USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=42 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 102 ASN : amide:sc= -0.801 K(o=-5,f=-7.6) USER MOD Set 1.2: A 126 HIS : no HE2:sc= -4.17! C(o=-5!,f=-6.9!) USER MOD Set 2.1: A 92 HIS : no HD1:sc= 0.00383 K(o=-0.064,f=-1.4) USER MOD Set 2.2: A 115 CYS SG : rot 162:sc= -0.528 USER MOD Set 2.3: A 119 THR OG1 : rot -146:sc= 0.46 USER MOD Set 3.1: A 54 HIS : no HD1:sc= -0.343 K(o=-1.4,f=-3.7!) USER MOD Set 3.2: A 61 MET CE :methyl -142:sc= -0.343 (180deg=-1.8) USER MOD Set 3.3: A 63 GLN : amide:sc= -0.605 K(o=-1.4,f=-11!) USER MOD Set 3.4: A 111 GLN : amide:sc= -0.147 K(o=-1.4,f=-11) USER MOD Set 4.1: A 35 ASN : amide:sc= -0.561 K(o=-1.1,f=-8.6!) USER MOD Set 4.2: A 100 MET CE :methyl -153:sc= -0.555 (180deg=0) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -122:sc= 0.308 (180deg=-0.0644) USER MOD Set 5.2: A 79 TYR OH : rot 150:sc= -0.19 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0397 F(o=-1.9,f=-0.04) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 37:sc= -0.107 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0.255 (180deg=0.119) USER MOD Single : A 32 THR OG1 : rot -130:sc= 0 USER MOD Single : A 40 SER OG : rot 116:sc= 1.07 USER MOD Single : A 41 THR OG1 : rot -77:sc= -0.535 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.185 (180deg=-0.443) USER MOD Single : A 48 TYR OH : rot 27:sc= -0.179 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.15) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 114:sc= -2.74! USER MOD Single : A 62 CYS SG : rot 160:sc= -3.17! USER MOD Single : A 68 THR OG1 : rot 92:sc= 0.291 USER MOD Single : A 70 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-1.2) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -160:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= -0.686 (180deg=-2.32!) USER MOD Single : A 77 SER OG : rot 0:sc= -0.0231 USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= 0.941 (180deg=0.363) USER MOD Single : A 87 ASN : amide:sc= -1.99! C(o=-2!,f=-8.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -30:sc= 0.488 USER MOD Single : A 99 SER OG : rot 40:sc= 0.389 USER MOD Single : A 106 ASN : amide:sc= -0.0359 K(o=-0.036,f=-0.85) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.511 K(o=-0.51,f=-3.1) USER MOD Single : A 110 SER OG : rot 38:sc= 0.0645 USER MOD Single : A 116 THR OG1 : rot -140:sc= 0.306 USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= -0.106 (180deg=-0.35) USER