72 1.534 -11.576 -14.149 1.00 43.43 H new ATOM 1096 N THR A 73 1.477 -9.872 -11.523 1.00 21.42 N ATOM 1097 CA THR A 73 0.883 -9.668 -10.178 1.00 33.32 C ATOM 1098 C THR A 73 1.565 -8.478 -9.459 1.00 31.22 C ATOM 1099 O THR A 73 0.989 -7.382 -9.368 1.00 1.51 O ATOM 1100 CB THR A 73 0.977 -10.976 -9.304 1.00 64.12 C ATOM 1101 OG1 THR A 73 0.452 -12.103 -10.026 1.00 75.41 O ATOM 1102 CG2 THR A 73 0.209 -10.844 -7.984 1.00 22.22 C ATOM 0 H THR A 73 2.460 -9.607 -11.588 1.00 21.42 H new ATOM 0 HA THR A 73 -0.173 -9.434 -10.310 1.00 33.32 H new ATOM 0 HB THR A 73 2.033 -11.127 -9.081 1.00 64.12 H new ATOM 0 HG1 THR A 73 -0.430 -11.877 -10.388 1.00 75.41 H new ATOM 0 HG21 THR A 73 0.302 -11.769 -7.415 1.00 22.22 H new ATOM 0 HG22 THR A 73 0.621 -10.018 -7.404 1.00 22.22 H new ATOM 0 HG23 THR A 73 -0.843 -10.651 -8.193 1.00 22.22 H new ATOM 1110 N GLY A 74 2.804 -8.700 -8.971 1.00 22.10 N ATOM 1111 CA GLY A 74 3.588 -7.659 -8.308 1.00 23.44 C ATOM 1112 C GLY A 74 3.209 -7.471 -6.843 1.00 13.54 C ATOM 1113 O GLY A 74 2.792 -6.389 -6.454 1.00 2.33 O ATOM 0 H GLY A 74 3.278 -9.601 -9.029 1.00 22.10 H new ATOM 0 HA2 GLY A 74 4.646 -7.911 -8.374 1.00 23.44 H new ATOM 0 HA3 GLY A 74 3.451 -6.716 -8.837 1.00 23.44 H new ATOM 1117 N GLY A 75 3.355 -8.535 -6.023 1.00 74.20 N ATOM 1118 CA GLY A 75 3.045 -8.459 -4.579 1.00 53.21 C ATOM 1119 C GLY A 75 1.814 -9.273 -4.191 1.00 64.32 C ATOM 1120 O GLY A 75 0.889 -8.752 -3.556 1.00 62.35 O ATOM 0 H GLY A 75 3.683 -9.450 -6.334 1.00 74.20 H new ATOM 0 HA2 GLY A 75 3.904 -8.815 -4.009 1.00 53.21 H new ATOM 0 HA3 GLY A 75 2.887 -7.417 -4.301 1.00 53.21 H new ATOM 1124 N LYS A 76 1.809 -10.550 -4.609 1.00 72.11 N ATOM 1125 CA LYS A 76 0.701 -11.516 -4.362 1.00 12.01 C ATOM 1126 C LYS A 76 0.361 -11.695 -2.849 1.00 24.12 C ATOM 1127 O LYS A 76 1.182 -11.401 -1.969 1.00 45.42 O ATOM 1128 CB LYS A 76 1.060 -12.881 -5.015 1.00 65.21 C ATOM 1129 CG LYS A 76 2.437 -13.426 -4.609 1.00 44.12 C ATOM 1130 CD LYS A 76 2.742 -14.822 -5.176 1.00 44.40 C ATOM 1131 CE LYS A 76 4.102 -15.350 -4.697 1.00 11.13 C ATOM 1132 NZ LYS A 76 4.203 -15.420 -3.208 1.00 12.42 N ATOM 0 H LYS A 76 2.582 -10.956 -5.137 1.00 72.11 H new ATOM 0 HA LYS A 76 -0.200 -11.106 -4.819 1.00 12.01 H new ATOM 0 HB2 LYS A 76 0.298 -13.612 -4.746 1.00 65.21 H new ATOM 0 HB3 LYS A 76 1.029 -12.773 -6.099 1.00 65.21 H new ATOM 0 HG2 LYS A 76 3.206 -12.731 -4.946 1.00 44.12 H new ATOM 0 HG3 LYS A 76 2.496 -13.465 -3.521 1.00 44.12 H new ATOM 0 HD2 LYS A 76 1.957 -15.516 -4.875 1.00 44.40 H new ATOM 0 HD3 LYS A 76 2.731 -14.782 -6.265 1.00 44.40 H new ATOM 0 HE2 LYS A 76 4.269 -16.343 -5.115 1.00 11.13 H new ATOM 0 HE3 LYS A 76 4.893 -14.705 -5.081 1.00 11.13 H new ATOM 0 HZ1 LYS A 76 5.066 -15.936 -2.942 1.00 12.42 H new ATOM 0 HZ2 LYS A 76 4.242 -14.457 -2.817 1.00 12.42 H new ATOM 0 HZ3 LYS A 76 3.372 -15.915 -2.827 1.00 12.42 H new ATOM 1146 N SER A 77 -0.847 -12.231 -2.582 1.00 42.31 N ATOM 1147 CA SER A 77 -1.476 -12.241 -1.238 1.00 50.53 C ATOM 1148 C SER A 77 -1.351 -13.608 -0.532 1.00 44.12 C ATOM 1149 O SER A 77 -0.793 -14.554 -1.079 1.00 70.25 O ATOM 1150 CB SER A 77 -2.962 -11.853 -1.398 1.00 12.14 C ATOM 1151 OG SER A 77 -3.621 -12.685 -2.344 1.00 12.24 O ATOM 0 H SER A 77 -1.422 -12.675 -3.298 1.00 42.31 H new ATOM 0 HA SER A 77 -0.953 -11.523 -0.607 1.00 50.53 H new ATOM 0 HB2 SER A 77 -3.464 -11.929 -0.434 1.00 12.14 H new ATOM 0 HB3 SER A 77 -3.035 -10.813 -1.714 1.00 12.14 H new ATOM 0 HG SER A 77 -4.361 -13.155 -1.906 1.00 12.24 H new ATOM 1157 N ILE A 78 -1.894 -13.701 0.704 1.00 33.11 N ATOM 1158 CA ILE A 78 -1.901 -14.956 1.483 1.00 4.31 C ATOM 1159 C ILE A 78 -2.854 -15.995 0.867 1.00 53.32 C ATOM 1160 O ILE A 78 -2.772 -17.183 1.180 1.00 54.24 O ATOM 1161 CB ILE A 78 -2.270 -14.743 3.000 1.00 31.24 C ATOM 1162 CG1 ILE A 78 -3.762 -14.335 3.203 1.00 71.12 C ATOM 1163 CG2 ILE A 78 -1.329 -13.709 3.652 1.00 51.50 C ATOM 1164 CD1 ILE A 78 -4.236 -14.342 4.656 1.00 44.11 C ATOM 0 H ILE A 78 -2.335 -12.916 1.183 1.00 33.11 H new ATOM 0 HA ILE A 78 -0.878 -15.329 1.441 1.00 4.31 H new ATOM 0 HB ILE A 78 -2.135 -15.705 3.495 1.00 31.24 H new ATOM 0 HG12 ILE A 78 -3.910 -13.336 2.792 1.00 71.12 H new ATOM 0 HG13 ILE A 78 -4.391 -15.013 2.627 1.00 71.12 H new ATOM 0 HG21 ILE A 78 -1.602 -13.578 4.699 1.00 51.50 H new ATOM 0 HG22 ILE A 78 -0.300 -14.062 3.587 1.00 51.50 H new ATOM 0 HG23 ILE A 78 -1.419 -12.756 3.131 1.00 51.50 H new ATOM 0 HD11 ILE A 78 -5.284 -14.046 4.698 1.00 44.11 H new ATOM 0 HD12 ILE A 78 -4.125 -15.344 5.070 1.00 44.11 H new ATOM 0 HD13 ILE A 78 -3.637 -13.641 5.238 1.00 44.11 H new ATOM 1176 N TYR A 79 -3.757 -15.518 -0.011 1.00 73.32 N ATOM 1177 CA TYR A 79 -4.706 -16.358 -0.756 1.00 63.13 C ATOM 1178 C TYR A 79 -4.136 -16.701 -2.150 1.00 33.35 C ATOM 1179 O TYR A 79 -4.892 -16.952 -3.094 1.00 74.41 O ATOM 1180 CB TYR A 79 -6.064 -15.608 -0.868 1.00 15.54 C ATOM 1181 CG TYR A 79 -6.676 -15.224 0.491 1.00 73.34 C ATOM 1182 CD1 TYR A 79 -7.334 -16.172 1.277 1.00 5.14 C ATOM 1183 CD2 TYR A 79 -6.582 -13.920 0.991 1.00 1.02 C ATOM 1184 CE1 TYR A 79 -7.871 -15.832 2.506 1.00 65.42 C ATOM 1185 CE2 TYR A 79 -7.123 -13.579 2.214 1.00 62.12 C ATOM 1186 CZ TYR A 79 -7.763 -14.537 2.967 1.00 71.13 C ATOM 1187 OH TYR A 79 -8.289 -14.201 4.195 1.00 22.42 O ATOM 0 H TYR A 79 -3.847 -14.524 -0.223 1.00 73.32 H new ATOM 0 HA TYR A 79 -4.866 -17.298 -0.227 1.00 63.13 H new ATOM 0 HB2 TYR A 79 -5.921 -14.704 -1.460 1.00 15.54 H new ATOM 0 HB3 TYR A 79 -6.771 -16.236 -1.410 1.00 15.54 H new ATOM 0 HD1 TYR A 79 -7.425 -17.187 0.920 1.00 5.14 H new ATOM 0 HD2 TYR A 79 -6.076 -13.165 0.408 1.00 1.02 H new ATOM 0 HE1 TYR A 79 -8.373 -16.579 3.103 1.00 65.42 H new ATOM 0 HE2 TYR A 79 -7.045 -12.565 2.578 1.00 62.12 H new ATOM 0 HH TYR A 79 -7.929 -13.335 4.479 1.00 22.42 H new ATOM 1197 N GLY A 80 -2.789 -16.715 -2.251 1.00 43.13 N ATOM 1198 CA GLY A 80 -2.081 -17.059 -3.480 1.00 41.43 C ATOM 1199 C GLY A 80 -1.781 -15.827 -4.312 1.00 43.52 C ATOM 1200 O GLY A 80 -1.238 -14.850 -3.789 1.00 74.43 O ATOM 0 H GLY A 80 -2.170 -16.486 -1.473 1.00 43.13 H new ATOM 0 HA2 GLY A 80 -1.150 -17.569 -3.234 1.00 41.43 H new ATOM 0 HA3 GLY A 80 -2.681 -17.756 -4.064 1.00 41.43 H new ATOM 1204 N GLU A 81 -2.150 -15.872 -5.598 1.00 23.02 N ATOM 1205 CA GLU A 81 -1.951 -14.759 -6.541 1.00 14.12 C ATOM 1206 C GLU A 81 -2.813 -13.551 -6.139 1.00 72.30 C ATOM 1207 O GLU A 81 -2.310 -12.426 -6.014 1.00 43.20 O ATOM 1208 CB GLU A 81 -2.299 -15.225 -7.982 1.00 4.42 C ATOM 1209 CG GLU A 81 -2.126 -14.158 -9.083 1.00 4.02 C ATOM 1210 CD GLU A 81 -2.472 -14.704 -10.475 1.00 63.34 C ATOM 1211 OE1 GLU A 81 -1.590 -15.294 -11.131 1.00 1.32 O ATOM 1212 OE2 GLU A 81 -3.637 -14.581 -10.906 1.00 24.41 O ATOM 0 H GLU A 81 -2.598 -16.686 -6.019 1.00 23.02 H new ATOM 0 HA GLU A 81 -0.906 -14.452 -6.512 1.00 14.12 H new ATOM 0 HB2 GLU A 81 -1.673 -16.082 -8.229 1.00 4.42 H new ATOM 0 HB3 GLU A 81 -3.333 -15.571 -7.994 1.00 4.42 H new ATOM 0 HG2 GLU A 81 -2.763 -13.302 -8.861 1.00 4.02 H new ATOM 0 HG3 GLU A 81 -1.097 -13.799 -9.080 1.00 4.02 H new ATOM 1219 N LYS A 82 -4.108 -13.820 -5.892 1.00 52.12 N ATOM 1220 CA LYS A 82 -5.117 -12.773 -5.670 1.00 21.51 C ATOM 1221 C LYS A 82 -6.432 -13.376 -5.113 1.00 54.34 C ATOM 1222 O LYS A 82 -6.712 -14.567 -5.297 1.00 22.52 O ATOM 1223 CB LYS A 82 -5.370 -12.007 -7.006 1.00 23.33 C ATOM 1224 CG LYS A 82 -5.967 -12.860 -8.149 1.00 34.10 C ATOM 1225 CD LYS A 82 -5.938 -12.134 -9.515 1.00 21.33 C ATOM 1226 CE LYS A 82 -6.809 -12.822 -10.581 1.00 63.42 C ATOM 1227 NZ LYS A 82 -6.548 -14.278 -10.713 1.00 44.34 N ATOM 0 H LYS A 82 -4.482 -14.768 -5.841 1.00 52.12 H new ATOM 0 HA LYS A 82 -4.744 -12.071 -4.925 1.00 21.51 H new ATOM 0 HB2 LYS A 82 -6.043 -11.173 -6.807 1.00 23.33 H new ATOM 0 HB3 LYS A 82 -4.426 -11.581 -7.347 1.00 23.33 H new ATOM 0 HG2 LYS A 82 -5.412 -13.795 -8.227 1.00 34.10 H new ATOM 0 HG3 LYS A 82 -6.996 -13.121 -7.903 1.00 34.10 H new ATOM 0 HD2 LYS A 82 -6.280 -11.108 -9.382 1.00 21.33 H new ATOM 0 HD3 LYS A 82 -4.909 -12.084 -9.872 1.00 21.33 H new ATOM 0 HE2 LYS A 82 -7.860 -12.671 -10.333 1.00 63.42 H new ATOM 0 HE3 LYS A 82 -6.637 -12.342 -11.544 1.00 63.42 H new ATOM 0 HZ1 LYS A 82 -7.011 -14.637 -11.572 1.00 44.34 H new ATOM 0 HZ2 LYS A 82 -5.523 -14.443 -10.777 1.00 44.34 H new ATOM 0 HZ3 LYS A 82 -6.927 -14.775 -9.882 1.00 44.34 H new ATOM 1241 N PHE A 83 -7.215 -12.533 -4.416 1.00 71.23 N ATOM 1242 CA PHE A 83 -8.547 -12.867 -3.862 1.00 62.13 C ATOM 1243 C PHE A 83 -9.580 -11.778 -4.235 1.00 62.23 C ATOM 1244 O PHE A 83 -9.241 -10.765 -4.846 1.00 62.42 O ATOM 1245 CB PHE A 83 -8.481 -13.063 -2.316 1.00 1.20 C ATOM 1246 CG PHE A 83 -8.032 -11.844 -1.494 1.00 1.22 C ATOM 1247 CD1 PHE A 83 -6.706 -11.429 -1.500 1.00 60.41 C ATOM 1248 CD2 PHE A 83 -8.928 -11.143 -0.682 1.00 55.21 C ATOM 1249 CE1 PHE A 83 -6.294 -10.355 -0.732 1.00 62.13 C ATOM 1250 CE2 PHE A 83 -8.514 -10.065 0.080 1.00 35.14 C ATOM 1251 CZ PHE A 83 -7.196 -9.674 0.056 1.00 22.11 C ATOM 0 H PHE A 83 -6.934 -11.573 -4.215 1.00 71.23 H new ATOM 0 HA PHE A 83 -8.868 -13.810 -4.303 1.00 62.13 H new ATOM 0 HB2 PHE A 83 -9.468 -13.366 -1.967 1.00 1.20 H new ATOM 0 HB3 PHE A 83 -7.801 -13.888 -2.104 1.00 1.20 H new ATOM 0 HD1 PHE A 83 -5.987 -11.952 -2.113 1.00 60.41 H new ATOM 0 HD2 PHE A 83 -9.963 -11.449 -0.649 1.00 55.21 H new ATOM 0 HE1 PHE A 83 -5.259 -10.048 -0.750 1.00 62.13 H new ATOM 0 HE2 PHE A 83 -9.225 -9.531 0.693 1.00 35.14 H new ATOM 0 HZ PHE A 83 -6.869 -8.836 0.653 1.00 22.11 H new ATOM 1261 N GLU A 84 -10.851 -12.025 -3.891 1.00 51.34 N ATOM 1262 CA GLU A 84 -11.961 -11.067 -4.116 1.00 22.12 C ATOM 1263 C GLU A 84 -12.053 -10.035 -2.968 1.00 51.34 C ATOM 1264 O GLU A 84 -11.579 -10.290 -1.858 1.00 73.13 O ATOM 1265 CB GLU A 84 -13.289 -11.853 -4.305 1.00 43.50 C ATOM 1266 CG GLU A 84 -13.613 -12.860 -3.186 1.00 33.03 C ATOM 1267 CD GLU A 84 -14.842 -13.727 -3.496 1.00 40.41 C ATOM 1268 OE1 GLU A 84 -14.680 -14.802 -4.113 1.00 23.32 O ATOM 1269 OE2 GLU A 84 -15.967 -13.335 -3.133 1.00 54.15 O ATOM 0 H GLU A 84 -11.147 -12.894 -3.447 1.00 51.34 H new ATOM 0 HA GLU A 84 -11.766 -10.498 -5.025 1.00 22.12 H new ATOM 0 HB2 GLU A 84 -14.109 -11.139 -4.379 1.00 43.50 H new ATOM 0 HB3 GLU A 84 -13.245 -12.388 -5.254 1.00 43.50 H new ATOM 0 HG2 GLU A 84 -12.750 -13.507 -3.026 1.00 33.03 H new ATOM 0 HG3 GLU A 84 -13.783 -12.318 -2.255 1.00 33.03 H new ATOM 1276 N ASP A 85 -12.668 -8.868 -3.260 1.00 43.02 N ATOM 1277 CA ASP A 85 -12.782 -7.726 -2.312 1.00 54.11 C ATOM 1278 C ASP A 85 -13.634 -8.114 -1.085 1.00 2.40 C ATOM 1279 O ASP A 85 -14.681 -8.741 -1.251 1.00 61.24 O ATOM 1280 CB ASP A 85 -13.413 -6.499 -3.032 1.00 52.44 C ATOM 1281 CG ASP A 85 -12.652 -6.082 -4.307 1.00 22.40 C ATOM 1282 OD1 ASP A 85 -11.471 -5.706 -4.198 1.00 43.43 O ATOM 1283 OD2 ASP A 85 -13.223 -6.165 -5.419 1.00 60.54 O ATOM 0 H ASP A 85 -13.103 -8.686 -4.164 1.00 43.02 H new ATOM 0 HA ASP A 85 -11.782 -7.465 -1.966 1.00 54.11 H new ATOM 0 HB2 ASP A 85 -14.446 -6.731 -3.293 1.00 52.44 H new ATOM 0 HB3 ASP A 85 -13.441 -5.656 -2.342 1.00 52.44 H new ATOM 1288 N GLU A 86 -13.158 -7.766 0.134 1.00 65.43 N ATOM 1289 CA GLU A 86 -13.853 -8.098 1.405 1.00 42.41 C ATOM 1290 C GLU A 86 -15.265 -7.471 1.447 1.00 74.52 C ATOM 1291 O GLU A 86 -16.277 -8.176 1.559 1.00 23.42 O ATOM 1292 CB GLU A 86 -12.999 -7.619 2.626 1.00 64.23 C ATOM 1293 CG GLU A 86 -13.697 -7.700 4.012 1.00 64.43 C ATOM 1294 CD GLU A 86 -13.985 -9.134 4.516 1.00 64.33 C ATOM 1295 OE1 GLU A 86 -14.886 -9.810 3.981 1.00 64.34 O ATOM 1296 OE2 GLU A 86 -13.311 -9.587 5.460 1.00 21.03 O ATOM 0 H GLU A 86 -12.288 -7.251 0.266 1.00 65.43 H new ATOM 0 HA GLU A 86 -13.968 -9.180 1.460 1.00 42.41 H new ATOM 0 HB2 GLU A 86 -12.087 -8.215 2.664 1.00 64.23 H new ATOM 0 HB3 GLU A 86 -12.698 -6.586 2.452 1.00 64.23 H new ATOM 0 HG2 GLU A 86 -13.073 -7.191 4.747 1.00 64.43 H new ATOM 0 HG3 GLU A 86 -14.639 -7.153 3.960 1.00 64.43 H new ATOM 1303 N ASN A 87 -15.291 -6.145 1.333 1.00 2.55 N ATOM 1304 CA ASN A 87 -16.510 -5.329 1.362 1.00 53.32 C ATOM 1305 C ASN A 87 -16.158 -3.954 0.788 1.00 22.34 C ATOM 1306 O ASN A 87 -15.203 -3.854 0.011 1.00 42.32 O ATOM 1307 CB ASN A 87 -17.093 -5.271 2.815 1.00 55.43 C ATOM 1308 CG ASN A 87 -16.162 -4.665 3.880 1.00 64.44 C ATOM 1309 OD1 ASN A 87 -15.366 -3.768 3.612 1.00 45.42 O ATOM 1310 ND2 ASN A 87 -16.248 -5.169 5.105 1.00 24.11 N ATOM 0 H ASN A 87 -14.443 -5.590 1.215 1.00 2.55 H new ATOM 0 HA ASN A 87 -17.300 -5.764 0.750 1.00 53.32 H new ATOM 0 HB2 ASN A 87 -18.017 -4.693 2.794 1.00 55.43 H new ATOM 0 HB3 ASN A 87 -17.357 -6.283 3.122 1.00 55.43 H new ATOM 0 HD21 ASN A 87 -15.646 -4.812 5.847 1.00 24.11 H new ATOM 0 HD22 ASN A 87 -16.916 -5.913 5.304 1.00 24.11 H new ATOM 1317 N PHE A 88 -16.939 -2.909 1.127 1.00 0.51 N ATOM 1318 CA PHE A 88 -16.670 -1.515 0.692 1.00 12.40 C ATOM 1319 C PHE A 88 -17.015 -0.518 1.823 1.00 4.41 C ATOM 1320 O PHE A 88 -17.445 0.606 1.546 1.00 75.43 O ATOM 1321 CB PHE A 88 -17.461 -1.184 -0.619 1.00 74.43 C ATOM 1322 CG PHE A 88 -17.098 -2.082 -1.807 1.00 51.12 C ATOM 1323 CD1 PHE A 88 -15.911 -1.885 -2.517 1.00 54.04 C ATOM 1324 CD2 PHE A 88 -17.914 -3.151 -2.181 1.00 30.51 C ATOM 1325 CE1 PHE A 88 -15.558 -2.727 -3.562 1.00 34.14 C ATOM 1326 CE2 PHE A 88 -17.558 -3.983 -3.229 1.00 51.22 C ATOM 1327 CZ PHE A 88 -16.381 -3.771 -3.917 1.00 44.30 C ATOM 0 H PHE A 88 -17.772 -3.002 1.708 1.00 0.51 H new ATOM 0 HA PHE A 88 -15.607 -1.418 0.473 1.00 12.40 H new ATOM 0 HB2 PHE A 88 -18.529 -1.275 -0.420 1.00 74.43 H new ATOM 0 HB3 PHE A 88 -17.275 -0.145 -0.891 1.00 74.43 H new ATOM 0 HD1 PHE A 88 -15.259 -1.066 -2.249 1.00 54.04 H new ATOM 0 HD2 PHE A 88 -18.835 -3.331 -1.646 1.00 30.51 H new ATOM 0 HE1 PHE A 88 -14.635 -2.562 -4.098 1.00 34.14 H new ATOM 0 HE2 PHE A 88 -18.205 -4.802 -3.509 1.00 51.22 H new ATOM 0 HZ PHE A 88 -16.106 -4.423 -4.733 1.00 44.30 H new ATOM 1337 N ILE A 89 -16.796 -0.932 3.097 1.00 5.45 N ATOM 1338 CA ILE A 89 -17.046 -0.073 4.291 1.00 42.21 C ATOM 1339 C ILE A 89 -16.144 1.177 4.248 1.00 12.23 C ATOM 1340 O ILE A 89 -16.622 2.319 4.201 1.00 54.54 O ATOM 1341 CB ILE A 89 -16.798 -0.853 5.658 1.00 63.53 C ATOM 1342 CG1 ILE A 89 -17.805 -2.036 5.828 1.00 73.35 C ATOM 1343 CG2 ILE A 89 -16.854 0.101 6.887 1.00 74.15 C ATOM 1344 CD1 ILE A 89 -17.636 -2.844 7.113 1.00 3.45 C ATOM 0 H ILE A 89 -16.444 -1.861 3.328 1.00 5.45 H new ATOM 0 HA ILE A 89 -18.095 0.221 4.257 1.00 42.21 H new ATOM 0 HB ILE A 89 -15.792 -1.269 5.610 1.00 63.53 H new ATOM 0 HG12 ILE A 89 -18.819 -1.638 5.797 1.00 73.35 H new ATOM 0 HG13 ILE A 89 -17.700 -2.709 4.977 1.00 73.35 H new ATOM 0 HG21 ILE A 89 -16.680 -0.470 7.799 1.00 74.15 H new ATOM 0 HG22 ILE A 89 -16.086 0.868 6.787 1.00 74.15 H new ATOM 0 HG23 ILE A 89 -17.835 0.574 6.936 1.00 74.15 H new ATOM 0 HD11 ILE A 89 -18.378 -3.642 7.141 1.00 3.45 H new ATOM 0 HD12 ILE A 89 -16.636 -3.277 7.141 1.00 3.45 H new ATOM 0 HD13 ILE A 89 -17.773 -2.190 7.974 1.00 3.45 H new ATOM 1356 N LEU A 90 -14.831 0.924 4.260 1.00 3.14 N ATOM 1357 CA LEU A 90 -13.807 1.964 4.282 1.00 33.11 C ATOM 1358 C LEU A 90 -13.621 2.551 2.874 1.00 64.11 C ATOM 1359 O LEU A 90 -13.017 1.918 1.993 1.00 53.53 O ATOM 1360 CB LEU A 90 -12.487 1.364 4.818 1.00 21.43 C ATOM 1361 CG LEU A 90 -12.503 0.870 6.297 1.00 31.43 C ATOM 1362 CD1 LEU A 90 -11.284 -0.024 6.598 1.00 53.44 C ATOM 1363 CD2 LEU A 90 -12.577 2.067 7.276 1.00 22.20 C ATOM 0 H LEU A 90 -14.449 -0.022 4.255 1.00 3.14 H new ATOM 0 HA LEU A 90 -14.116 2.775 4.942 1.00 33.11 H new ATOM 0 HB2 LEU A 90 -12.209 0.525 4.180 1.00 21.43 H new ATOM 0 HB3 LEU A 90 -11.704 2.115 4.717 1.00 21.43 H new ATOM 0 HG LEU A 90 -13.398 0.264 6.440 1.00 31.43 H new ATOM 0 HD11 LEU A 90 -11.322 -0.353 7.636 1.00 53.44 H new ATOM 0 HD12 LEU A 90 -11.299 -0.893 5.941 1.00 53.44 H new ATOM 0 HD13 LEU A 90 -10.368 0.542 6.430 1.00 53.44 H new ATOM 0 HD21 LEU A 90 -12.587 1.698 8.302 1.00 22.20 H new ATOM 0 HD22 LEU A 90 -11.709 2.710 7.130 1.00 22.20 H new ATOM 0 HD23 LEU A 90 -13.487 2.636 7.086 1.00 22.20 H new ATOM 1375 N LYS A 91 -14.195 3.737 2.666 1.00 24.44 N ATOM 1376 CA LYS A 91 -14.035 4.506 1.426 1.00 41.42 C ATOM 1377 C LYS A 91 -12.745 5.344 1.479 1.00 32.01 C ATOM 1378 O LYS A 91 -12.174 5.572 2.556 1.00 61.31 O ATOM 1379 CB LYS A 91 -15.281 5.406 1.198 1.00 0.31 C ATOM 1380 CG LYS A 91 -15.636 6.341 2.377 1.00 70.14 C ATOM 1381 CD LYS A 91 -16.927 7.181 2.162 1.00 10.43 C ATOM 1382 CE LYS A 91 -16.775 8.323 1.129 1.00 11.33 C ATOM 1383 NZ LYS A 91 -16.674 7.845 -0.276 1.00 44.15 N ATOM 0 H LYS A 91 -14.789 4.196 3.357 1.00 24.44 H new ATOM 0 HA LYS A 91 -13.951 3.818 0.585 1.00 41.42 H new ATOM 0 HB2 LYS A 91 -15.113 6.014 0.309 1.00 0.31 H new ATOM 0 HB3 LYS A 91 -16.139 4.767 0.990 1.00 0.31 H new ATOM 0 HG2 LYS A 91 -15.754 5.740 3.279 1.00 70.14 H new ATOM 0 HG3 LYS A 91 -14.801 7.019 2.552 1.00 70.14 H new ATOM 0 HD2 LYS A 91 -17.729 6.518 1.838 1.00 10.43 H new ATOM 0 HD3 LYS A 91 -17.233 7.608 3.117 1.00 10.43 H new ATOM 0 HE2 LYS A 91 -17.629 8.995 1.215 1.00 11.33 H new ATOM 0 HE3 LYS A 91 -15.886 8.905 1.371 1.00 11.33 H new ATOM 0 HZ1 LYS A 91 -15.700 7.972 -0.617 1.00 44.15 H new ATOM 0 HZ2 LYS A 91 -16.928 6.837 -0.319 1.00 44.15 H new ATOM 0 HZ3 LYS A 91 -17.324 8.392 -0.876 1.00 44.15 H new ATOM 1397 N HIS A 92 -12.307 5.817 0.307 1.00 30.34 N ATOM 1398 CA HIS A 92 -11.054 6.580 0.143 1.00 25.11 C ATOM 1399 C HIS A 92 -11.350 8.086 0.286 1.00 5.12 C ATOM 1400 O HIS A 92 -11.058 8.901 -0.602 1.00 42.23 O ATOM 1401 CB HIS A 92 -10.413 6.241 -1.229 1.00 14.04 C ATOM 1402 CG HIS A 92 -10.148 4.772 -1.449 1.00 34.33 C ATOM 1403 ND1 HIS A 92 -8.883 4.242 -1.598 1.00 74.40 N ATOM 1404 CD2 HIS A 92 -11.003 3.720 -1.561 1.00 71.31 C ATOM 1405 CE1 HIS A 92 -8.972 2.940 -1.784 1.00 11.10 C ATOM 1406 NE2 HIS A 92 -10.244 2.601 -1.766 1.00 64.13 N ATOM 0 H HIS A 92 -12.815 5.682 -0.567 1.00 30.34 H new ATOM 0 HA HIS A 92 -10.339 6.305 0.918 1.00 25.11 H new ATOM 0 HB2 HIS A 92 -11.069 6.602 -2.021 1.00 14.04 H new ATOM 0 HB3 HIS A 92 -9.473 6.785 -1.321 1.00 14.04 H new ATOM 0 HD2 HIS A 92 -12.080 3.761 -1.499 1.00 71.31 H new ATOM 0 HE1 HIS A 92 -8.141 2.265 -1.927 1.00 11.10 H new ATOM 0 HE2 HIS A 92 -10.606 1.655 -1.886 1.00 64.13 H new ATOM 1415 N THR A 93 -11.947 8.431 1.436 1.00 52.32 N ATOM 1416 CA THR A 93 -12.392 9.795 1.758 1.00 71.30 C ATOM 1417 C THR A 93 -11.294 10.585 2.490 1.00 13.03 C ATOM 1418 O THR A 93 -11.434 11.791 2.699 1.00 51.21 O ATOM 1419 CB THR A 93 -13.695 9.742 2.625 1.00 33.02 C ATOM 1420 OG1 THR A 93 -14.230 11.058 2.845 1.00 51.24 O ATOM 1421 CG2 THR A 93 -13.473 9.042 3.978 1.00 65.14 C ATOM 0 H THR A 93 -12.137 7.760 2.180 1.00 52.32 H new ATOM 0 HA THR A 93 -12.605 10.312 0.822 1.00 71.30 H new ATOM 0 HB THR A 93 -14.414 9.153 2.056 1.00 33.02 H new ATOM 0 HG1 THR A 93 -13.496 11.705 2.901 1.00 51.24 H new ATOM 0 HG21 THR A 93 -14.407 9.032 4.540 1.00 65.14 H new ATOM 0 HG22 THR A 93 -13.141 8.018 3.808 1.00 65.14 H new ATOM 0 HG23 THR A 93 -12.714 9.580 4.546 1.00 65.14 H new ATOM 1429 N GLY A 94 -10.198 9.903 2.850 1.00 33.22 N ATOM 1430 CA GLY A 94 -9.127 10.505 3.639 1.00 12.11 C ATOM 1431 C GLY A 94 -7.758 10.393 2.979 1.00 62.00 C ATOM 1432 O GLY A 94 -7.605 9.687 1.973 1.00 40.13 O ATOM 0 H GLY A 94 -10.034 8.927 2.603 1.00 33.22 H new ATOM 0 HA2 GLY A 94 -9.357 11.557 3.808 1.00 12.11 H new ATOM 0 HA3 GLY A 94 -9.092 10.025 4.617 1.00 12.11 H new ATOM 1436 N PRO A 95 -6.744 11.138 3.503 1.00 52.33 N ATOM 1437 CA PRO A 95 -5.328 10.957 3.137 1.00 60.40 C ATOM 1438 C PRO A 95 -4.661 9.835 3.972 1.00 22.21 C ATOM 1439 O PRO A 95 -5.129 9.499 5.072 1.00 45.14 O ATOM 1440 CB PRO A 95 -4.704 12.359 3.435 1.00 34.11 C ATOM 1441 CG PRO A 95 -5.812 13.207 4.027 1.00 42.21 C ATOM 1442 CD PRO A 95 -6.897 12.254 4.459 1.00 21.32 C ATOM 0 HA PRO A 95 -5.189 10.644 2.102 1.00 60.40 H new ATOM 0 HB2 PRO A 95 -3.869 12.272 4.130 1.00 34.11 H new ATOM 0 HB3 PRO A 95 -4.314 12.812 2.523 1.00 34.11 H new ATOM 0 HG2 PRO A 95 -5.446 13.787 4.874 1.00 42.21 H new ATOM 0 HG3 PRO A 95 -6.190 13.918 3.293 1.00 42.21 H new ATOM 0 HD2 PRO A 95 -6.762 11.926 5.490 1.00 21.32 H new ATOM 0 HD3 PRO A 95 -7.885 12.709 4.396 1.00 21.32 H new ATOM 1450 N GLY A 96 -3.570 9.261 3.432 1.00 43.25 N ATOM 1451 CA GLY A 96 -2.827 8.183 4.105 1.00 30.11 C ATOM 1452 C GLY A 96 -3.503 6.818 3.982 1.00 40.21 C ATOM 1453 O GLY A 96 -3.182 5.893 4.726 1.00 74.51 O ATOM 0 H GLY A 96 -3.183 9.529 2.527 1.00 43.25 H new ATOM 0 HA2 GLY A 96 -1.824 8.124 3.683 1.00 30.11 H new ATOM 0 HA3 GLY A 96 -2.715 8.432 5.160 1.00 30.11 H new ATOM 1457 N ILE A 97 -4.436 6.703 3.028 1.00 31.43 N ATOM 1458 CA ILE A 97 -5.243 5.491 2.814 1.00 61.22 C ATOM 1459 C ILE A 97 -4.398 