MOD Single : A 125 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0.95) USER MOD Single : A 131 LYS NZ :NH3+ 151:sc= 0.451 (180deg=0.145) USER MOD Single : A 133 LYS NZ :NH3+ -99:sc= -0.417 (180deg=-1.84!) USER MOD Single : A 136 MET CE :methyl -138:sc= -0.153 (180deg=-1.67!) USER MOD Single : A 137 ASN : amide:sc= -0.171 K(o=-0.17,f=-3!) USER MOD Single : A 142 MET CE :methyl -115:sc=-0.00678 (180deg=-2.92!) USER MOD Single : A 147 SER OG : rot 81:sc= 0.471 USER MOD Single : A 149 ASN : amide:sc= -0.121 K(o=-0.12,f=-7.4!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 42:sc= 0.0768 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.96 K(o=-2,f=-7!) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 3 -6.970 -1.955 16.789 1.00 34.43 N ATOM 37 CA ASN A 3 -6.590 -2.150 15.385 1.00 53.55 C ATOM 38 C ASN A 3 -5.075 -2.461 15.283 1.00 45.32 C ATOM 39 O ASN A 3 -4.256 -1.616 15.685 1.00 12.21 O ATOM 40 CB ASN A 3 -6.947 -0.877 14.576 1.00 30.34 C ATOM 41 CG ASN A 3 -8.330 -0.314 14.913 1.00 61.20 C ATOM 42 OD1 ASN A 3 -9.365 -0.834 14.295 1.00 40.31 O flip ATOM 43 ND2 ASN A 3 -8.466 0.557 15.772 1.00 71.55 N flip ATOM 0 HA ASN A 3 -7.138 -2.996 14.971 1.00 53.55 H new ATOM 0 HB2 ASN A 3 -6.195 -0.111 14.766 1.00 30.34 H new ATOM 0 HB3 ASN A 3 -6.906 -1.108 13.512 1.00 30.34 H new ATOM 0 HD21 ASN A 3 -7.646 0.946 16.238 1.00 71.55 H new ATOM 0 HD22 ASN A 3 -9.398 0.890 16.018 1.00 71.55 H new ATOM 50 N PRO A 4 -4.670 -3.671 14.763 1.00 34.43 N ATOM 51 CA PRO A 4 -3.239 -4.054 14.624 1.00 34.21 C ATOM 52 C PRO A 4 -2.485 -3.097 13.681 1.00 42.33 C ATOM 53 O PRO A 4 -2.861 -2.935 12.524 1.00 33.43 O ATOM 54 CB PRO A 4 -3.296 -5.494 14.037 1.00 62.31 C ATOM 55 CG PRO A 4 -4.649 -5.596 13.404 1.00 14.22 C ATOM 56 CD PRO A 4 -5.560 -4.762 14.278 1.00 14.15 C ATOM 0 HA PRO A 4 -2.701 -4.005 15.571 1.00 34.21 H new ATOM 0 HB2 PRO A 4 -2.504 -5.655 13.306 1.00 62.31 H new ATOM 0 HB3 PRO A 4 -3.167 -6.244 14.817 1.00 62.31 H new ATOM 0 HG2 PRO A 4 -4.634 -5.221 12.380 1.00 14.22 H new ATOM 0 HG3 PRO A 4 -4.986 -6.632 13.360 1.00 14.22 H new ATOM 0 HD2 PRO A 4 -6.407 -4.369 13.716 1.00 14.15 H new ATOM 0 HD3 PRO A 4 -5.968 -5.345 15.104 1.00 14.15 H new ATOM 64 N THR A 5 -1.432 -2.462 14.191 1.00 31.25 N ATOM 65 CA THR A 5 -0.648 -1.493 13.429 1.00 44.13 C ATOM 66 C THR A 5 0.611 -2.164 12.859 1.00 11.22 C ATOM 67 O THR A 5 1.315 -2.867 13.583 1.00 65.40 O ATOM 68 CB THR A 5 -0.269 -0.282 14.336 1.00 71.42 C ATOM 69 OG1 THR A 5 -1.473 0.348 14.820 1.00 23.23 O ATOM 70 CG2 THR A 5 0.587 0.756 13.592 1.00 14.34 C ATOM 0 H THR A 5 -1.098 -2.605 15.144 1.00 31.25 H new ATOM 0 HA THR A 5 -1.246 -1.125 12.596 1.00 44.13 H new ATOM 0 HB THR A 5 0.324 -0.664 15.167 1.00 71.42 H new ATOM 0 HG1 THR A 5 -1.237 1.108 15.392 1.00 23.23 H new ATOM 0 HG21 THR A 5 0.826 1.580 14.264 1.00 14.34 H new ATOM 0 HG22 THR A 5 1.510 0.288 13.249 1.00 14.34 H new ATOM 0 HG23 THR A 5 0.033 1.137 12.734 1.00 14.34 H new ATOM 78 N VAL A 6 0.879 -1.948 11.554 1.00 31.35 N ATOM 79 CA VAL A 6 2.090 -2.439 10.882 1.00 15.21 C ATOM 80 C VAL A 6 3.110 -1.300 10.739 1.00 14.30 C ATOM 81 O VAL A 6 2.792 -0.209 10.270 1.00 72.24 O ATOM 82 CB VAL A 6 1.794 -3.112 9.490 1.00 31.44 C ATOM 83 CG1 VAL A 6 1.094 -4.482 9.673 1.00 31.51 C ATOM 84 CG2 VAL A 6 0.966 -2.181 8.583 1.00 33.30 C ATOM 0 H VAL A 6 0.256 -1.425 10.939 1.00 31.35 H new ATOM 0 HA VAL A 6 2.511 -3.223 11.511 1.00 15.21 H new ATOM 0 HB VAL A 6 2.750 -3.288 8.996 1.00 31.44 H new ATOM 0 HG11 VAL A 6 0.901 -4.925 8.696 1.00 31.51 H new ATOM 0 HG12 VAL A 6 1.737 -5.145 10.252 1.00 31.51 H new ATOM 0 HG13 VAL A 6 0.150 -4.341 10.200 1.00 31.51 H new ATOM 0 HG21 VAL A 6 0.778 -2.675 7.629 1.00 33.30 H new ATOM 0 HG22 VAL A 6 0.016 -1.952 9.066 1.00 33.30 H new ATOM 0 HG23 VAL A 6 1.517 -1.256 8.411 1.00 33.30 H new ATOM 94 N PHE A 7 4.342 -1.580 11.163 1.00 65.42 N ATOM 95 CA PHE A 7 5.407 -0.581 11.298 1.00 44.54 C ATOM 96 C PHE A 7 6.578 -0.954 10.398 1.00 3.31 C ATOM 97 O PHE A 7 6.996 -2.119 10.383 1.00 1.23 O ATOM 98 CB PHE A 7 5.864 -0.517 12.769 1.00 3.42 C ATOM 99 CG PHE A 7 6.804 0.641 13.092 1.00 62.13 C ATOM 100 CD1 PHE A 7 6.375 1.951 12.925 1.00 33.32 C ATOM 101 CD2 PHE A 7 8.090 0.426 13.578 1.00 72.04 C ATOM 102 CE1 PHE A 7 7.192 3.015 13.240 1.00 70.11 C ATOM 103 CE2 PHE A 7 8.913 1.491 13.891 1.00 14.53 C ATOM 104 CZ PHE A 7 8.462 2.783 13.721 1.00 52.23 C ATOM 0 H PHE A 7 4.635 -2.521 11.427 1.00 65.42 H new ATOM 0 HA PHE A 7 5.032 0.398 10.998 1.00 44.54 H new ATOM 0 HB2 PHE A 7 4.983 -0.441 13.407 1.00 3.42 H new ATOM 0 HB3 PHE A 7 6.361 -1.453 13.022 1.00 3.42 H new ATOM 0 HD1 PHE A 7 5.383 2.139 12.541 1.00 33.32 H new ATOM 0 HD2 PHE A 7 8.449 -0.584 13.712 1.00 72.04 H new ATOM 0 HE1 PHE A 7 6.838 4.027 13.110 1.00 70.11 H new ATOM 0 HE2 PHE A 7 9.909 1.312 14.269 1.00 14.53 H new ATOM 0 HZ PHE A 7 9.106 3.615 13.965 1.00 52.23 H new ATOM 114 N PHE A 8 7.105 0.038 9.663 1.00 71.35 N ATOM 115 CA PHE A 8 8.161 -0.174 8.663 1.00 54.44 