4.361 2.175 1.00 1.34 C ATOM 1460 O ILE A 97 -4.002 4.450 1.009 1.00 12.13 O ATOM 1461 CB ILE A 97 -6.506 5.848 1.927 1.00 61.12 C ATOM 1462 CG1 ILE A 97 -7.583 6.629 2.754 1.00 12.35 C ATOM 1463 CG2 ILE A 97 -7.120 4.626 1.209 1.00 70.35 C ATOM 1464 CD1 ILE A 97 -8.158 5.891 3.953 1.00 24.42 C ATOM 0 H ILE A 97 -4.655 7.456 2.375 1.00 31.43 H new ATOM 0 HA ILE A 97 -5.589 5.119 3.778 1.00 61.22 H new ATOM 0 HB ILE A 97 -6.141 6.505 1.137 1.00 61.12 H new ATOM 0 HG12 ILE A 97 -7.140 7.562 3.103 1.00 12.35 H new ATOM 0 HG13 ILE A 97 -8.403 6.896 2.087 1.00 12.35 H new ATOM 0 HG21 ILE A 97 -7.980 4.944 0.620 1.00 70.35 H new ATOM 0 HG22 ILE A 97 -6.375 4.179 0.551 1.00 70.35 H new ATOM 0 HG23 ILE A 97 -7.438 3.891 1.949 1.00 70.35 H new ATOM 0 HD11 ILE A 97 -8.893 6.523 4.452 1.00 24.42 H new ATOM 0 HD12 ILE A 97 -8.638 4.972 3.618 1.00 24.42 H new ATOM 0 HD13 ILE A 97 -7.356 5.648 4.650 1.00 24.42 H new ATOM 1476 N LEU A 98 -4.112 3.316 2.972 1.00 32.33 N ATOM 1477 CA LEU A 98 -3.426 2.098 2.510 1.00 14.12 C ATOM 1478 C LEU A 98 -4.470 1.019 2.117 1.00 64.01 C ATOM 1479 O LEU A 98 -5.197 0.491 2.969 1.00 34.21 O ATOM 1480 CB LEU A 98 -2.453 1.570 3.604 1.00 74.25 C ATOM 1481 CG LEU A 98 -1.721 0.219 3.292 1.00 13.24 C ATOM 1482 CD1 LEU A 98 -0.822 0.312 2.043 1.00 0.21 C ATOM 1483 CD2 LEU A 98 -0.927 -0.287 4.517 1.00 71.35 C ATOM 0 H LEU A 98 -4.353 3.294 3.963 1.00 32.33 H new ATOM 0 HA LEU A 98 -2.833 2.337 1.628 1.00 14.12 H new ATOM 0 HB2 LEU A 98 -1.697 2.334 3.787 1.00 74.25 H new ATOM 0 HB3 LEU A 98 -3.014 1.449 4.531 1.00 74.25 H new ATOM 0 HG LEU A 98 -2.497 -0.513 3.068 1.00 13.24 H new ATOM 0 HD11 LEU A 98 -0.338 -0.649 1.871 1.00 0.21 H new ATOM 0 HD12 LEU A 98 -1.429 0.573 1.176 1.00 0.21 H new ATOM 0 HD13 LEU A 98 -0.062 1.078 2.198 1.00 0.21 H new ATOM 0 HD21 LEU A 98 -0.432 -1.225 4.267 1.00 71.35 H new ATOM 0 HD22 LEU A 98 -0.179 0.455 4.798 1.00 71.35 H new ATOM 0 HD23 LEU A 98 -1.609 -0.448 5.352 1.00 71.35 H new ATOM 1495 N SER A 99 -4.537 0.727 0.813 1.00 42.41 N ATOM 1496 CA SER A 99 -5.413 -0.309 0.236 1.00 61.21 C ATOM 1497 C SER A 99 -4.618 -1.097 -0.819 1.00 34.24 C ATOM 1498 O SER A 99 -3.737 -0.537 -1.460 1.00 42.41 O ATOM 1499 CB SER A 99 -6.669 0.345 -0.380 1.00 13.40 C ATOM 1500 OG SER A 99 -7.489 -0.601 -1.057 1.00 42.41 O ATOM 0 H SER A 99 -3.975 1.211 0.113 1.00 42.41 H new ATOM 0 HA SER A 99 -5.747 -0.997 1.013 1.00 61.21 H new ATOM 0 HB2 SER A 99 -7.248 0.828 0.407 1.00 13.40 H new ATOM 0 HB3 SER A 99 -6.365 1.126 -1.078 1.00 13.40 H new ATOM 0 HG SER A 99 -8.154 -0.962 -0.435 1.00 42.41 H new ATOM 1506 N MET A 100 -4.918 -2.406 -0.985 1.00 32.23 N ATOM 1507 CA MET A 100 -4.215 -3.258 -1.975 1.00 53.41 C ATOM 1508 C MET A 100 -4.735 -2.985 -3.388 1.00 5.11 C ATOM 1509 O MET A 100 -5.919 -2.667 -3.576 1.00 63.25 O ATOM 1510 CB MET A 100 -4.335 -4.772 -1.644 1.00 63.51 C ATOM 1511 CG MET A 100 -3.677 -5.178 -0.322 1.00 1.01 C ATOM 1512 SD MET A 100 -3.442 -6.955 -0.162 1.00 4.22 S ATOM 1513 CE MET A 100 -2.002 -7.249 -1.199 1.00 25.31 C ATOM 0 H MET A 100 -5.637 -2.894 -0.451 1.00 32.23 H new ATOM 0 HA MET A 100 -3.158 -2.996 -1.924 1.00 53.41 H new ATOM 0 HB2 MET A 100 -5.390 -5.043 -1.610 1.00 63.51 H new ATOM 0 HB3 MET A 100 -3.884 -5.347 -2.453 1.00 63.51 H new ATOM 0 HG2 MET A 100 -2.710 -4.681 -0.237 1.00 1.01 H new ATOM 0 HG3 MET A 100 -4.291 -4.823 0.506 1.00 1.01 H new ATOM 0 HE1 MET A 100 -1.743 -8.308 -1.171 1.00 25.31 H new ATOM 0 HE2 MET A 100 -2.227 -6.957 -2.225 1.00 25.31 H new ATOM 0 HE3 MET A 100 -1.162 -6.660 -0.830 1.00 25.31 H new ATOM 1523 N ALA A 101 -3.832 -3.091 -4.373 1.00 64.33 N ATOM 1524 CA ALA A 101 -4.134 -2.792 -5.777 1.00 10.40 C ATOM 1525 C ALA A 101 -4.931 -3.933 -6.431 1.00 32.04 C ATOM 1526 O ALA A 101 -4.998 -5.059 -5.904 1.00 11.55 O ATOM 1527 CB ALA A 101 -2.835 -2.500 -6.541 1.00 61.01 C ATOM 0 H ALA A 101 -2.869 -3.388 -4.216 1.00 64.33 H new ATOM 0 HA ALA A 101 -4.763 -1.902 -5.817 1.00 10.40 H new ATOM 0 HB1 ALA A 101 -3.067 -2.279 -7.583 1.00 61.01 H new ATOM 0 HB2 ALA A 101 -2.333 -1.643 -6.091 1.00 61.01 H new ATOM 0 HB3 ALA A 101 -2.181 -3.370 -6.492 1.00 61.01 H new ATOM 1533 N ASN A 102 -5.557 -3.602 -7.567 1.00 13.43 N ATOM 1534 CA ASN A 102 -6.362 -4.539 -8.357 1.00 52.03 C ATOM 1535 C ASN A 102 -6.685 -3.915 -9.718 1.00 54.15 C ATOM 1536 O ASN A 102 -6.419 -2.729 -9.953 1.00 32.32 O ATOM 1537 CB ASN A 102 -7.679 -4.940 -7.617 1.00 11.22 C ATOM 1538 CG ASN A 102 -8.679 -3.796 -7.391 1.00 42.43 C ATOM 1539 OD1 ASN A 102 -8.310 -2.629 -7.263 1.00 12.45 O ATOM 1540 ND2 ASN A 102 -9.954 -4.135 -7.304 1.00 31.43 N ATOM 0 H ASN A 102 -5.518 -2.665 -7.967 1.00 13.43 H new ATOM 0 HA ASN A 102 -5.780 -5.450 -8.500 1.00 52.03 H new ATOM 0 HB2 ASN A 102 -8.173 -5.725 -8.189 1.00 11.22 H new ATOM 0 HB3 ASN A 102 -7.417 -5.368 -6.649 1.00 11.22 H new ATOM 0 HD21 ASN A 102 -10.661 -3.421 -7.127 1.00 31.43 H new ATOM 0 HD22 ASN A 102 -10.231 -5.110 -7.414 1.00 31.43 H new ATOM 1547 N ALA A 103 -7.252 -4.734 -10.597 1.00 22.11 N ATOM 1548 CA ALA A 103 -7.782 -4.300 -11.898 1.00 72.02 C ATOM 1549 C ALA A 103 -9.292 -4.607 -11.980 1.00 24.10 C ATOM 1550 O ALA A 103 -9.889 -4.537 -13.058 1.00 15.04 O ATOM 1551 CB ALA A 103 -6.992 -4.989 -13.025 1.00 75.53 C ATOM 0 H ALA A 103 -7.361 -5.734 -10.429 1.00 22.11 H new ATOM 0 HA ALA A 103 -7.662 -3.223 -12.012 1.00 72.02 H new ATOM 0 HB1 ALA A 103 -7.383 -4.669 -13.991 1.00 75.53 H new ATOM 0 HB2 ALA A 103 -5.939 -4.716 -12.951 1.00 75.53 H new ATOM 0 HB3 ALA A 103 -7.094 -6.070 -12.932 1.00 75.53 H new ATOM 1557 N GLY A 104 -9.900 -4.928 -10.816 1.00 3.20 N ATOM 1558 CA GLY A 104 -11.327 -5.245 -10.728 1.00 10.12 C ATOM 1559 C GLY A 104 -11.631 -6.287 -9.647 1.00 52.11 C ATOM 1560 O GLY A 104 -10.761 -6.574 -8.811 1.00 71.14 O ATOM 0 H GLY A 104 -9.412 -4.972 -9.922 1.00 3.20 H new ATOM 0 HA2 GLY A 104 -11.886 -4.333 -10.517 1.00 10.12 H new ATOM 0 HA3 GLY A 104 -11.674 -5.615 -11.693 1.00 10.12 H new ATOM 1564 N PRO A 105 -12.870 -6.877 -9.636 1.00 72.43 N ATOM 1565 CA PRO A 105 -13.267 -7.914 -8.651 1.00 65.24 C ATOM 1566 C PRO A 105 -12.474 -9.223 -8.859 1.00 53.32 C ATOM 1567 O PRO A 105 -12.181 -9.599 -10.004 1.00 14.43 O ATOM 1568 CB PRO A 105 -14.792 -8.116 -8.909 1.00 71.10 C ATOM 1569 CG PRO A 105 -15.201 -6.967 -9.793 1.00 44.23 C ATOM 1570 CD PRO A 105 -13.973 -6.603 -10.592 1.00 30.12 C ATOM 0 HA PRO A 105 -13.057 -7.617 -7.623 1.00 65.24 H new ATOM 0 HB2 PRO A 105 -14.986 -9.073 -9.393 1.00 71.10 H new ATOM 0 HB3 PRO A 105 -15.353 -8.112 -7.974 1.00 71.10 H new ATOM 0 HG2 PRO A 105 -16.024 -7.252 -10.449 1.00 44.23 H new ATOM 0 HG3 PRO A 105 -15.546 -6.121 -9.199 1.00 44.23 H new ATOM 0 HD2 PRO A 105 -13.885 -7.205 -11.496 1.00 30.12 H new ATOM 0 HD3 PRO A 105 -13.988 -5.559 -10.905 1.00 30.12 H new ATOM 1578 N ASN A 106 -12.089 -9.866 -7.731 1.00 41.33 N ATOM 1579 CA ASN A 106 -11.297 -11.129 -7.699 1.00 35.23 C ATOM 1580 C ASN A 106 -9.856 -10.926 -8.245 1.00 55.44 C ATOM 1581 O ASN A 106 -9.102 -11.883 -8.413 1.00 13.42 O ATOM 1582 CB ASN A 106 -12.055 -12.279 -8.437 1.00 4.53 C ATOM 1583 CG ASN A 106 -11.464 -13.678 -8.220 1.00 73.31 C ATOM 1584 OD1 ASN A 106 -10.909 -13.988 -7.157 1.00 71.24 O ATOM 1585 ND2 ASN A 106 -11.551 -14.528 -9.231 1.00 21.35 N ATOM 0 H ASN A 106 -12.321 -9.520 -6.800 1.00 41.33 H new ATOM 0 HA ASN A 106 -11.187 -11.427 -6.656 1.00 35.23 H new ATOM 0 HB2 ASN A 106 -13.093 -12.283 -8.106 1.00 4.53 H new ATOM 0 HB3 ASN A 106 -12.062 -12.064 -9.506 1.00 4.53 H new ATOM 0 HD21 ASN A 106 -11.155 -15.464 -9.146 1.00 21.35 H new ATOM 0 HD22 ASN A 106 -12.014 -14.247 -10.095 1.00 21.35 H new ATOM 1592 N THR A 107 -9.471 -9.656 -8.464 1.00 20.10 N ATOM 1593 CA THR A 107 -8.130 -9.265 -8.917 1.00 31.54 C ATOM 1594 C THR A 107 -7.375 -8.554 -7.762 1.00 73.20 C ATOM 1595 O THR A 107 -6.185 -8.238 -7.870 1.00 15.42 O ATOM 1596 CB THR A 107 -8.238 -8.353 -10.190 1.00 11.42 C ATOM 1597 OG1 THR A 107 -9.249 -8.878 -11.075 1.00 13.41 O ATOM 1598 CG2 THR A 107 -6.906 -8.264 -10.962 1.00 25.52 C ATOM 0 H THR A 107 -10.096 -8.861 -8.328 1.00 20.10 H new ATOM 0 HA THR A 107 -7.561 -10.152 -9.194 1.00 31.54 H new ATOM 0 HB THR A 107 -8.500 -7.352 -9.848 1.00 11.42 H new ATOM 0 HG1 THR A 107 -9.317 -8.307 -11.869 1.00 13.41 H new ATOM 0 HG21 THR A 107 -7.033 -7.622 -11.834 1.00 25.52 H new ATOM 0 HG22 THR A 107 -6.136 -7.847 -10.313 1.00 25.52 H new ATOM 0 HG23 THR A 107 -6.606 -9.261 -11.286 1.00 25.52 H new ATOM 1606 N ASN A 108 -8.113 -8.315 -6.657 1.00 62.52 N ATOM 1607 CA ASN A 108 -7.586 -7.776 -5.383 1.00 1.10 C ATOM 1608 C ASN A 108 -6.530 -8.719 -4.792 1.00 42.31 C ATOM 1609 O ASN A 108 -6.591 -9.910 -5.020 1.00 60.21 O ATOM 1610 CB ASN A 108 -8.772 -7.608 -4.401 1.00 43.34 C ATOM 1611 CG ASN A 108 -8.390 -7.201 -2.975 1.00 20.43 C ATOM 1612 OD1 ASN A 108 -7.419 -6.478 -2.746 1.00 52.12 O ATOM 1613 ND2 ASN A 108 -9.154 -7.665 -1.997 1.00 33.23 N ATOM 0 H ASN A 108 -9.116 -8.496 -6.624 1.00 62.52 H new ATOM 0 HA ASN A 108 -7.106 -6.813 -5.558 1.00 1.10 H new ATOM 0 HB2 ASN A 108 -9.453 -6.859 -4.805 1.00 43.34 H new ATOM 0 HB3 ASN A 108 -9.322 -8.548 -4.358 1.00 43.34 H new ATOM 0 HD21 ASN A 108 -8.944 -7.425 -1.028 1.00 33.23 H new ATOM 0 HD22 ASN A 108 -9.952 -8.262 -2.213 1.00 33.23 H new ATOM 1620 N GLY A 109 -5.575 -8.184 -4.032 1.00 73.51 N ATOM 1621 CA GLY A 109 -4.538 -9.008 -3.405 1.00 31.21 C ATOM 1622 C GLY A 109 -3.275 -9.103 -4.237 1.00 52.41 C ATOM 1623 O GLY A 109 -2.462 -10.013 -4.051 1.00 4.42 O ATOM 0 H GLY A 109 -5.496 -7.186 -3.835 1.00 73.51 H new ATOM 0 HA2 GLY A 109 -4.293 -8.592 -2.428 1.00 31.21 H new ATOM 0 HA3 GLY A 109 -4.931 -10.010 -3.235 1.00 31.21 H new ATOM 1627 N SER A 110 -3.135 -8.164 -5.166 1.00 1.24 N ATOM 1628 CA SER A 110 -1.890 -7.913 -5.879 1.00 35.03 C ATOM 1629 C SER A 110 -1.456 -6.494 -5.529 1.00 43.50 C ATOM 1630 O SER A 110 -2.237 -5.562 -5.730 1.00 12.51 O ATOM 1631 CB SER A 110 -2.095 -8.064 -7.410 1.00 52.43 C ATOM 1632 OG SER A 110 -3.232 -7.342 -7.867 1.00 73.33 O ATOM 0 H SER A 110 -3.896 -7.546 -5.449 1.00 1.24 H new ATOM 0 HA SER A 110 -1.125 -8.633 -5.588 1.00 35.03 H new ATOM 0 HB2 SER A 110 -1.206 -7.710 -7.932 1.00 52.43 H new ATOM 0 HB3 SER A 110 -2.211 -9.119 -7.658 1.00 52.43 H new ATOM 0 HG SER A 110 -4.039 -7.880 -7.727 1.00 73.33 H new ATOM 1638 N GLN A 111 -0.254 -6.345 -4.936 1.00 21.25 N ATOM 1639 CA