C ATOM 116 C PHE A 8 9.200 0.949 8.699 1.00 31.14 C ATOM 117 O PHE A 8 8.950 2.041 9.213 1.00 14.14 O ATOM 118 CB PHE A 8 7.565 -0.236 7.227 1.00 53.33 C ATOM 119 CG PHE A 8 6.473 -1.280 7.038 1.00 53.02 C ATOM 120 CD1 PHE A 8 6.773 -2.640 7.027 1.00 62.12 C ATOM 121 CD2 PHE A 8 5.151 -0.899 6.856 1.00 42.41 C ATOM 122 CE1 PHE A 8 5.786 -3.580 6.846 1.00 31.54 C ATOM 123 CE2 PHE A 8 4.158 -1.839 6.677 1.00 62.10 C ATOM 124 CZ PHE A 8 4.478 -3.181 6.665 1.00 10.41 C ATOM 0 H PHE A 8 6.810 1.011 9.746 1.00 71.35 H new ATOM 0 HA PHE A 8 8.639 -1.122 8.911 1.00 54.44 H new ATOM 0 HB2 PHE A 8 7.160 0.744 6.973 1.00 53.33 H new ATOM 0 HB3 PHE A 8 8.371 -0.440 6.522 1.00 53.33 H new ATOM 0 HD1 PHE A 8 7.795 -2.961 7.163 1.00 62.12 H new ATOM 0 HD2 PHE A 8 4.896 0.150 6.855 1.00 42.41 H new ATOM 0 HE1 PHE A 8 6.035 -4.631 6.846 1.00 31.54 H new ATOM 0 HE2 PHE A 8 3.133 -1.526 6.547 1.00 62.10 H new ATOM 0 HZ PHE A 8 3.704 -3.919 6.514 1.00 10.41 H new ATOM 134 N ASP A 9 10.358 0.635 8.119 1.00 31.14 N ATOM 135 CA ASP A 9 11.403 1.603 7.757 1.00 4.12 C ATOM 136 C ASP A 9 11.310 1.841 6.247 1.00 13.32 C ATOM 137 O ASP A 9 11.615 0.943 5.460 1.00 24.23 O ATOM 138 CB ASP A 9 12.815 1.064 8.140 1.00 65.45 C ATOM 139 CG ASP A 9 13.125 1.179 9.640 1.00 23.34 C ATOM 140 OD1 ASP A 9 13.490 2.282 10.086 1.00 14.40 O ATOM 141 OD2 ASP A 9 12.978 0.186 10.386 1.00 5.32 O ATOM 0 H ASP A 9 10.606 -0.325 7.880 1.00 31.14 H new ATOM 0 HA ASP A 9 11.256 2.536 8.300 1.00 4.12 H new ATOM 0 HB2 ASP A 9 12.891 0.019 7.840 1.00 65.45 H new ATOM 0 HB3 ASP A 9 13.570 1.613 7.577 1.00 65.45 H new ATOM 146 N ILE A 10 10.829 3.024 5.849 1.00 71.45 N ATOM 147 CA ILE A 10 10.780 3.421 4.436 1.00 12.42 C ATOM 148 C ILE A 10 12.160 3.954 4.022 1.00 32.11 C ATOM 149 O ILE A 10 12.647 4.929 4.601 1.00 73.21 O ATOM 150 CB ILE A 10 9.665 4.497 4.179 1.00 33.44 C ATOM 151 CG1 ILE A 10 8.258 3.944 4.582 1.00 21.44 C ATOM 152 CG2 ILE A 10 9.676 4.975 2.705 1.00 11.44 C ATOM 153 CD1 ILE A 10 7.804 2.692 3.831 1.00 40.13 C ATOM 0 H ILE A 10 10.465 3.729 6.491 1.00 71.45 H new ATOM 0 HA ILE A 10 10.526 2.550 3.831 1.00 12.42 H new ATOM 0 HB ILE A 10 9.881 5.362 4.807 1.00 33.44 H new ATOM 0 HG12 ILE A 10 8.265 3.724 5.649 1.00 21.44 H new ATOM 0 HG13 ILE A 10 7.519 4.730 4.424 1.00 21.44 H new ATOM 0 HG21 ILE A 10 8.893 5.719 2.558 1.00 11.44 H new ATOM 0 HG22 ILE A 10 10.645 5.417 2.473 1.00 11.44 H new ATOM 0 HG23 ILE A 10 9.497 4.126 2.046 1.00 11.44 H new ATOM 0 HD11 ILE A 10 6.818 2.392 4.186 1.00 40.13 H new ATOM 0 HD12 ILE A 10 7.756 2.906 2.763 1.00 40.13 H new ATOM 0 HD13 ILE A 10 8.514 1.884 4.008 1.00 40.13 H new ATOM 165 N ALA A 11 12.770 3.304 3.024 1.00 35.40 N ATOM 166 CA ALA A 11 14.139 3.588 2.592 1.00 14.44 C ATOM 167 C ALA A 11 14.163 4.084 1.151 1.00 65.55 C ATOM 168 O ALA A 11 13.695 3.394 0.247 1.00 12.32 O ATOM 169 CB ALA A 11 14.993 2.330 2.732 1.00 4.32 C ATOM 0 H ALA A 11 12.321 2.560 2.490 1.00 35.40 H new ATOM 0 HA ALA A 11 14.548 4.374 3.226 1.00 14.44 H new ATOM 0 HB1 ALA A 11 16.012 2.544 2.410 1.00 4.32 H new ATOM 0 HB2 ALA A 11 15.002 2.010 3.774 1.00 4.32 H new ATOM 0 HB3 ALA A 11 14.576 1.536 2.112 1.00 4.32 H new ATOM 175 N VAL A 12 14.708 5.285 0.957 1.00 14.31 N ATOM 176 CA VAL A 12 14.949 5.874 -0.362 1.00 72.24 C ATOM 177 C VAL A 12 16.425 5.634 -0.738 1.00 3.23 C ATOM 178 O VAL A 12 17.334 6.074 -0.024 1.00 51.24 O ATOM 179 CB VAL A 12 14.574 7.404 -0.346 1.00 64.42 C ATOM 180 CG1 VAL A 12 14.983 8.126 -1.647 1.00 11.11 C ATOM 181 CG2 VAL A 12 13.056 7.572 -0.075 1.00 72.34 C ATOM 0 H VAL A 12 15.000 5.888 1.726 1.00 14.31 H new ATOM 0 HA VAL A 12 14.320 5.405 -1.119 1.00 72.24 H new ATOM 0 HB VAL A 12 15.139 7.873 0.460 1.00 64.42 H new ATOM 0 HG11 VAL A 12 14.702 9.177 -1.584 1.00 11.11 H new ATOM 0 HG12 VAL A 12 16.061 8.046 -1.784 1.00 11.11 H new ATOM 0 HG13 VAL A 12 14.475 7.665 -2.494 1.00 11.11 H new ATOM 0 HG21 VAL A 12 12.803 8.632 -0.065 1.00 72.34 H new ATOM 0 HG22 VAL A 12 12.489 7.071 -0.859 1.00 72.34 H new ATOM 0 HG23 VAL A 12 12.808 7.131 0.890 1.00 72.34 H new ATOM 191 N ASP A 13 16.618 4.884 -1.844 1.00 71.11 N ATOM 192 CA ASP A 13 17.934 4.417 -2.353 1.00 40.53 C ATOM 193 C ASP A 13 18.631 3.501 -1.336 1.00 13.41 C ATOM 194 O ASP A 13 19.863 3.453 -1.267 1.00 4.05 O ATOM 195 CB ASP A 13 18.834 5.611 -2.772 1.00 61.41 C ATOM 196 CG ASP A 13 18.116 6.537 -3.753 1.00 1.34 C ATOM 197 OD1 ASP A 13 17.732 6.076 -4.848 1.00 24.15 O ATOM 198 OD2 ASP A 13 17.909 7.717 -3.425 1.00 72.25 O ATOM 0 H ASP A 13 15.841 4.575 -2.428 1.00 71.11 H new ATOM 0 HA ASP A 13 17.754 3.823 -3.249 1.00 40.53 H new ATOM 0 HB2 ASP A 13 19.128 6.175 -1.887 1.00 61.41 H new ATOM 0 HB3 ASP A 13 19.750 5.235 -3.229 1.00 61.41 H new ATOM 203 N GLY A 14 17.808 2.761 -0.560 1.00 43.33 N ATOM 204 CA GLY A 14 18.303 1.877 0.495 1.00 33.04 C ATOM 205 C GLY A 14 18.488 2.584 1.833 1.00 40.52 C ATOM 206 O GLY A 14 18.588 1.921 2.867 1.00 23.43 O ATOM 0 H GLY A 14 16.792 2.766 -0.653 1.00 43.33 H new