GLN A 111 0.382 -5.028 -4.700 1.00 14.12 C ATOM 1640 C GLN A 111 -0.387 -4.213 -3.619 1.00 31.20 C ATOM 1641 O GLN A 111 -1.456 -4.626 -3.165 1.00 40.05 O ATOM 1642 CB GLN A 111 0.486 -4.293 -6.078 1.00 52.13 C ATOM 1643 CG GLN A 111 1.494 -3.144 -6.183 1.00 62.31 C ATOM 1644 CD GLN A 111 1.790 -2.731 -7.633 1.00 64.03 C ATOM 1645 OE1 GLN A 111 2.068 -1.561 -7.920 1.00 24.14 O ATOM 1646 NE2 GLN A 111 1.780 -3.692 -8.561 1.00 35.13 N ATOM 0 H GLN A 111 0.305 -7.132 -4.607 1.00 21.25 H new ATOM 0 HA GLN A 111 1.387 -5.150 -4.295 1.00 14.12 H new ATOM 0 HB2 GLN A 111 0.737 -5.033 -6.838 1.00 52.13 H new ATOM 0 HB3 GLN A 111 -0.500 -3.901 -6.328 1.00 52.13 H new ATOM 0 HG2 GLN A 111 1.111 -2.282 -5.637 1.00 62.31 H new ATOM 0 HG3 GLN A 111 2.425 -3.440 -5.699 1.00 62.31 H new ATOM 0 HE21 GLN A 111 1.548 -4.650 -8.300 1.00 35.13 H new ATOM 0 HE22 GLN A 111 2.005 -3.467 -9.530 1.00 35.13 H new ATOM 1655 N PHE A 112 0.172 -3.075 -3.183 1.00 74.22 N ATOM 1656 CA PHE A 112 -0.489 -2.169 -2.218 1.00 73.11 C ATOM 1657 C PHE A 112 -0.163 -0.717 -2.568 1.00 15.31 C ATOM 1658 O PHE A 112 0.866 -0.445 -3.182 1.00 30.41 O ATOM 1659 CB PHE A 112 -0.086 -2.503 -0.747 1.00 42.52 C ATOM 1660 CG PHE A 112 1.416 -2.412 -0.429 1.00 54.40 C ATOM 1661 CD1 PHE A 112 1.996 -1.213 0.010 1.00 12.34 C ATOM 1662 CD2 PHE A 112 2.247 -3.530 -0.561 1.00 71.51 C ATOM 1663 CE1 PHE A 112 3.349 -1.140 0.302 1.00 4.44 C ATOM 1664 CE2 PHE A 112 3.600 -3.452 -0.268 1.00 32.43 C ATOM 1665 CZ PHE A 112 4.148 -2.257 0.162 1.00 3.22 C ATOM 0 H PHE A 112 1.092 -2.753 -3.485 1.00 74.22 H new ATOM 0 HA PHE A 112 -1.567 -2.314 -2.290 1.00 73.11 H new ATOM 0 HB2 PHE A 112 -0.621 -1.826 -0.081 1.00 42.52 H new ATOM 0 HB3 PHE A 112 -0.427 -3.512 -0.517 1.00 42.52 H new ATOM 0 HD1 PHE A 112 1.379 -0.334 0.122 1.00 12.34 H new ATOM 0 HD2 PHE A 112 1.828 -4.467 -0.896 1.00 71.51 H new ATOM 0 HE1 PHE A 112 3.779 -0.208 0.639 1.00 4.44 H new ATOM 0 HE2 PHE A 112 4.227 -4.325 -0.376 1.00 32.43 H new ATOM 0 HZ PHE A 112 5.202 -2.198 0.389 1.00 3.22 H new ATOM 1675 N PHE A 113 -1.044 0.207 -2.161 1.00 5.45 N ATOM 1676 CA PHE A 113 -0.888 1.644 -2.427 1.00 33.02 C ATOM 1677 C PHE A 113 -1.315 2.481 -1.221 1.00 21.32 C ATOM 1678 O PHE A 113 -2.185 2.077 -0.452 1.00 64.03 O ATOM 1679 CB PHE A 113 -1.675 2.094 -3.687 1.00 5.21 C ATOM 1680 CG PHE A 113 -3.178 1.796 -3.725 1.00 15.23 C ATOM 1681 CD1 PHE A 113 -4.099 2.659 -3.122 1.00 3.24 C ATOM 1682 CD2 PHE A 113 -3.671 0.663 -4.368 1.00 61.00 C ATOM 1683 CE1 PHE A 113 -5.451 2.399 -3.165 1.00 4.52 C ATOM 1684 CE2 PHE A 113 -5.031 0.411 -4.415 1.00 11.02 C ATOM 1685 CZ PHE A 113 -5.918 1.275 -3.815 1.00 73.21 C ATOM 0 H PHE A 113 -1.888 -0.022 -1.636 1.00 5.45 H new ATOM 0 HA PHE A 113 0.173 1.811 -2.615 1.00 33.02 H new ATOM 0 HB2 PHE A 113 -1.542 3.170 -3.800 1.00 5.21 H new ATOM 0 HB3 PHE A 113 -1.216 1.623 -4.556 1.00 5.21 H new ATOM 0 HD1 PHE A 113 -3.744 3.544 -2.614 1.00 3.24 H new ATOM 0 HD2 PHE A 113 -2.984 -0.027 -4.835 1.00 61.00 H new ATOM 0 HE1 PHE A 113 -6.146 3.075 -2.690 1.00 4.52 H new ATOM 0 HE2 PHE A 113 -5.398 -0.468 -4.925 1.00 11.02 H new ATOM 0 HZ PHE A 113 -6.978 1.074 -3.853 1.00 73.21 H new ATOM 1695 N ILE A 114 -0.692 3.665 -1.097 1.00 21.24 N ATOM 1696 CA ILE A 114 -0.991 4.651 -0.053 1.00 75.42 C ATOM 1697 C ILE A 114 -1.332 5.987 -0.741 1.00 14.11 C ATOM 1698 O ILE A 114 -0.423 6.655 -1.250 1.00 24.30 O ATOM 1699 CB ILE A 114 0.239 4.885 0.902 1.00 25.35 C ATOM 1700 CG1 ILE A 114 0.890 3.544 1.367 1.00 75.43 C ATOM 1701 CG2 ILE A 114 -0.186 5.751 2.110 1.00 72.21 C ATOM 1702 CD1 ILE A 114 2.256 3.703 2.023 1.00 20.20 C ATOM 0 H ILE A 114 0.047 3.966 -1.733 1.00 21.24 H new ATOM 0 HA ILE A 114 -1.821 4.278 0.547 1.00 75.42 H new ATOM 0 HB ILE A 114 1.003 5.419 0.337 1.00 25.35 H new ATOM 0 HG12 ILE A 114 0.218 3.052 2.070 1.00 75.43 H new ATOM 0 HG13 ILE A 114 0.989 2.884 0.505 1.00 75.43 H new ATOM 0 HG21 ILE A 114 0.671 5.908 2.765 1.00 72.21 H new ATOM 0 HG22 ILE A 114 -0.553 6.714 1.756 1.00 72.21 H new ATOM 0 HG23 ILE A 114 -0.976 5.242 2.662 1.00 72.21 H new ATOM 0 HD11 ILE A 114 2.635 2.724 2.315 1.00 20.20 H new ATOM 0 HD12 ILE A 114 2.947 4.164 1.317 1.00 20.20 H new ATOM 0 HD13 ILE A 114 2.164 4.335 2.906 1.00 20.20 H new ATOM 1714 N CYS A 115 -2.616 6.368 -0.787 1.00 65.21 N ATOM 1715 CA CYS A 115 -3.020 7.636 -1.404 1.00 11.53 C ATOM 1716 C CYS A 115 -2.907 8.769 -0.379 1.00 51.31 C ATOM 1717 O CYS A 115 -3.607 8.770 0.646 1.00 44.03 O ATOM 1718 CB CYS A 115 -4.438 7.547 -1.995 1.00 73.02 C ATOM 1719 SG CYS A 115 -5.771 7.342 -0.812 1.00 51.13 S ATOM 0 H CYS A 115 -3.387 5.819 -0.407 1.00 65.21 H new ATOM 0 HA CYS A 115 -2.347 7.851 -2.234 1.00 11.53 H new ATOM 0 HB2 CYS A 115 -4.627 8.452 -2.572 1.00 73.02 H new ATOM 0 HB3 CYS A 115 -4.467 6.711 -2.694 1.00 73.02 H new ATOM 0 HG CYS A 115 -6.332 8.493 -0.586 1.00 51.13 H new ATOM 1725 N THR A 116 -1.983 9.705 -0.651 1.00 21.21 N ATOM 1726 CA THR A 116 -1.767 10.903 0.171 1.00 52.13 C ATOM 1727 C THR A 116 -2.913 11.912 -0.030 1.00 21.12 C ATOM 1728 O THR A 116 -3.113 12.816 0.779 1.00 60.20 O ATOM 1729 CB THR A 116 -0.420 11.582 -0.197 1.00 72.24 C ATOM 1730 OG1 THR A 116 -0.473 11.997 -1.566 1.00 50.41 O ATOM 1731 CG2 THR A 116 0.793 10.650 0.017 1.00 34.34 C ATOM 0 H THR A 116 -1.360 9.649 -1.456 1.00 21.21 H new ATOM 0 HA THR A 116 -1.740 10.591 1.215 1.00 52.13 H new ATOM 0 HB THR A 116 -0.284 12.437 0.465 1.00 72.24 H new ATOM 0 HG1 THR A 116 0.113 11.425 -2.104 1.00 50.41 H new ATOM 0 HG21 THR A 116 1.708 11.175 -0.256 1.00 34.34 H new ATOM 0 HG22 THR A 116 0.843 10.353 1.065 1.00 34.34 H new ATOM 0 HG23 THR A 116 0.685 9.763 -0.607 1.00 34.34 H new ATOM 1739 N ALA A 117 -3.614 11.765 -1.157 1.00 1.41 N ATOM 1740 CA ALA A 117 -4.843 12.508 -1.453 1.00 12.13 C ATOM 1741 C ALA A 117 -6.065 11.608 -1.212 1.00 10.43 C ATOM 1742 O ALA A 117 -5.954 10.373 -1.260 1.00 23.14 O ATOM 1743 CB ALA A 117 -4.805 13.011 -2.900 1.00 74.14 C ATOM 0 H ALA A 117 -3.342 11.120 -1.898 1.00 1.41 H new ATOM 0 HA ALA A 117 -4.919 13.371 -0.792 1.00 12.13 H new ATOM 0 HB1 ALA A 117 -5.719 13.563 -3.118 1.00 74.14 H new ATOM 0 HB2 ALA A 117 -3.945 13.667 -3.035 1.00 74.14 H new ATOM 0 HB3 ALA A 117 -4.724 12.162 -3.578 1.00 74.14 H new ATOM 1749 N LYS A 118 -7.229 12.231 -0.948 1.00 61.34 N ATOM 1750 CA LYS A 118 -8.503 11.513 -0.825 1.00 14.32 C ATOM 1751 C LYS A 118 -8.999 11.104 -2.227 1.00 70.14 C ATOM 1752 O LYS A 118 -9.776 11.815 -2.876 1.00 65.00 O ATOM 1753 CB LYS A 118 -9.562 12.358 -0.048 1.00 62.22 C ATOM 1754 CG LYS A 118 -9.792 13.798 -0.568 1.00 51.41 C ATOM 1755 CD LYS A 118 -11.051 14.465 0.041 1.00 64.13 C ATOM 1756 CE LYS A 118 -12.357 13.723 -0.328 1.00 44.13 C ATOM 1757 NZ LYS A 118 -13.572 14.439 0.164 1.00 32.32 N ATOM 0 H LYS A 118 -7.309 13.239 -0.815 1.00 61.34 H new ATOM 0 HA LYS A 118 -8.347 10.607 -0.239 1.00 14.32 H new ATOM 0 HB2 LYS A 118 -10.513 11.826 -0.075 1.00 62.22 H new ATOM 0 HB3 LYS A 118 -9.258 12.414 0.997 1.00 62.22 H new ATOM 0 HG2 LYS A 118 -8.917 14.406 -0.337 1.00 51.41 H new ATOM 0 HG3 LYS A 118 -9.888 13.776 -1.654 1.00 51.41 H new ATOM 0 HD2 LYS A 118 -10.951 14.498 1.126 1.00 64.13 H new ATOM 0 HD3 LYS A 118 -11.114 15.497 -0.305 1.00 64.13 H new ATOM 0 HE2 LYS A 118 -12.416 13.612 -1.411 1.00 44.13 H new ATOM 0 HE3 LYS A 118 -12.334 12.718 0.094 1.00 44.13 H new ATOM 0 HZ1 LYS A 118 -14.423 13.905 -0.106 1.00 32.32 H new ATOM 0 HZ2 LYS A 118 -13.530 14.522 1.200 1.00 32.32 H new ATOM 0 HZ3 LYS A 118 -13.610 15.389 -0.259 1.00 32.32 H new ATOM 1771 N THR A 119 -8.482 9.969 -2.715 1.00 5.41 N ATOM 1772 CA THR A 119 -8.776 9.480 -4.061 1.00 65.32 C ATOM 1773 C THR A 119 -10.188 8.853 -4.099 1.00 32.01 C ATOM 1774 O THR A 119 -10.367 7.644 -3.963 1.00 74.41 O ATOM 1775 CB THR A 119 -7.665 8.471 -4.496 1.00 74.22 C ATOM 1776 OG1 THR A 119 -7.542 7.416 -3.520 1.00 45.42 O ATOM 1777 CG2 THR A 119 -6.300 9.169 -4.662 1.00 41.25 C ATOM 0 H THR A 119 -7.850 9.368 -2.186 1.00 5.41 H new ATOM 0 HA THR A 119 -8.774 10.306 -4.772 1.00 65.32 H new ATOM 0 HB THR A 119 -7.960 8.054 -5.459 1.00 74.22 H new ATOM 0 HG1 THR A 119 -6.939 7.702 -2.803 1.00 45.42 H new ATOM 0 HG21 THR A 119 -5.551 8.437 -4.965 1.00 41.25 H new ATOM 0 HG22 THR A 119 -6.378 9.945 -5.424 1.00 41.25 H new ATOM 0 HG23 THR A 119 -6.004 9.620 -3.715 1.00 41.25 H new ATOM 1785 N GLU A 120 -11.185 9.723 -4.323 1.00 62.24 N ATOM 1786 CA GLU A 120 -12.616 9.376 -4.218 1.00 14.22 C ATOM 1787 C GLU A 120 -13.119 8.614 -5.454 1.00 74.53 C ATOM 1788 O GLU A 120 -14.158 7.953 -5.411 1.00 31.40 O ATOM 1789 CB GLU A 120 -13.442 10.661 -3.977 1.00 12.31 C ATOM 1790 CG GLU A 120 -13.262 11.765 -5.040 1.00 53.00 C ATOM 1791 CD GLU A 120 -14.059 13.034 -4.715 1.00 35.22 C ATOM 1792 OE1 GLU A 120 -13.522 13.931 -4.027 1.00 5.14 O ATOM 1793 OE2 GLU A 120 -15.237 13.133 -5.130 1.00 61.32 O ATOM 0 H GLU A 120 -11.022 10.695 -4.584 1.00 62.24 H new ATOM 0 HA GLU A 120 -12.743 8.704 -3.369 1.00 14.22 H new ATOM 0 HB2 GLU A 120 -14.497 10.392 -3.930 1.00 12.31 H new ATOM 0 HB3 GLU A 120 -13.173 11.069 -3.003 1.00 12.31 H new ATOM 0 HG2 GLU A 120 -12.204 12.016 -5.122 1.00 53.00 H new ATOM 0 HG3 GLU A 120 -13.575 11.383 -6.012 1.00 53.00 H new ATOM 1800 N TRP A 121 -12.350 8.681 -6.550 1.00 0.11 N ATOM 1801 CA TRP A 121 -12.617 7.895 -7.768 1.00 34.13 C ATOM 1802 C TRP A 121 -12.242 6.405 -7.563 1.00 72.12 C ATOM 1803 O TRP A 121 -12.412 5.592 -8.472 1.00 32.22 O ATOM 1804 CB TRP A 121 -11.900 8.532 -8.997 1.00 10.31 C ATOM 1805 CG TRP A 121 -10.414 8.792 -8.816 1.00 52.14 C ATOM 1806 CD1 TRP A 121 -9.384 7.991 -9.212 1.00 2.13 C ATOM 1807 CD2 TRP A 121 -9.801 9.949 -8.212 1.00 75.32 C ATOM 1808 NE1 TRP A 121 -8.182 8.545 -8.849 1.00 3.11 N ATOM 1809 CE2 TRP A 121 -8.408 9.755 -8.252 1.00 44.04 C ATOM 1810 CE3 TRP A 121 -10.297 11.126 -7.633 1.00 11.35 C ATOM 1811 CZ2 TRP A 121 -7.507 10.686 -7.741 1.00 51.41 C ATOM 1812 CZ3 TRP A 121 -9.404 12.053 -7.128 1.00 2.13 C ATOM 1813 CH2 TRP A 121 -8.021 11.830 -7.187 1.00 12.23 C ATOM 0 H TRP A 121 -11.527 9.279 -6.620 1.00 0.11 H new ATOM 0 HA TRP A 121 -13.687 7.918 -7.974 1.00 34.13 H new ATOM 0 HB2 TRP A 121 -12.036 7.876 -9.857 1.00 10.31 H new ATOM 0 HB3 TRP A 121 -12.391 9.475 -9.235 1.00 10.31 H new ATOM 0 HD1 TRP A 121 -9.498 7.054 -9.737 1.00 2.13 H new ATOM 0 HE1 TRP A 121 -7.266 8.122 -9.000 1.00 3.11 H new ATOM 0 HE3 TRP A 121 -11.361 11.306 -7.582 1.00 11.35 H new ATOM 0 HZ2 TRP A 121 -6.442 10.513 -7.780 1.00 51.41 H new ATOM 0 HZ3 TRP A 121 -9.777 12.963 -6.681 1.00 2.13 H new ATOM 0 HH2 TRP A 121 -7.347 12.574 -6.788 1.00 12.23 H new ATOM 1824 N LEU A 122 -11.736 6.063 -6.355 1.00 2.32 N ATOM 1825 CA LEU A 122 -11.463 4.669 -5.928 1.00 11.10 C ATOM 1826 C LEU A 122 -12.612 4.096 -5.077 1.00 34.42 C ATOM 1827 O LEU A 122 -12.517 2.941 -4.630 1.00 63.34 O ATOM 1828 CB LEU A 122 -10.135 4.586 -5.120 1.00 60.30 C ATOM 1829 CG LEU A 122 -8.806 4.561 -5.929 1.00 34.12 C ATOM 1830 CD1 LEU A 122 -8.658 5.767 -6.855 1.00 40.24 C ATOM 1831 CD2 LEU A 122 -7.606 4.458 -4.984 1.00 44.22 C ATOM 0 H LEU A 122 -11.503 6.754 -5.642 1.00 2.32 H new ATOM 0 HA LEU A 122 -11.374 4.073 -6.836 1.00 11.10 H new ATOM 0 HB2 LEU A 122 -10.100 5.438 -4.441 1.00 60.30 H new ATOM 0 HB3 LEU A 122 -10.171 3.688 -4.503 1.00 60.30 H new ATOM 0 HG LEU A 122 -8.838 3.677 -6.565 1.00 34.12 H new ATOM 0 HD11 LEU A 122 -7.713 5.698 -7.394 1.00 40.24 H new ATOM 0 HD12 LEU A 122 -9.483 5.782 -7.568 1.00 40.24 H new ATOM 0 HD13 LEU A 122 -8.672 6.683 -6.264 1.00 40.24 H new ATOM 0 HD21 LEU A 122 -6.685 4.442 -5.566 1.00 44.22 H new ATOM 0 HD22 LEU A 122 -7.596 5.317 -4.313 1.00 44.22 H new ATOM 0 HD23 LEU A 122 -7.681 3.542 -4.399 1.00 44.22 H new ATOM 1843 N ASP A 123 -13.664 4.896 -4.817 1.00 64.13 N ATOM 1844 CA ASP A 123 -14.870 4.391 -4.130 1.00 10.41 C ATOM 1845 C ASP A 123 -15.623 3.462 -5.097 1.00 65.44 C ATOM 1846 O ASP A 123 -15.845 3.826 -6.258 1.00 42.41 O ATOM 1847 CB ASP A 123 -15.798 5.542 -3.657 1.00 75.43 C ATOM 1848 CG ASP A 123 -15.127 6.577 -2.734 1.00 13.40 C ATOM 1849 OD1 ASP A 123 -14.269 6.204 -1.908 1.00 35.32 O ATOM 1850 OD2 ASP A 123 -15.489 7.773 -2.802 1.00 2.11 O ATOM 0 H ASP A 123 -13.705 5.884 -5.069 1.00 64.13 H new ATOM 0 HA ASP A 123 -14.563 3.848 -3.236 1.00 10.41 H new ATOM 0 HB2 ASP A 123 -16.189 6.058 -4.534 1.00 75.43 H new ATOM 0 HB3 ASP A 123 -16.652 5.110 -3.135 1.00 75.43 H new ATOM 1855 N GLY A 124 -15.971 2.255 -4.638 1.00 23.44 N ATOM 1856 CA GLY A 124 -16.538 1.217 -5.512 1.00 54.34 C ATOM 1857 C GLY A 124 -15.464 0.250 -6.005 1.00 55.20 C ATOM 1858 O GLY A 124 -15.768 -0.891 -6.355 1.00 12.41 O ATOM 0 H GLY A 124 -15.870 1.970 -3.664 1.00 23.44 H new ATOM 0 HA2 GLY A 124 -17.306 0.664 -4.971 1.00 54.34 H new ATOM 0 HA3 GLY A 124 -17.026 1.686 -6.366 1.00 54.34 H new ATOM 1862 N LYS A 125 -14.196 0.722 -6.049 1.00 74.13 N ATOM 1863 CA LYS A 125 -13.014 -0.149 -6.221 1.00 70.14 C ATOM 1864 C LYS A 125 -12.641 -0.708 -4.819 1.00 0.34 C ATOM 1865 O LYS A 125 -13.391 -0.491 -3.857 1.00 3.01 O ATOM 1866 CB LYS A 125 -11.828 0.642 -6.876 1.00 54.25 C ATOM 1867 CG LYS A 125 -10.788 -0.245 -7.621 1.00 51.14 C ATOM 1868 CD LYS A 125 -9.504 0.519 -8.026 1.00 12.13 C ATOM 1869 CE LYS A 125 -8.635 0.917 -6.817 1.00 32.24 C ATOM 1870 NZ LYS A 125 -8.094 -0.266 -6.087 1.00 11.51 N ATOM 0 H LYS A 125 -13.966 1.712 -5.967 1.00 74.13 H new ATOM 0 HA LYS A 125 -13.235 -0.975 -6.897 1.00 70.14 H new ATOM 0 HB2 LYS A 125 -12.237 1.367 -7.580 1.00 54.25 H new ATOM 0 HB3 LYS A 125 -11.313 1.207 -6.099 1.00 54.25 H new ATOM 0 HG2 LYS A 125 -10.515 -1.086 -6.983 1.00 51.14 H new ATOM 0 HG3 LYS A 125 -11.251 -0.661 -8.516 1.00 51.14 H new ATOM 0 HD2 LYS A 125 -8.915 -0.102 -8.701 1.00 12.13 H new ATOM 0 HD3 LYS A 125 -9.781 1.417 -8.579 1.00 12.13 H new ATOM 0 HE2 LYS A 125 -7.807 1.539 -7.158 1.00 32.24 H new ATOM 0 HE3 LYS A 125 -9.228 1.523 -6.132 1.00 32.24 H new ATOM 0 HZ1 LYS A 125 -7.157 -0.036 -5.699 1.00 11.51 H new ATOM 0 HZ2 LYS A 125 -8.738 -0.519 -5.311 1.00 11.51 H new ATOM 0 HZ3 LYS A 125 -8.009 -1.069 -6.742 1.00 11.51 H new ATOM 1884 N HIS A 126 -11.460 -1.340 -4.667 1.00 62.01 N ATOM 1885 CA HIS A 126 -11.142 -2.144 -3.478 1.00 25.34 C ATOM 1886 C HIS A 126 -11.073 -1.282 -2.194 1.00 74.11 C ATOM 1887 O HIS A 126 -10.400 -0.247 -2.153 1.00 51.23 O ATOM 1888 CB HIS A 126 -9.791 -2.877 -3.679 1.00 1.35 C ATOM 1889 CG HIS A 126 -9.300 -3.576 -2.440 1.00 25.33 C ATOM 1890 ND1 HIS A 126 -8.077 -3.320 -1.869 1.00 11.15 N ATOM 1891 CD2 HIS A 126 -9.903 -4.482 -1.630 1.00 31.52 C ATOM 1892 CE1 HIS A 126 -7.947 -4.030 -0.776 1.00 23.03 C ATOM 1893 NE2 HIS A 126 -9.042 -4.744 -0.602 1.00 33.11 N ATOM 0 H HIS A 126 -10.710 -1.306 -5.358 1.00 62.01 H new ATOM 0 HA HIS A 126 -11.946 -2.869 -3.353 1.00 25.34 H new ATOM 0 HB2 HIS A 126 -9.898 -3.607 -4.481 1.00 1.35 H new ATOM 0 HB3 HIS A 126 -9.040 -2.156 -4.003 1.00 1.35 H new ATOM 0 HD1 HIS A 126 -7.378 -2.676 -2.239 1.00 11.15 H new ATOM 0 HD2 HIS A 126 -10.882 -4.916 -1.772 1.00 31.52 H new ATOM 0 HE1 HIS A 126 -7.085 -4.031 -0.125 1.00 23.03 H new ATOM 1902 N VAL A 127 -11.774 -1.796 -1.161 1.00 14.23 N ATOM 1903 CA VAL A 127 -11.883 -1.211 0.182 1.00 62.44 C ATOM 1904 C VAL A 127 -10.503 -1.041 0.854 1.00 54.03 C ATOM 1905 O VAL A 127 -9.568 -1.819 0.610 1.00 23.32 O ATOM 1906 CB VAL A 127 -12.806 -2.127 1.083 1.00 11.11 C ATOM 1907 CG1 VAL A 127 -12.216 -3.553 1.259 1.00 54.21 C ATOM 1908 CG2 VAL A 127 -13.109 -1.483 2.450 1.00 44.44 C ATOM 0 H VAL A 127 -12.299 -2.666 -1.249 1.00 14.23 H new ATOM 0 HA VAL A 127 -12.323 -0.219 0.079 1.00 62.44 H new ATOM 0 HB VAL A 127 -13.752 -2.224 0.551 1.00 11.11 H new ATOM 0 HG11 VAL A 127 -12.882 -4.148 1.884 1.00 54.21 H new ATOM 0 HG12 VAL A 127 -12.114 -4.028 0.283 1.00 54.21 H new ATOM 0 HG13 VAL A 127 -11.237 -3.486 1.733 1.00 54.21 H new ATOM 0 HG21 VAL A 127 -13.746 -2.149 3.033 1.00 44.44 H new ATOM 0 HG22 VAL A 127 -12.176 -1.312 2.986 1.00 44.44 H new ATOM 0 HG23 VAL A 127 -13.620 -0.532 2.299 1.00 44.44 H new ATOM 1918 N VAL A 128 -10.391 0.005 1.683 1.00 74.13 N ATOM 1919 CA VAL A 128 -9.193 0.286 2.497 1.00 61.23 C ATOM 1920 C VAL A 128 -9.033 -0.804 3.578 1.00 3.52 C ATOM 1921 O VAL A 128 -10.014 -1.458 3.944 1.00 32.10 O ATOM 1922 CB VAL A 128 -9.314 1.700 3.182 1.00 23.13 C ATOM 1923 CG1 VAL A 128 -7.992 2.134 3.844 1.00 53.41 C ATOM 1924 CG2 VAL A 128 -9.832 2.759 2.177 1.00 45.33 C ATOM 0 H VAL A 128 -11.136 0.690 1.811 1.00 74.13 H new ATOM 0 HA VAL A 128 -8.318 0.285 1.847 1.00 61.23 H new ATOM 0 HB VAL A 128 -10.049 1.617 3.983 1.00 23.13 H new ATOM 0 HG11 VAL A 128 -8.120 3.114 4.304 1.00 53.41 H new ATOM 0 HG12 VAL A 128 -7.712 1.408 4.608 1.00 53.41 H new ATOM 0 HG13 VAL A 128 -7.207 2.187 3.089 1.00 53.41 H new ATOM 0 HG21 VAL A 128 -9.907 3.726 2.674 1.00 45.33 H new ATOM 0 HG22 VAL A 128 -9.139 2.834 1.339 1.00 45.33 H new ATOM 0 HG23 VAL A 128 -10.815 2.463 1.810 1.00 45.33 H new ATOM 1934 N PHE A 129 -7.803 -1.020 4.071 1.00 51.41 N ATOM 1935 CA PHE A 129 -7.559 -1.942 5.199 1.00 4.22 C ATOM 1936 C PHE A 129 -6.638 -1.312 6.244 1.00 51.25 C ATOM 1937 O PHE A 129 -6.665 -1.708 7.401 1.00 42.24 O ATOM 1938 CB PHE A 129 -6.991 -3.296 4.709 1.00 11.11 C ATOM 1939 CG PHE A 129 -5.587 -3.219 4.113 1.00 24.41 C ATOM 1940 CD1 PHE A 129 -5.387 -2.963 2.763 1.00 51.34 C ATOM 1941 CD2 PHE A 129 -4.465 -3.389 4.916 1.00 65.51 C ATOM 1942 CE1 PHE A 129 -4.111 -2.886 2.240 1.00 22.33 C ATOM 1943 CE2 PHE A 129 -3.203 -3.303 4.391 1.00 53.34 C ATOM 1944 CZ PHE A 129 -3.023 -3.056 3.052 1.00 44.40 C ATOM 0 H PHE A 129 -6.962 -0.571 3.709 1.00 51.41 H new ATOM 0 HA PHE A 129 -8.521 -2.135 5.673 1.00 4.22 H new ATOM 0 HB2 PHE A 129 -6.978 -3.994 5.546 1.00 11.11 H new ATOM 0 HB3 PHE A 129 -7.667 -3.709 3.960 1.00 11.11 H new ATOM 0 HD1 PHE A 129 -6.239 -2.822 2.114 1.00 51.34 H new ATOM 0 HD2 PHE A 129 -4.590 -3.592 5.969 1.00 65.51 H new ATOM 0 HE1 PHE A 129 -3.972 -2.691 1.187 1.00 22.33 H new ATOM 0 HE2 PHE A 129 -2.344 -3.430 5.034 1.00 53.34 H new ATOM 0 HZ PHE A 129 -2.026 -2.996 2.641 1.00 44.40 H new ATOM 1954 N GLY A 130 -5.809 -0.351 5.811 1.00 70.44 N ATOM 1955 CA GLY A 130 -4.839 0.303 6.681 1.00 43.14 C ATOM 1956 C GLY A 130 -4.805 1.798 6.452 1.00 15.24 C ATOM 1957 O GLY A 130 -5.266 2.285 5.419 1.00 0.34 O ATOM 0 H GLY A 130 -5.797 -0.011 4.849 1.00 70.44 H new ATOM 0 HA2 GLY A 130 -5.088 0.099 7.722 1.00 43.14 H new ATOM 0 HA3 GLY A 130 -3.849 -0.116 6.502 1.00 43.14 H new ATOM 1961 N LYS A 131 -4.255 2.531 7.415 1.00 20.10 N ATOM 1962 CA LYS A 131 -4.091 3.987 7.321 1.00 23.13 C ATOM 1963 C LYS A 131 -2.783 4.381 8.002 1.00 64.54 C ATOM 1964 O LYS A 131 -2.457 3.842 9.065 1.00 50.45 O ATOM 1965 CB LYS A 131 -5.286 4.702 8.000 1.00 33.24 C ATOM 1966 CG LYS A 131 -5.264 6.249 7.924 1.00 42.42 C ATOM 1967 CD LYS A 131 -6.351 6.909 8.812 1.00 2.14 C ATOM 1968 CE LYS A 131 -6.183 6.567 10.307 1.00 11.24 C ATOM 1969 NZ LYS A 131 -7.162 7.290 11.172 1.00 21.33 N ATOM 0 H LYS A 131 -3.907 2.135 8.288 1.00 20.10 H new ATOM 0 HA LYS A 131 -4.062 4.287 6.274 1.00 23.13 H new ATOM 0 HB2 LYS A 131 -6.209 4.346 7.542 1.00 33.24 H new ATOM 0 HB3 LYS A 131 -5.316 4.407 9.049 1.00 33.24 H new ATOM 0 HG2 LYS A 131 -4.282 6.610 8.231 1.00 42.42 H new ATOM 0 HG3 LYS A 131 -5.408 6.560 6.889 1.00 42.42 H new ATOM 0 HD2 LYS A 131 -6.312 7.991 8.684 1.00 2.14 H new ATOM 0 HD3 LYS A 131 -7.336 6.583 8.477 1.00 2.14 H new ATOM 0 HE2 LYS A 131 -6.304 5.493 10.447 1.00 11.24 H new ATOM 0 HE3 LYS A 131 -5.170 6.818 10.622 1.00 11.24 H new ATOM 0 HZ1 LYS A 131 -7.008 7.026 12.166 1.00 21.33 H new ATOM 0 HZ2 LYS A 131 -7.031 8.316 11.062 1.00 21.33 H new ATOM 0 HZ3 LYS A 131 -8.130 7.032 10.892 1.00 21.33 H new ATOM 1983 N VAL A 132 -2.042 5.314 7.380 1.00 45.14 N ATOM 1984 CA VAL A 132 -0.822 5.877 7.960 1.00 53.22 C ATOM 1985 C VAL A 132 -1.189 6.641 9.242 1.00 71.42 C ATOM 1986 O VAL A 132 -1.759 7.740 9.178 1.00 21.45 O ATOM 1987 CB VAL A 132 -0.082 6.846 6.965 1.00 42.55 C ATOM 1988 CG1 VAL A 132 1.236 7.361 7.575 1.00 42.24 C ATOM 1989 CG2 VAL A 132 0.171 6.175 5.607 1.00 54.13 C ATOM 0 H VAL A 132 -2.276 5.695 6.463 1.00 45.14 H new ATOM 0 HA VAL A 132 -0.142 5.054 8.180 1.00 53.22 H new ATOM 0 HB VAL A 132 -0.736 7.701 6.794 1.00 42.55 H new ATOM 0 HG11 VAL A 132 1.728 8.029 6.868 1.00 42.24 H new ATOM 0 HG12 VAL A 132 1.023 7.902 8.497 1.00 42.24 H new ATOM 0 HG13 VAL A 132 1.890 6.517 7.793 1.00 42.24 H new ATOM 0 HG21 VAL A 132 0.684 6.874 4.946 1.00 54.13 H new ATOM 0 HG22 VAL A 132 0.790 5.289 5.749 1.00 54.13 H new ATOM 0 HG23 VAL A 132 -0.781 5.885 5.161 1.00 54.13 H new ATOM 1999 N LYS A 133 -0.910 6.029 10.397 1.00 2.53 N ATOM 2000 CA LYS A 133 -1.204 6.640 11.699 1.00 65.44 C ATOM 2001 C LYS A 133 -0.037 7.553 