ATOM 0 HA2 GLY A 14 17.606 1.048 0.622 1.00 33.04 H new ATOM 0 HA3 GLY A 14 19.255 1.448 0.183 1.00 33.04 H new ATOM 210 N GLU A 15 18.505 3.932 1.822 1.00 4.55 N ATOM 211 CA GLU A 15 18.736 4.745 3.030 1.00 73.15 C ATOM 212 C GLU A 15 17.398 5.080 3.720 1.00 62.25 C ATOM 213 O GLU A 15 16.574 5.773 3.110 1.00 45.31 O ATOM 214 CB GLU A 15 19.490 6.050 2.648 1.00 53.11 C ATOM 215 CG GLU A 15 20.831 5.813 1.921 1.00 45.34 C ATOM 216 CD GLU A 15 21.802 4.923 2.724 1.00 4.22 C ATOM 217 OE1 GLU A 15 22.451 5.431 3.662 1.00 71.25 O ATOM 218 OE2 GLU A 15 21.906 3.711 2.435 1.00 42.13 O ATOM 0 H GLU A 15 18.359 4.485 0.977 1.00 4.55 H new ATOM 0 HA GLU A 15 19.346 4.173 3.729 1.00 73.15 H new ATOM 0 HB2 GLU A 15 18.846 6.656 2.011 1.00 53.11 H new ATOM 0 HB3 GLU A 15 19.677 6.627 3.553 1.00 53.11 H new ATOM 0 HG2 GLU A 15 20.637 5.349 0.954 1.00 45.34 H new ATOM 0 HG3 GLU A 15 21.306 6.774 1.724 1.00 45.34 H new ATOM 225 N PRO A 16 17.148 4.585 4.991 1.00 42.23 N ATOM 226 CA PRO A 16 15.905 4.879 5.749 1.00 65.43 C ATOM 227 C PRO A 16 15.640 6.397 5.855 1.00 63.42 C ATOM 228 O PRO A 16 16.320 7.120 6.591 1.00 51.50 O ATOM 229 CB PRO A 16 16.143 4.220 7.147 1.00 31.45 C ATOM 230 CG PRO A 16 17.621 3.968 7.207 1.00 72.43 C ATOM 231 CD PRO A 16 18.043 3.696 5.779 1.00 2.33 C ATOM 0 HA PRO A 16 15.016 4.484 5.257 1.00 65.43 H new ATOM 0 HB2 PRO A 16 15.821 4.878 7.954 1.00 31.45 H new ATOM 0 HB3 PRO A 16 15.579 3.292 7.248 1.00 31.45 H new ATOM 0 HG2 PRO A 16 18.150 4.829 7.615 1.00 72.43 H new ATOM 0 HG3 PRO A 16 17.849 3.119 7.852 1.00 72.43 H new ATOM 0 HD2 PRO A 16 19.094 3.935 5.616 1.00 2.33 H new ATOM 0 HD3 PRO A 16 17.909 2.648 5.511 1.00 2.33 H new ATOM 239 N LEU A 17 14.665 6.852 5.057 1.00 71.10 N ATOM 240 CA LEU A 17 14.232 8.254 5.001 1.00 41.42 C ATOM 241 C LEU A 17 13.348 8.576 6.222 1.00 12.12 C ATOM 242 O LEU A 17 13.231 9.737 6.635 1.00 51.54 O ATOM 243 CB LEU A 17 13.431 8.489 3.687 1.00 62.23 C ATOM 244 CG LEU A 17 13.074 9.979 3.362 1.00 43.15 C ATOM 245 CD1 LEU A 17 14.324 10.765 2.904 1.00 1.01 C ATOM 246 CD2 LEU A 17 11.926 10.080 2.337 1.00 53.32 C ATOM 0 H LEU A 17 14.146 6.246 4.422 1.00 71.10 H new ATOM 0 HA LEU A 17 15.104 8.908 5.016 1.00 41.42 H new ATOM 0 HB2 LEU A 17 14.007 8.084 2.855 1.00 62.23 H new ATOM 0 HB3 LEU A 17 12.505 7.917 3.741 1.00 62.23 H new ATOM 0 HG LEU A 17 12.717 10.440 4.283 1.00 43.15 H new ATOM 0 HD11 LEU A 17 14.046 11.796 2.685 1.00 1.01 H new ATOM 0 HD12 LEU A 17 15.073 10.751 3.696 1.00 1.01 