12.109 1.00 52.32 C ATOM 2002 O LYS A 133 -0.243 8.579 12.764 1.00 4.41 O ATOM 2003 CB LYS A 133 -1.499 5.552 12.767 1.00 65.43 C ATOM 2004 CG LYS A 133 -0.341 4.584 13.070 1.00 73.12 C ATOM 2005 CD LYS A 133 -0.741 3.471 14.066 1.00 40.51 C ATOM 2006 CE LYS A 133 -1.201 4.010 15.432 1.00 0.31 C ATOM 2007 NZ LYS A 133 -1.575 2.911 16.371 1.00 52.24 N ATOM 0 H LYS A 133 -0.479 5.107 10.458 1.00 2.53 H new ATOM 0 HA LYS A 133 -2.103 7.251 11.620 1.00 65.44 H new ATOM 0 HB2 LYS A 133 -1.786 6.048 13.694 1.00 65.43 H new ATOM 0 HB3 LYS A 133 -2.359 4.969 12.437 1.00 65.43 H new ATOM 0 HG2 LYS A 133 -0.000 4.129 12.140 1.00 73.12 H new ATOM 0 HG3 LYS A 133 0.500 5.146 13.477 1.00 73.12 H new ATOM 0 HD2 LYS A 133 -1.543 2.875 13.630 1.00 40.51 H new ATOM 0 HD3 LYS A 133 0.108 2.804 14.214 1.00 40.51 H new ATOM 0 HE2 LYS A 133 -0.403 4.608 15.873 1.00 0.31 H new ATOM 0 HE3 LYS A 133 -2.055 4.673 15.291 1.00 0.31 H new ATOM 0 HZ1 LYS A 133 -1.279 3.163 17.336 1.00 52.24 H new ATOM 0 HZ2 LYS A 133 -2.605 2.772 16.350 1.00 52.24 H new ATOM 0 HZ3 LYS A 133 -1.101 2.031 16.082 1.00 52.24 H new ATOM 2021 N GLU A 134 1.188 7.165 11.687 1.00 4.32 N ATOM 2022 CA GLU A 134 2.444 7.902 11.948 1.00 52.21 C ATOM 2023 C GLU A 134 3.366 7.781 10.723 1.00 14.54 C ATOM 2024 O GLU A 134 3.345 6.755 10.032 1.00 33.43 O ATOM 2025 CB GLU A 134 3.170 7.323 13.191 1.00 44.33 C ATOM 2026 CG GLU A 134 2.382 7.407 14.522 1.00 31.44 C ATOM 2027 CD GLU A 134 2.826 6.353 15.540 1.00 75.13 C ATOM 2028 OE1 GLU A 134 3.872 6.540 16.187 1.00 20.35 O ATOM 2029 OE2 GLU A 134 2.142 5.314 15.672 1.00 73.22 O ATOM 0 H GLU A 134 1.333 6.313 11.145 1.00 4.32 H new ATOM 0 HA GLU A 134 2.203 8.948 12.137 1.00 52.21 H new ATOM 0 HB2 GLU A 134 3.410 6.278 12.996 1.00 44.33 H new ATOM 0 HB3 GLU A 134 4.116 7.849 13.315 1.00 44.33 H new ATOM 0 HG2 GLU A 134 2.511 8.400 14.953 1.00 31.44 H new ATOM 0 HG3 GLU A 134 1.318 7.284 14.318 1.00 31.44 H new ATOM 2036 N GLY A 135 4.188 8.818 10.483 1.00 30.24 N ATOM 2037 CA GLY A 135 5.114 8.835 9.345 1.00 3.33 C ATOM 2038 C GLY A 135 4.465 9.312 8.051 1.00 54.43 C ATOM 2039 O GLY A 135 4.967 9.020 6.964 1.00 24.11 O ATOM 0 H GLY A 135 4.227 9.655 11.065 1.00 30.24 H new ATOM 0 HA2 GLY A 135 5.958 9.483 9.581 1.00 3.33 H new ATOM 0 HA3 GLY A 135 5.514 7.832 9.195 1.00 3.33 H new ATOM 2043 N MET A 136 3.356 10.073 8.172 1.00 12.33 N ATOM 2044 CA MET A 136 2.612 10.610 7.014 1.00 2.24 C ATOM 2045 C MET A 136 3.479 11.577 6.190 1.00 65.01 C ATOM 2046 O MET A 136 3.455 11.537 4.962 1.00 32.31 O ATOM 2047 CB MET A 136 1.304 11.305 7.479 1.00 70.10 C ATOM 2048 CG MET A 136 0.456 11.879 6.331 1.00 64.15 C ATOM 2049 SD MET A 136 -0.024 10.630 5.115 1.00 13.02 S ATOM 2050 CE MET A 136 -0.755 11.646 3.830 1.00 64.44 C ATOM 0 H MET A 136 2.953 10.331 9.073 1.00 12.33 H new ATOM 0 HA MET A 136 2.348 9.771 6.370 1.00 2.24 H new ATOM 0 HB2 MET A 136 0.703 10.588 8.037 1.00 70.10 H new ATOM 0 HB3 MET A 136 1.558 12.111 8.167 1.00 70.10 H new ATOM 0 HG2 MET A 136 -0.441 12.339 6.744 1.00 64.15 H new ATOM 0 HG3 MET A 136 1.018 12.668 5.831 1.00 64.15 H new ATOM 0 HE1 MET A 136 -1.753 11.275 3.596 1.00 64.44 H new ATOM 0 HE2 MET A 136 -0.823 12.677 4.176 1.00 64.44 H new ATOM 0 HE3 MET A 136 -0.134 11.604 2.935 1.00 64.44 H new ATOM 2060 N ASN A 137 4.270 12.416 6.886 1.00 41.14 N ATOM 2061 CA ASN A 137 5.174 13.394 6.244 1.00 54.30 C ATOM 2062 C ASN A 137 6.279 12.688 5.439 1.00 52.15 C ATOM 2063 O ASN A 137 6.792 13.241 4.469 1.00 11.11 O ATOM 2064 CB ASN A 137 5.796 14.347 7.300 1.00 70.53 C ATOM 2065 CG ASN A 137 4.764 15.151 8.118 1.00 11.42 C ATOM 2066 OD1 ASN A 137 5.014 15.492 9.278 1.00 21.43 O ATOM 2067 ND2 ASN A 137 3.602 15.469 7.541 1.00 52.14 N ATOM 0 H ASN A 137 4.302 12.436 7.905 1.00 41.14 H new ATOM 0 HA ASN A 137 4.579 13.988 5.550 1.00 54.30 H new ATOM 0 HB2 ASN A 137 6.408 13.761 7.985 1.00 70.53 H new ATOM 0 HB3 ASN A 137 6.464 15.044 6.794 1.00 70.53 H new ATOM 0 HD21 ASN A 137 2.904 16.002 8.060 1.00 52.14 H new ATOM 0 HD22 ASN A 137 3.413 15.179 6.582 1.00 52.14 H new ATOM 2074 N ILE A 138 6.617 11.449 5.850 1.00 55.01 N ATOM 2075 CA ILE A 138 7.612 10.606 5.159 1.00 55.10 C ATOM 2076 C ILE A 138 7.001 10.004 3.881 1.00 15.42 C ATOM 2077 O ILE A 138 7.680 9.890 2.864 1.00 23.32 O ATOM 2078 CB ILE A 138 8.137 9.461 6.102 1.00 34.21 C ATOM 2079 CG1 ILE A 138 8.712 10.056 7.429 1.00 11.45 C ATOM 2080 CG2 ILE A 138 9.180 8.557 5.393 1.00 12.11 C ATOM 2081 CD1 ILE A 138 9.862 11.046 7.257 1.00 41.44 C ATOM 0 H ILE A 138 6.207 11.005 6.671 1.00 55.01 H new ATOM 0 HA ILE A 138 8.459 11.235 4.886 1.00 55.10 H new ATOM 0 HB ILE A 138 7.286 8.828 6.352 1.00 34.21 H new ATOM 0 HG12 ILE A 138 7.904 10.553 7.965 1.00 11.45 H new ATOM 0 HG13 ILE A 138 9.053 9.234 8.058 1.00 11.45 H new ATOM 0 HG21 ILE A 138 9.515 7.780 6.080 1.00 12.11 H new ATOM 0 HG22 ILE A 138 8.725 8.095 4.517 1.00 12.11 H new ATOM 0 HG23 ILE A 138 10.033 9.160 5.083 1.00 12.11 H new ATOM 0 HD11 ILE A 138 10.188 11.399 8.235 1.00 41.44 H new ATOM 0 HD12 ILE A 138 10.694 10.553 6.754 1.00 41.44 H new ATOM 0 HD13 ILE A 138 9.526 11.893 6.659 1.00 41.44 H new ATOM 2093 N VAL A 139 5.708 9.628 3.961 1.00 1.21 N ATOM 2094 CA VAL A 139 4.933 9.123 2.808 1.00 30.22 C ATOM 2095 C VAL A 139 4.828 10.214 1.713 1.00 10.32 C ATOM 2096 O VAL A 139 5.036 9.950 0.521 1.00 32.01 O ATOM 2097 CB VAL A 139 3.496 8.652 3.260 1.00 63.51 C ATOM 2098 CG1 VAL A 139 2.638 8.195 2.064 1.00 4.41 C ATOM 2099 CG2 VAL A 139 3.594 7.528 4.314 1.00 51.50 C ATOM 0 H VAL A 139 5.171 9.666 4.827 1.00 1.21 H new ATOM 0 HA VAL A 139 5.456 8.261 2.393 1.00 30.22 H new ATOM 0 HB VAL A 139 3.001 9.513 3.710 1.00 63.51 H new ATOM 0 HG11 VAL A 139 1.657 7.879 2.419 1.00 4.41 H new ATOM 0 HG12 VAL A 139 2.521 9.022 1.363 1.00 4.41 H new ATOM 0 HG13 VAL A 139 3.128 7.361 1.562 1.00 4.41 H new ATOM 0 HG21 VAL A 139 2.592 7.219 4.611 1.00 51.50 H new ATOM 0 HG22 VAL A 139 4.125 6.676 3.889 1.00 51.50 H new ATOM 0 HG23 VAL A 139 4.134 7.894 5.187 1.00 51.50 H new ATOM 2109 N GLU A 140 4.553 11.445 2.166 1.00 12.15 N ATOM 2110 CA GLU A 140 4.473 12.643 1.312 1.00 4.14 C ATOM 2111 C GLU A 140 5.851 12.974 0.699 1.00 45.33 C ATOM 2112 O GLU A 140 5.952 13.281 -0.493 1.00 3.02 O ATOM 2113 CB GLU A 140 3.948 13.837 2.153 1.00 73.30 C ATOM 2114 CG GLU A 140 2.528 13.637 2.716 1.00 4.13 C ATOM 2115 CD GLU A 140 2.105 14.754 3.680 1.00 31.54 C ATOM 2116 OE1 GLU A 140 1.606 15.803 3.214 1.00 41.30 O ATOM 2117 OE2 GLU A 140 2.275 14.598 4.907 1.00 14.30 O ATOM 0 H GLU A 140 4.377 11.642 3.151 1.00 12.15 H new ATOM 0 HA GLU A 140 3.783 12.450 0.491 1.00 4.14 H new ATOM 0 HB2 GLU A 140 4.634 14.013 2.982 1.00 73.30 H new ATOM 0 HB3 GLU A 140 3.959 14.735 1.535 1.00 73.30 H new ATOM 0 HG2 GLU A 140 1.819 13.589 1.890 1.00 4.13 H new ATOM 0 HG3 GLU A 140 2.480 12.679 3.234 1.00 4.13 H new ATOM 2124 N ALA A 141 6.904 12.864 1.533 1.00 40.24 N ATOM 2125 CA ALA A 141 8.296 13.176 1.140 1.00 20.23 C ATOM 2126 C ALA A 141 8.840 12.171 0.109 1.00 14.34 C ATOM 2127 O ALA A 141 9.539 12.560 -0.840 1.00 42.22 O ATOM 2128 CB ALA A 141 9.202 13.218 2.384 1.00 63.04 C ATOM 0 H ALA A 141 6.815 12.556 2.501 1.00 40.24 H new ATOM 0 HA ALA A 141 8.295 14.158 0.666 1.00 20.23 H new ATOM 0 HB1 ALA A 141 10.224 13.448 2.082 1.00 63.04 H new ATOM 0 HB2 ALA A 141 8.844 13.986 3.069 1.00 63.04 H new ATOM 0 HB3 ALA A 141 9.181 12.249 2.883 1.00 63.04 H new ATOM 2134 N MET A 142 8.496 10.877 0.288 1.00 24.30 N ATOM 2135 CA MET A 142 8.962 9.797 -0.607 1.00 43.43 C ATOM 2136 C MET A 142 8.186 9.824 -1.932 1.00 24.22 C ATOM 2137 O MET A 142 8.715 9.447 -2.984 1.00 64.25 O ATOM 2138 CB MET A 142 8.860 8.391 0.063 1.00 5.32 C ATOM 2139 CG MET A 142 7.446 7.798 0.208 1.00 44.44 C ATOM 2140 SD MET A 142 7.468 6.078 0.753 1.00 44.44 S ATOM 2141 CE MET A 142 5.735 5.742 1.046 1.00 2.31 C ATOM 0 H MET A 142 7.895 10.555 1.047 1.00 24.30 H new ATOM 0 HA MET A 142 10.017 9.979 -0.812 1.00 43.43 H new ATOM 0 HB2 MET A 142 9.465 7.693 -0.516 1.00 5.32 H new ATOM 0 HB3 MET A 142 9.307 8.453 1.055 1.00 5.32 H new ATOM 0 HG2 MET A 142 6.877 8.394 0.922 1.00 44.44 H new ATOM 0 HG3 MET A 142 6.928 7.866 -0.748 1.00 44.44 H new ATOM 0 HE1 MET A 142 5.615 5.278 2.025 1.00 2.31 H new ATOM 0 HE2 MET A 142 5.173 6.676 1.016 1.00 2.31 H new ATOM 0 HE3 MET A 142 5.360 5.068 0.276 1.00 2.31 H new ATOM 2151 N GLU A 143 6.930 10.300 -1.863 1.00 43.41 N ATOM 2152 CA GLU A 143 6.049 10.427 -3.031 1.00 45.31 C ATOM 2153 C GLU A 143 6.583 11.470 -4.038 1.00 74.03 C ATOM 2154 O GLU A 143 6.354 11.359 -5.250 1.00 2.24 O ATOM 2155 CB GLU A 143 4.623 10.802 -2.586 1.00 23.12 C ATOM 2156 CG GLU A 143 3.610 10.855 -3.745 1.00 30.13 C ATOM 2157 CD GLU A 143 2.302 11.544 -3.386 1.00 62.21 C ATOM 2158 OE1 GLU A 143 2.341 12.709 -2.942 1.00 61.24 O ATOM 2159 OE2 GLU A 143 1.240 10.950 -3.555 1.00 24.14 O ATOM 0 H GLU A 143 6.499 10.608 -0.991 1.00 43.41 H new ATOM 0 HA GLU A 143 6.026 9.460 -3.534 1.00 45.31 H new ATOM 0 HB2 GLU A 143 4.280 10.078 -1.847 1.00 23.12 H new ATOM 0 HB3 GLU A 143 4.649 11.773 -2.092 1.00 23.12 H new ATOM 0 HG2 GLU A 143 4.064 11.375 -4.589 1.00 30.13 H new ATOM 0 HG3 GLU A 143 3.396 9.838 -4.075 1.00 30.13 H new ATOM 2166 N ARG A 144 7.328 12.460 -3.517 1.00 14.20 N ATOM 2167 CA ARG A 144 7.964 13.519 -4.330 1.00 71.20 C ATOM 2168 C ARG A 144 9.080 12.955 -5.243 1.00 44.44 C ATOM 2169 O ARG A 144 9.544 13.640 -6.160 1.00 64.34 O ATOM 2170 CB ARG A 144 8.524 14.619 -3.393 1.00 13.23 C ATOM 2171 CG ARG A 144 7.445 15.330 -2.543 1.00 32.41 C ATOM 2172 CD ARG A 144 8.032 16.303 -1.502 1.00 54.32 C ATOM 2173 NE ARG A 144 6.971 16.964 -0.713 1.00 64.22 N ATOM 2174 CZ ARG A 144 7.021 17.234 0.602 1.00 65.24 C ATOM 2175 NH1 ARG A 144 8.087 16.908 1.333 1.00 35.02 N ATOM 2176 NH2 ARG A 144 5.996 17.855 1.179 1.00 72.31 N ATOM 0 H ARG A 144 7.508 12.551 -2.517 1.00 14.20 H new ATOM 0 HA ARG A 144 7.207 13.949 -4.986 1.00 71.20 H new ATOM 0 HB2 ARG A 144 9.262 14.173 -2.726 1.00 13.23 H new ATOM 0 HB3 ARG A 144 9.047 15.363 -3.994 1.00 13.23 H new ATOM 0 HG2 ARG A 144 6.774 15.878 -3.205 1.00 32.41 H new ATOM 0 HG3 ARG A 144 6.844 14.579 -2.030 1.00 32.41 H new ATOM 0 HD2 ARG A 144 8.699 15.760 -0.832 1.00 54.32 H new ATOM 0 HD3 ARG A 144 8.633 17.058 -2.008 1.00 54.32 H new ATOM 0 HE ARG A 144 6.125 17.240 -1.212 1.00 64.22 H new ATOM 0 HH11 ARG A 144 8.884 16.445 0.895 1.00 35.02 H new ATOM 0 HH12 ARG A 144 8.106 17.121 2.330 1.00 35.02 H new ATOM 0 HH21 ARG A 144 5.183 18.121 0.624 1.00 72.31 H new ATOM 0 HH22 ARG A 144 6.023 18.065 2.177 1.00 72.31 H new ATOM 2190 N PHE A 145 9.497 11.702 -4.984 1.00 3.20 N ATOM 2191 CA PHE A 145 10.488 10.989 -5.812 1.00 73.14 C ATOM 2192 C PHE A 145 9.815 10.219 -6.969 1.00 2.42 C ATOM 2193 O PHE A 145 10.505 9.684 -7.837 1.00 42.42 O ATOM 2194 CB PHE A 145 11.314 10.020 -4.935 1.00 31.04 C ATOM 2195 CG PHE A 145 12.138 10.706 -3.845 1.00 62.31 C ATOM 2196 CD1 PHE A 145 13.041 11.718 -4.170 1.00 61.22 C ATOM 2197 CD2 PHE A 145 12.032 10.324 -2.509 1.00 73.54 C ATOM 2198 CE1 PHE A 145 13.808 12.323 -3.195 1.00 73.30 C ATOM 2199 CE2 PHE A 145 12.795 10.933 -1.534 1.00 42.10 C ATOM 2200 CZ PHE A 145 13.684 11.930 -1.877 1.00 53.44 C ATOM 0 H PHE A 145 9.156 11.155 -4.194 1.00 3.20 H new ATOM 0 HA PHE A 145 11.152 11.733 -6.251 1.00 73.14 H new ATOM 0 HB2 PHE A 145 10.637 9.305 -4.467 1.00 31.04 H new ATOM 0 HB3 PHE A 145 11.985 9.450 -5.577 1.00 31.04 H new ATOM 0 HD1 PHE A 145 13.141 12.032 -5.198 1.00 61.22 H new ATOM 0 HD2 PHE A 145 11.343 9.540 -2.233 1.00 73.54 H new ATOM 0 HE1 PHE A 145 14.505 13.103 -3.463 1.00 73.30 H new ATOM 0 HE2 PHE A 145 12.696 10.629 -0.502 1.00 42.10 H new ATOM 0 HZ PHE A 145 14.284 12.404 -1.114 1.00 53.44 H new ATOM 2210 N GLY A 146 8.471 10.152 -6.959 1.00 34.10 N ATOM 2211 CA GLY A 146 7.701 9.541 -8.052 1.00 42.04 C ATOM 2212 C GLY A 146 7.384 10.531 -9.169 1.00 33.10 C ATOM 2213 O GLY A 146 7.628 11.734 -9.017 1.00 13.21 O ATOM 0 H GLY A 146 7.895 10.517 -6.200 1.00 34.10 H new ATOM 0 HA2 GLY A 146 8.263 8.702 -8.463 1.00 42.04 H new ATOM 0 HA3 GLY A 146 6.770 9.137 -7.654 1.00 42.04 H new ATOM 2217 N SER A 147 6.838 10.030 -10.290 1.00 52.11 N ATOM 2218 CA SER A 147 6.561 10.839 -11.497 1.00 60.35 C ATOM 2219 C SER A 147 5.140 10.555 -12.016 1.00 53.43 C ATOM 2220 O SER A 147 4.566 9.516 -11.706 1.00 43.11 O ATOM 2221 CB SER A 147 7.616 10.518 -12.577 1.00 72.25 C ATOM 2222 OG SER A 147 8.926 10.555 -12.037 1.00 30.44 O ATOM 0 H SER A 147 6.574 9.050 -10.388 1.00 52.11 H new ATOM 0 HA SER A 147 6.620 11.898 -11.248 1.00 60.35 H new ATOM 0 HB2 SER A 147 7.421 9.532 -12.999 1.00 72.25 H new ATOM 0 HB3 SER A 147 7.535 11.236 -13.393 1.00 72.25 H new ATOM 0 HG SER A 147 9.132 9.693 -11.618 1.00 30.44 H new ATOM 2228 N ARG A 148 4.608 11.485 -12.825 1.00 53.44 N ATOM 2229 CA ARG A 148 3.228 11.437 -13.367 1.00 71.40 C ATOM 2230 C ARG A 148 2.961 10.205 -14.254 1.00 64.52 C ATOM 2231 O ARG A 148 1.829 9.708 -14.297 1.00 12.04 O ATOM 2232 CB ARG A 148 2.926 12.757 -14.137 1.00 53.21 C ATOM 2233 CG ARG A 148 2.617 13.969 -13.230 1.00 73.04 C ATOM 2234 CD ARG A 148 1.201 13.894 -12.633 1.00 3.44 C ATOM 2235 NE ARG A 148 0.180 14.041 -13.694 1.00 74.43 N ATOM 2236 CZ ARG A 148 -0.846 13.206 -13.941 1.00 1.33 C ATOM 2237 NH1 ARG A 148 -1.041 12.115 -13.207 1.00 70.21 N ATOM 2238 NH2 ARG A 148 -1.681 13.483 -14.932 1.00 44.52 N ATOM 0 H ARG A 148 5.128 12.308 -13.130 1.00 53.44 H new ATOM 0 HA ARG A 148 2.550 11.340 -12.519 1.00 71.40 H new ATOM 0 HB2 ARG A 148 3.782 12.999 -14.767 1.00 53.21 H new ATOM 0 HB3 ARG A 148 2.078 12.590 -14.801 1.00 53.21 H new ATOM 0 HG2 ARG A 148 3.349 14.015 -12.423 1.00 73.04 H new ATOM 0 HG3 ARG A 148 2.720 14.889 -13.806 1.00 73.04 H new ATOM 0 HD2 ARG A 148 1.066 12.941 -12.121 1.00 3.44 H new ATOM 0 HD3 ARG A 148 1.073 14.678 -11.887 1.00 3.44 H new ATOM 0 HE ARG A 148 0.262 14.858 -14.299 1.00 74.43 H new ATOM 0 HH11 ARG A 148 -0.406 11.897 -12.439 1.00 70.21 H new ATOM 0 HH12 ARG A 148 -1.825 11.496 -13.412 1.00 70.21 H new ATOM 0 HH21 ARG A 148 -1.542 14.321 -15.497 1.00 44.52 H new ATOM 0 HH22 ARG A 148 -2.463 12.858 -15.130 1.00 44.52 H new ATOM 2252 N ASN A 149 4.002 9.730 -14.954 1.00 45.32 N ATOM 2253 CA ASN A 149 3.916 8.535 -15.828 1.00 12.43 C ATOM 2254 C ASN A 149 3.894 7.230 -15.001 1.00 13.12 C ATOM 2255 O ASN A 149 3.605 6.155 -15.540 1.00 24.21 O ATOM 2256 CB ASN A 149 5.093 8.514 -16.849 1.00 24.21 C ATOM 2257 CG ASN A 149 6.485 8.348 -16.215 1.00 44.43 C ATOM 2258 OD1 ASN A 149 6.722 8.745 -15.073 1.00 63.33 O ATOM 2259 ND2 ASN A 149 7.423 7.766 -16.951 1.00 22.15 N ATOM 0 H ASN A 149 4.928 10.157 -14.935 1.00 45.32 H new ATOM 0 HA ASN A 149 2.978 8.596 -16.379 1.00 12.43 H new ATOM 0 HB2 ASN A 149 4.930 7.700 -17.555 1.00 24.21 H new ATOM 0 HB3 ASN A 149 5.077 9.441 -17.422 1.00 24.21 H new ATOM 0 HD21 ASN A 149 8.362 7.640 -16.574 1.00 22.15 H new ATOM 0 HD22 ASN A 149 7.205 7.445 -17.894 1.00 22.15 H new ATOM 2266 N GLY A 150 4.225 7.338 -13.699 1.00 72.54 N ATOM 2267 CA GLY A 150 4.232 6.196 -12.779 1.00 11.52 C ATOM 2268 C GLY A 150 5.631 5.819 -12.325 1.00 23.33 C ATOM 2269 O GLY A 150 5.782 5.123 -11.321 1.00 44.23 O ATOM 0 H GLY A 150 4.494 8.220 -13.262 1.00 72.54 H new ATOM 0 HA2 GLY A 150 3.623 6.433 -11.907 1.00 11.52 H new ATOM 0 HA3 GLY A 150 3.769 5.338 -13.267 1.00 11.52 H new ATOM 2273 N LYS A 151 6.659 6.296 -13.055 1.00 53.05 N ATOM 2274 CA LYS A 151 8.060 5.930 -12.795 1.00 2.41 C ATOM 2275 C LYS A 151 8.560 6.533 -11.462 1.00 15.44 C ATOM 2276 O LYS A 151 8.290 7.696 -11.152 1.00 23.23 O ATOM 2277 CB LYS A 151 8.988 6.394 -13.959 1.00 3.42 C ATOM 2278 CG LYS A 151 10.484 6.045 -13.742 1.00 53.50 C ATOM 2279 CD LYS A 151 11.427 6.584 -14.842 1.00 23.14 C ATOM 2280 CE LYS A 151 12.906 6.293 -14.520 1.00 63.54 C ATOM 2281 NZ LYS A 151 13.824 6.769 -15.592 1.00 33.32 N ATOM 0 H LYS A 151 6.540 6.941 -13.836 1.00 53.05 H new ATOM 0 HA LYS A 151 8.099 4.843 -12.724 1.00 2.41 H new ATOM 0 HB2 LYS A 151 8.648 5.935 -14.887 1.00 3.42 H new ATOM 0 HB3 LYS A 151 8.890 7.473 -14.082 1.00 3.42 H new ATOM 0 HG2 LYS A 151 10.802 6.444 -12.779 1.00 53.50 H new ATOM 0 HG3 LYS A 151 10.589 4.961 -13.689 1.00 53.50 H new ATOM 0 HD2 LYS A 151 11.167 6.130 -15.798 1.00 23.14 H new ATOM 0 HD3 LYS A 151 11.283 7.659 -14.950 1.00 23.14 H new ATOM 0 HE2 LYS A 151 13.171 6.773 -13.578 1.00 63.54 H new ATOM 0 HE3 LYS A 151 13.040 5.220 -14.380 1.00 63.54 H new ATOM 0 HZ1 LYS A 151 14.806 6.551 -15.330 1.00 33.32 H new ATOM 0 HZ2 LYS A 151 13.590 6.292 -16.486 1.00 33.32 H new ATOM 0 HZ3 LYS A 151 13.717 7.797 -15.709 1.00 33.32 H new ATOM 2295 N THR A 152 9.289 5.717 -10.693 1.00 73.32 N ATOM 2296 CA THR A 152 10.017 6.155 -9.502 1.00 50.33 C ATOM 2297 C THR A 152 11.456 6.530 -9.900 1.00 75.51 C ATOM 2298 O THR A 152 12.185 5.713 -10.484 1.00 13.25 O ATOM 2299 CB THR A 152 10.027 5.026 -8.424 1.00 32.54 C ATOM 2300 OG1 THR A 152 10.284 3.759 -9.053 1.00 33.15 O ATOM 2301 CG2 THR A 152 8.703 4.955 -7.657 1.00 23.21 C ATOM 0 H THR A 152 9.390 4.720 -10.885 1.00 73.32 H new ATOM 0 HA THR A 152 9.521 7.026 -9.075 1.00 50.33 H new ATOM 0 HB THR A 152 10.816 5.259 -7.709 1.00 32.54 H new ATOM 0 HG1 THR A 152 9.443 3.385 -9.390 1.00 33.15 H new ATOM 0 HG21 THR A 152 8.753 4.156 -6.917 1.00 23.21 H new ATOM 0 HG22 THR A 152 8.523 5.905 -7.154 1.00 23.21 H new ATOM 0 HG23 THR A 152 7.889 4.753 -8.354 1.00 23.21 H new ATOM 2309 N SER A 153 11.826 7.791 -9.623 1.00 20.32 N ATOM 2310 CA SER A 153 13.196 8.296 -9.812 1.00 31.33 C ATOM 2311 C SER A 153 14.153 7.610 -8.816 1.00 33.23 C ATOM 2312 O SER A 153 15.300 7.292 -9.145 1.00 22.04 O ATOM 2313 CB SER A 153 13.210 9.833 -9.622 1.00 22.23 C ATOM 2314 OG SER A 153 14.479 10.394 -9.901 1.00 42.33 O ATOM 0 H SER A 153 11.180 8.492 -9.260 1.00 20.32 H new ATOM 0 HA SER A 153 13.535 8.066 -10.822 1.00 31.33 H new ATOM 0 HB2 SER A 153 12.463 10.285 -10.275 1.00 22.23 H new ATOM 0 HB3 SER A 153 12.925 10.074 -8.598 1.00 22.23 H new ATOM 0 HG SER A 153 14.443 11.365 -9.770 1.00 42.33 H new ATOM 2320 N LYS A 154 13.635 7.358 -7.603 1.00 52.24 N ATOM 2321 CA LYS A 154 14.383 6.745 -6.494 1.00 44.14 C ATOM 2322 C LYS A 154 13.873 5.332 -6.212 1.00 74.32 C ATOM 2323 O LYS A 154 12.682 5.042 -6.397 1.00 63.44 O ATOM 2324 CB LYS A 154 14.239 7.623 -5.227 1.00 73.30 C ATOM 2325 CG LYS A 154 14.995 8.963 -5.294 1.00 10.41 C ATOM 2326 CD LYS A 154 16.518 8.760 -5.344 1.00 41.32 C ATOM 2327 CE LYS A 154 17.313 10.048 -5.123 1.00 20.51 C ATOM 2328 NZ LYS A 154 18.766 9.759 -4.987 1.00 72.12 N ATOM 0 H LYS A 154 12.669 7.578 -7.362 1.00 52.24 H new ATOM 0 HA LYS A 154 15.434 6.678 -6.774 1.00 44.14 H new ATOM 0 HB2 LYS A 154 13.181 7.824 -5.057 1.00 73.30 H new ATOM 0 HB3 LYS A 154 14.598 7.059 -4.366 1.00 73.30 H new ATOM 0 HG2 LYS A 154 14.674 9.518 -6.176 1.00 10.41 H new ATOM 0 HG3 LYS A 154 14.738 9.569 -4.425 1.00 10.41 H new ATOM 0 HD2 LYS A 154 16.804 8.031 -4.586 1.00 41.32 H new ATOM 0 HD3 LYS A 154 16.789 8.337 -6.311 1.00 41.32 H new ATOM 0 HE2 LYS A 154 17.150 10.728 -5.959 1.00 20.51 H new ATOM 0 HE3 LYS A 154 16.953 10.553 -4.226 1.00 20.51 H new ATOM 0 HZ1 LYS A 154 19.218 10.508 -4.425 1.00 72.12 H new ATOM 0 HZ2 LYS A 154 18.895 8.843 -4.511 1.00 72.12 H new ATOM 0 HZ3 LYS A 154 19.203 9.723 -5.930 1.00 72.12 H new ATOM 2342 N LYS A 155 14.785 4.465 -5.738 1.00 30.11 N ATOM 2343 CA LYS A 155 14.456 3.085 -5.384 1.00 24.31 C ATOM 2344 C LYS A 155 14.022 3.040 -3.914 1.00 71.44 C ATOM 2345 O LYS A 155 14.852 2.919 -3.010 1.00 23.43 O ATOM 2346 CB LYS A 155 15.679 2.155 -5.636 1.00 25.34 C ATOM 2347 CG LYS A 155 15.417 0.646 -5.383 1.00 12.45 C ATOM 2348 CD LYS A 155 14.306 0.060 -6.287 1.00 64.12 C ATOM 2349 CE LYS A 155 14.599 0.255 -7.788 1.00 65.21 C ATOM 2350 NZ LYS A 155 13.545 -0.340 -8.650 1.00 23.12 N ATOM 0 H LYS A 155 15.765 4.706 -5.592 1.00 30.11 H new ATOM 0 HA LYS A 155 13.637 2.728 -6.008 1.00 24.31 H new ATOM 0 HB2 LYS A 155 16.008 2.284 -6.667 1.00 25.34 H new ATOM 0 HB3 LYS A 155 16.500 2.478 -4.997 1.00 25.34 H new ATOM 0 HG2 LYS A 155 16.341 0.091 -5.547 1.00 12.45 H new ATOM 0 HG3 LYS A 155 15.140 0.502 -4.339 1.00 12.45 H new ATOM 0 HD2 LYS A 155 14.196 -1.004 -6.077 1.00 64.12 H new ATOM 0 HD3 LYS A 155 13.355 0.534 -6.042 1.00 64.12 H new ATOM 0 HE2 LYS A 155 14.684 1.320 -8.004 1.00 65.21 H new ATOM 0 HE3 LYS A 155 15.561 -0.197 -8.030 1.00 65.21 H new ATOM 0 HZ1 LYS A 155 13.785 -0.184 -9.650 1.00 23.12 H new ATOM 0 HZ2 LYS A 155 13.481 -1.361 -8.465 1.00 23.12 H new ATOM 0 HZ3 LYS A 155 12.630 0.108 -8.440 1.00 23.12 H new ATOM 2364 N ILE A 156 12.714 3.175 -3.689 1.00 32.32 N ATOM 2365 CA ILE A 156 12.135 3.175 -2.342 1.00 72.12 C ATOM 2366 C ILE A 156 11.738 1.738 -1.973 1.00 35.13 C ATOM 