H new ATOM 0 HD13 LEU A 17 14.736 10.303 2.007 1.00 1.01 H new ATOM 0 HD21 LEU A 17 11.708 11.129 2.138 1.00 53.32 H new ATOM 0 HD22 LEU A 17 12.221 9.588 1.410 1.00 53.32 H new ATOM 0 HD23 LEU A 17 11.036 9.594 2.738 1.00 53.32 H new ATOM 258 N GLY A 18 12.721 7.524 6.771 1.00 51.14 N ATOM 259 CA GLY A 18 11.909 7.629 7.973 1.00 30.42 C ATOM 260 C GLY A 18 11.123 6.366 8.248 1.00 41.32 C ATOM 261 O GLY A 18 11.226 5.383 7.504 1.00 10.54 O ATOM 0 H GLY A 18 12.769 6.580 6.387 1.00 51.14 H new ATOM 0 HA2 GLY A 18 12.553 7.846 8.825 1.00 30.42 H new ATOM 0 HA3 GLY A 18 11.220 8.468 7.871 1.00 30.42 H new ATOM 265 N ARG A 19 10.330 6.395 9.321 1.00 22.13 N ATOM 266 CA ARG A 19 9.514 5.253 9.767 1.00 63.12 C ATOM 267 C ARG A 19 8.029 5.601 9.685 1.00 52.40 C ATOM 268 O ARG A 19 7.639 6.738 9.960 1.00 63.01 O ATOM 269 CB ARG A 19 9.900 4.869 11.212 1.00 32.30 C ATOM 270 CG ARG A 19 11.346 4.358 11.361 1.00 30.43 C ATOM 271 CD ARG A 19 11.718 4.009 12.812 1.00 62.44 C ATOM 272 NE ARG A 19 12.943 3.202 12.880 1.00 30.21 N ATOM 273 CZ ARG A 19 13.433 2.624 13.983 1.00 34.22 C ATOM 274 NH1 ARG A 19 12.822 2.756 15.160 1.00 72.44 N ATOM 275 NH2 ARG A 19 14.524 1.886 13.899 1.00 23.44 N ATOM 0 H ARG A 19 10.232 7.219 9.914 1.00 22.13 H new ATOM 0 HA ARG A 19 9.704 4.402 9.113 1.00 63.12 H new ATOM 0 HB2 ARG A 19 9.765 5.738 11.856 1.00 32.30 H new ATOM 0 HB3 ARG A 19 9.215 4.099 11.567 1.00 32.30 H new ATOM 0 HG2 ARG A 19 11.479 3.475 10.736 1.00 30.43 H new ATOM 0 HG3 ARG A 19 12.033 5.118 10.989 1.00 30.43 H new ATOM 0 HD2 ARG A 19 11.855 4.927 13.383 1.00 62.44 H new ATOM 0 HD3 ARG A 19 10.897 3.464 13.277 1.00 62.44 H new ATOM 0 HE ARG A 19 13.464 3.071 12.013 1.00 30.21 H new ATOM 0 HH11 ARG A 19 11.965 3.305 15.231 1.00 72.44 H new ATOM 0 HH12 ARG A 19 13.211 2.308 15.990 1.00 72.44 H new ATOM 0 HH21 ARG A 19 14.986 1.760 12.999 1.00 23.44 H new ATOM 0 HH22 ARG A 19 14.905 1.442 14.734 1.00 23.44 H new ATOM 289 N VAL A 20 7.203 4.620 9.289 1.00 1.25 N ATOM 290 CA VAL A 20 5.751 4.805 9.128 1.00 42.10 C ATOM 291 C VAL A 20 4.986 3.668 9.837 1.00 73.22 C ATOM 292 O VAL A 20 5.403 2.506 9.788 1.00 11.31 O ATOM 293 CB VAL A 20 5.340 4.846 7.605 1.00 33.53 C ATOM 294 CG1 VAL A 20 3.841 5.131 7.447 1.00 60.11 C ATOM 295 CG2 VAL A 20 6.166 5.877 6.802 1.00 32.34 C ATOM 0 H VAL A 20 7.522 3.676 9.071 1.00 1.25 H new ATOM 0 HA VAL A 20 5.488 5.761 9.581 1.00 42.10 H new ATOM 0 HB VAL A 20 5.558 3.859 7.196 1.00 33.53 H new ATOM 0 HG11 VAL A 20 3.585 