2367 O ILE A 156 11.049 1.074 -2.734 1.00 43.40 O ATOM 2368 CB ILE A 156 10.912 4.158 -2.265 1.00 32.11 C ATOM 2369 CG1 ILE A 156 11.369 5.587 -2.714 1.00 72.35 C ATOM 2370 CG2 ILE A 156 10.301 4.181 -0.840 1.00 53.50 C ATOM 2371 CD1 ILE A 156 10.254 6.589 -2.879 1.00 45.54 C ATOM 0 H ILE A 156 12.026 3.287 -4.434 1.00 32.32 H new ATOM 0 HA ILE A 156 12.871 3.530 -1.621 1.00 72.12 H new ATOM 0 HB ILE A 156 10.130 3.809 -2.939 1.00 32.11 H new ATOM 0 HG12 ILE A 156 12.078 5.972 -1.982 1.00 72.35 H new ATOM 0 HG13 ILE A 156 11.903 5.501 -3.660 1.00 72.35 H new ATOM 0 HG21 ILE A 156 9.457 4.870 -0.817 1.00 53.50 H new ATOM 0 HG22 ILE A 156 9.960 3.180 -0.574 1.00 53.50 H new ATOM 0 HG23 ILE A 156 11.056 4.509 -0.126 1.00 53.50 H new ATOM 0 HD11 ILE A 156 10.669 7.547 -3.191 1.00 45.54 H new ATOM 0 HD12 ILE A 156 9.554 6.233 -3.635 1.00 45.54 H new ATOM 0 HD13 ILE A 156 9.732 6.712 -1.930 1.00 45.54 H new ATOM 2383 N THR A 157 12.232 1.257 -0.823 1.00 33.04 N ATOM 2384 CA THR A 157 12.040 -0.131 -0.355 1.00 42.24 C ATOM 2385 C THR A 157 11.642 -0.127 1.125 1.00 13.30 C ATOM 2386 O THR A 157 11.921 0.843 1.846 1.00 43.52 O ATOM 2387 CB THR A 157 13.363 -0.953 -0.528 1.00 60.30 C ATOM 2388 OG1 THR A 157 14.460 -0.201 0.019 1.00 22.41 O ATOM 2389 CG2 THR A 157 13.666 -1.292 -1.997 1.00 12.44 C ATOM 0 H THR A 157 12.784 1.825 -0.181 1.00 33.04 H new ATOM 0 HA THR A 157 11.251 -0.592 -0.949 1.00 42.24 H new ATOM 0 HB THR A 157 13.231 -1.896 0.002 1.00 60.30 H new ATOM 0 HG1 THR A 157 15.290 -0.711 -0.085 1.00 22.41 H new ATOM 0 HG21 THR A 157 14.594 -1.862 -2.055 1.00 12.44 H new ATOM 0 HG22 THR A 157 12.850 -1.885 -2.409 1.00 12.44 H new ATOM 0 HG23 THR A 157 13.770 -0.370 -2.569 1.00 12.44 H new ATOM 2397 N ILE A 158 10.992 -1.215 1.571 1.00 43.33 N ATOM 2398 CA ILE A 158 10.723 -1.451 2.997 1.00 25.11 C ATOM 2399 C ILE A 158 11.995 -2.018 3.669 1.00 71.41 C ATOM 2400 O ILE A 158 12.257 -3.229 3.631 1.00 45.51 O ATOM 2401 CB ILE A 158 9.472 -2.393 3.200 1.00 44.12 C ATOM 2402 CG1 ILE A 158 8.175 -1.673 2.690 1.00 50.34 C ATOM 2403 CG2 ILE A 158 9.327 -2.846 4.674 1.00 11.13 C ATOM 2404 CD1 ILE A 158 6.872 -2.435 2.898 1.00 13.34 C ATOM 0 H ILE A 158 10.641 -1.950 0.957 1.00 43.33 H new ATOM 0 HA ILE A 158 10.472 -0.505 3.476 1.00 25.11 H new ATOM 0 HB ILE A 158 9.624 -3.297 2.610 1.00 44.12 H new ATOM 0 HG12 ILE A 158 8.095 -0.709 3.192 1.00 50.34 H new ATOM 0 HG13 ILE A 158 8.289 -1.469 1.625 1.00 50.34 H new ATOM 0 HG21 ILE A 158 8.455 -3.492 4.772 1.00 11.13 H new ATOM 0 HG22 ILE A 158 10.220 -3.393 4.976 1.00 11.13 H new ATOM 0 HG23 ILE A 158 9.204 -1.972 5.313 1.00 11.13 H new ATOM 0 HD11 ILE A 158 6.041 -1.847 2.510 1.00 13.34 H new ATOM 0 HD12 ILE A 158 6.920 -3.388 2.371 1.00 13.34 H new ATOM 0 HD13 ILE A 158 6.722 -2.616 3.962 1.00 13.34 H new ATOM 2416 N ALA A 159 12.790 -1.100 4.239 1.00 73.11 N ATOM 2417 CA ALA A 159 14.084 -1.394 4.875 1.00 72.35 C ATOM 2418 C ALA A 159 13.972 -2.347 6.073 1.00 25.44 C ATOM 2419 O ALA A 159 14.884 -3.150 6.307 1.00 51.21 O ATOM 2420 CB ALA A 159 14.749 -0.088 5.302 1.00 32.11 C ATOM 0 H ALA A 159 12.546 -0.110 4.272 1.00 73.11 H new ATOM 0 HA ALA A 159 14.695 -1.908 4.133 1.00 72.35 H new ATOM 0 HB1 ALA A 159 15.708 -0.305 5.773 1.00 32.11 H new ATOM 0 HB2 ALA A 159 14.909 0.542 4.427 1.00 32.11 H new ATOM 0 HB3 ALA A 159 14.106 0.433 6.011 1.00 32.11 H new ATOM 2426 N ASP A 160 12.868 -2.251 6.826 1.00 20.21 N ATOM 2427 CA ASP A 160 12.639 -3.098 8.012 1.00 70.44 C ATOM 2428 C ASP A 160 11.140 -3.130 8.367 1.00 53.12 C ATOM 2429 O ASP A 160 10.363 -2.307 7.883 1.00 2.54 O ATOM 2430 CB ASP A 160 13.524 -2.600 9.201 1.00 33.50 C ATOM 2431 CG ASP A 160 13.541 -3.518 10.438 1.00 63.33 C ATOM 2432 OD1 ASP A 160 13.539 -4.760 10.268 1.00 60.24 O ATOM 2433 OD2 ASP A 160 13.572 -3.006 11.581 1.00 21.51 O ATOM 0 H ASP A 160 12.113 -1.592 6.636 1.00 20.21 H new ATOM 0 HA ASP A 160 12.935 -4.124 7.792 1.00 70.44 H new ATOM 0 HB2 ASP A 160 14.547 -2.479 8.845 1.00 33.50 H new ATOM 0 HB3 ASP A 160 13.173 -1.614 9.505 1.00 33.50 H new ATOM 2438 N CYS A 161 10.761 -4.127 9.180 1.00 31.41 N ATOM 2439 CA CYS A 161 9.380 -4.388 9.623 1.00 23.52 C ATOM 2440 C CYS A 161 9.363 -4.494 11.156 1.00 43.04 C ATOM 2441 O CYS A 161 10.337 -4.105 11.807 1.00 3.15 O ATOM 2442 CB CYS A 161 8.861 -5.680 8.958 1.00 13.44 C ATOM 2443 SG CYS A 161 9.827 -7.147 9.370 1.00 73.44 S ATOM 0 H CYS A 161 11.429 -4.797 9.561 1.00 31.41 H new ATOM 0 HA CYS A 161 8.721 -3.573 9.326 1.00 23.52 H new ATOM 0 HB2 CYS A 161 7.826 -5.842 9.258 1.00 13.44 H new ATOM 0 HB3 CYS A 161 8.862 -5.547 7.876 1.00 13.44 H new ATOM 0 HG CYS A 161 9.319 -8.183 8.771 1.00 73.44 H new ATOM 2449 N GLY A 162 8.256 -5.001 11.742 1.00 12.13 N ATOM 2450 CA GLY A 162 8.132 -5.081 13.203 1.00 75.30 C ATOM 2451 C GLY A 162 6.788 -4.595 13.708 1.00 15.03 C ATOM 2452 O GLY A 162 6.736 -3.688 14.542 1.00 55.33 O ATOM 0 H GLY A 162 7.449 -5.355 11.229 1.00 12.13 H new ATOM 0 HA2 GLY A 162 8.282 -6.113 13.519 1.00 75.30 H new ATOM 0 HA3 GLY A 162 8.923 -4.489 13.663 1.00 75.30 H new ATOM 2456 N GLN A 163 5.704 -5.191 13.156 1.00 51.41 N ATOM 2457 CA GLN A 163 4.300 -4.891 13.526 1.00 12.41 C ATOM 2458 C GLN A 163 4.111 -4.848 15.065 1.00 52.10 C ATOM 2459 O GLN A 163 4.160 -5.880 15.748 1.00 11.14 O ATOM 2460 CB GLN A 163 3.344 -5.957 12.911 1.00 4.14 C ATOM 2461 CG GLN A 163 1.843 -5.735 13.230 1.00 21.13 C ATOM 2462 CD GLN A 163 0.911 -6.852 12.756 1.00 44.53 C ATOM 2463 OE1 GLN A 163 -0.231 -6.598 12.371 1.00 0.31 O ATOM 2464 NE2 GLN A 163 1.360 -8.100 12.834 1.00 12.31 N ATOM 0 H GLN A 163 5.782 -5.904 12.431 1.00 51.41 H new ATOM 0 HA GLN A 163 4.057 -3.906 13.127 1.00 12.41 H new ATOM 0 HB2 GLN A 163 3.475 -5.963 11.829 1.00 4.14 H new ATOM 0 HB3 GLN A 163 3.638 -6.942 13.273 1.00 4.14 H new ATOM 0 HG2 GLN A 163 1.729 -5.620 14.308 1.00 21.13 H new ATOM 0 HG3 GLN A 163 1.524 -4.798 12.774 1.00 21.13 H new ATOM 0 HE21 GLN A 163 2.311 -8.281 13.156 1.00 12.31 H new ATOM 0 HE22 GLN A 163 0.754 -8.877 12.571 1.00 12.31 H new ATOM 2473 N LEU A 164 3.949 -3.621 15.573 1.00 70.34 N ATOM 2474 CA LEU A 164 3.809 -3.337 17.002 1.00 32.42 C ATOM 2475 C LEU A 164 2.420 -3.769 17.515 1.00 55.13 C ATOM 2476 O LEU A 164 1.396 -3.199 17.115 1.00 44.35 O ATOM 2477 CB LEU A 164 4.027 -1.824 17.257 1.00 52.13 C ATOM 2478 CG LEU A 164 5.401 -1.244 16.803 1.00 54.33 C ATOM 2479 CD1 LEU A 164 5.469 0.279 17.037 1.00 64.32 C ATOM 2480 CD2 LEU A 164 6.573 -1.973 17.495 1.00 72.53 C ATOM 0 H LEU A 164 3.911 -2.784 14.991 1.00 70.34 H new ATOM 0 HA LEU A 164 4.563 -3.907 17.546 1.00 32.42 H new ATOM 0 HB2 LEU A 164 3.237 -1.273 16.748 1.00 52.13 H new ATOM 0 HB3 LEU A 164 3.911 -1.635 18.324 1.00 52.13 H new ATOM 0 HG LEU A 164 5.495 -1.416 15.731 1.00 54.33 H new ATOM 0 HD11 LEU A 164 6.439 0.654 16.711 1.00 64.32 H new ATOM 0 HD12 LEU A 164 4.680 0.770 16.468 1.00 64.32 H new ATOM 0 HD13 LEU A 164 5.336 0.490 18.098 1.00 64.32 H new ATOM 0 HD21 LEU A 164 7.517 -1.546 17.158 1.00 72.53 H new ATOM 0 HD22 LEU A 164 6.487 -1.856 18.575 1.00 72.53 H new ATOM 0 HD23 LEU A 164 6.543 -3.033 17.241 1.00 72.53 H new ATOM 2540 N PRO B 218 -2.229 -3.310 -12.673 1.00 44.45 N ATOM 2541 CA PRO B 218 -2.730 -3.595 -11.298 1.00 63.41 C ATOM 2542 C PRO B 218 -2.569 -2.378 -10.363 1.00 14.41 C ATOM 2543 O PRO B 218 -1.483 -2.122 -9.823 1.00 1.25 O ATOM 2544 CB PRO B 218 -1.871 -4.808 -10.838 1.00 73.55 C ATOM 2545 CG PRO B 218 -1.474 -5.489 -12.116 1.00 4.32 C ATOM 2546 CD PRO B 218 -1.269 -4.369 -13.123 1.00 5.34 C ATOM 0 HA PRO B 218 -3.798 -3.810 -11.276 1.00 63.41 H new ATOM 0 HB2 PRO B 218 -0.997 -4.485 -10.272 1.00 73.55 H new ATOM 0 HB3 PRO B 218 -2.440 -5.476 -10.192 1.00 73.55 H new ATOM 0 HG2 PRO B 218 -0.562 -6.071 -11.984 1.00 4.32 H new ATOM 0 HG3 PRO B 218 -2.248 -6.181 -12.450 1.00 4.32 H new ATOM 0 HD2 PRO B 218 -0.241 -4.007 -13.116 1.00 5.34 H new ATOM 0 HD3 PRO B 218 -1.484 -4.699 -14.139 1.00 5.34 H new ATOM 2554 N GLY B 219 -3.655 -1.597 -10.258 1.00 34.44 N ATOM 2555 CA GLY B 219 -3.666 -0.338 -9.524 1.00 60.14 C ATOM 2556 C GLY B 219 -4.720 0.630 -10.062 1.00 53.14 C ATOM 2557 O GLY B 219 -5.348 0.350 -11.085 1.00 2.21 O ATOM 0 H GLY B 219 -4.552 -1.829 -10.685 1.00 34.44 H new ATOM 0 HA2 GLY B 219 -3.859 -0.535 -8.470 1.00 60.14 H new ATOM 0 HA3 GLY B 219 -2.682 0.126 -9.586 1.00 60.14 H new ATOM 2561 N PRO B 220 -4.954 1.781 -9.369 1.00 74.45 N ATOM 2562 CA PRO B 220 -5.948 2.801 -9.796 1.00 24.31 C ATOM 2563 C PRO B 220 -5.397 3.844 -10.800 1.00 61.32 C ATOM 2564 O PRO B 220 -4.182 3.978 -10.964 1.00 73.54 O ATOM 2565 CB PRO B 220 -6.287 3.464 -8.457 1.00 33.44 C ATOM 2566 CG PRO B 220 -4.997 3.447 -7.694 1.00 34.42 C ATOM 2567 CD PRO B 220 -4.292 2.166 -8.089 1.00 13.33 C ATOM 0 HA PRO B 220 -6.789 2.361 -10.333 1.00 24.31 H new ATOM 0 HB2 PRO B 220 -6.651 4.482 -8.599 1.00 33.44 H new ATOM 0 HB3 PRO B 220 -7.068 2.917 -7.929 1.00 33.44 H new ATOM 0 HG2 PRO B 220 -4.389 4.318 -7.938 1.00 34.42 H new ATOM 0 HG3 PRO B 220 -5.179 3.476 -6.620 1.00 34.42 H new ATOM 0 HD2 PRO B 220 -3.222 2.322 -8.223 1.00 13.33 H new ATOM 0 HD3 PRO B 220 -4.409 1.393 -7.329 1.00 13.33 H new ATOM 2575 N TYR B 221 -6.311 4.594 -11.445 1.00 4.04 N ATOM 2576 CA TYR B 221 -5.948 5.698 -12.353 1.00 3.43 C ATOM 2577 C TYR B 221 -5.574 6.959 -11.551 1.00 32.13 C ATOM 2578 O TYR B 221 -6.207 7.272 -10.538 1.00 43.31 O ATOM 2579 CB TYR B 221 -7.098 6.012 -13.355 1.00 44.14 C ATOM 2580 CG TYR B 221 -6.741 7.128 -14.358 1.00 21.53 C ATOM 2581 CD1 TYR B 221 -5.682 6.965 -15.256 1.00 24.34 C ATOM 2582 CD2 TYR B 221 -7.422 8.353 -14.380 1.00 3.51 C ATOM 2583 CE1 TYR B 221 -5.312 7.972 -16.122 1.00 20.10 C ATOM 2584 CE2 TYR B 221 -7.057 9.362 -15.257 1.00 33.43 C ATOM 2585 CZ TYR B 221 -6.002 9.164 -16.123 1.00 12.34 C ATOM 2586 OH TYR B 221 -5.617 10.170 -16.983 1.00 22.14 O ATOM 0 H TYR B 221 -7.317 4.452 -11.352 1.00 4.04 H new ATOM 0 HA TYR B 221 -5.080 5.380 -12.930 1.00 3.43 H new ATOM 0 HB2 TYR B 221 -7.350 5.105 -13.905 1.00 44.14 H new ATOM 0 HB3 TYR B 221 -7.988 6.304 -12.797 1.00 44.14 H new ATOM 0 HD1 TYR B 221 -5.142 6.030 -15.272 1.00 24.34 H new ATOM 0 HD2 TYR B 221 -8.246 8.513 -13.701 1.00 3.51 H new ATOM 0 HE1 TYR B 221 -4.483 7.826 -16.798 1.00 20.10 H new ATOM 0 HE2 TYR B 221 -7.596 10.298 -15.262 1.00 33.43 H new ATOM 0 HH TYR B 221 -6.204 10.946 -16.863 1.00 22.14 H new