5.154 6.388 1.00 60.11 H new ATOM 0 HG12 VAL A 20 3.267 4.348 7.942 1.00 60.11 H new ATOM 0 HG13 VAL A 20 3.604 6.094 7.898 1.00 60.11 H new ATOM 0 HG21 VAL A 20 5.846 5.867 5.760 1.00 32.34 H new ATOM 0 HG22 VAL A 20 6.012 6.872 7.220 1.00 32.34 H new ATOM 0 HG23 VAL A 20 7.224 5.620 6.859 1.00 32.34 H new ATOM 305 N SER A 21 3.862 4.024 10.475 1.00 13.02 N ATOM 306 CA SER A 21 2.961 3.091 11.156 1.00 64.24 C ATOM 307 C SER A 21 1.552 3.193 10.522 1.00 24.41 C ATOM 308 O SER A 21 0.927 4.265 10.547 1.00 33.14 O ATOM 309 CB SER A 21 2.935 3.429 12.669 1.00 3.11 C ATOM 310 OG SER A 21 2.617 4.790 12.896 1.00 72.11 O ATOM 0 H SER A 21 3.549 4.993 10.532 1.00 13.02 H new ATOM 0 HA SER A 21 3.309 2.064 11.043 1.00 64.24 H new ATOM 0 HB2 SER A 21 2.203 2.796 13.171 1.00 3.11 H new ATOM 0 HB3 SER A 21 3.907 3.204 13.109 1.00 3.11 H new ATOM 0 HG SER A 21 1.946 5.082 12.244 1.00 72.11 H new ATOM 316 N PHE A 22 1.082 2.090 9.914 1.00 30.15 N ATOM 317 CA PHE A 22 -0.258 1.991 9.313 1.00 33.13 C ATOM 318 C PHE A 22 -1.173 1.186 10.241 1.00 62.42 C ATOM 319 O PHE A 22 -0.967 -0.012 10.436 1.00 32.40 O ATOM 320 CB PHE A 22 -0.206 1.285 7.936 1.00 2.33 C ATOM 321 CG PHE A 22 0.781 1.880 6.943 1.00 51.22 C ATOM 322 CD1 PHE A 22 0.432 2.982 6.163 1.00 33.14 C ATOM 323 CD2 PHE A 22 2.050 1.318 6.767 1.00 13.31 C ATOM 324 CE1 PHE A 22 1.317 3.500 5.247 1.00 4.04 C ATOM 325 CE2 PHE A 22 2.933 1.843 5.852 1.00 33.02 C ATOM 326 CZ PHE A 22 2.568 2.930 5.091 1.00 61.40 C ATOM 0 H PHE A 22 1.628 1.233 9.826 1.00 30.15 H new ATOM 0 HA PHE A 22 -0.641 3.002 9.175 1.00 33.13 H new ATOM 0 HB2 PHE A 22 0.047 0.236 8.092 1.00 2.33 H new ATOM 0 HB3 PHE A 22 -1.202 1.310 7.494 1.00 2.33 H new ATOM 0 HD1 PHE A 22 -0.542 3.433 6.279 1.00 33.14 H new ATOM 0 HD2 PHE A 22 2.340 0.461 7.357 1.00 13.31 H new ATOM 0 HE1 PHE A 22 1.035 4.353 4.648 1.00 4.04 H new ATOM 0 HE2 PHE A 22 3.912 1.403 5.731 1.00 33.02 H new ATOM 0 HZ PHE A 22 3.260 3.339 4.370 1.00 61.40 H new ATOM 336 N GLU A 23 -2.173 1.847 10.796 1.00 1.05 N ATOM 337 CA GLU A 23 -3.195 1.223 11.635 1.00 23.15 C ATOM 338 C GLU A 23 -4.188 0.420 10.751 1.00 5.33 C ATOM 339 O GLU A 23 -5.014 1.009 10.039 1.00 4.21 O ATOM 340 CB GLU A 23 -3.902 2.344 12.433 1.00 71.23 C ATOM 341 CG GLU A 23 -4.940 1.865 13.452 1.00 12.31 C ATOM 342 CD GLU A 23 -5.513 3.012 14.294 1.00 20.20 C ATOM 343 OE1 GLU A 23 -6.432 3.708 13.819 1.00 3.12 O ATOM 344 OE2 GLU A 23 -5.030 3.242 15.425 1.00 31.21 O ATOM 0 H GLU A 23 -2.305 2.851 10.677 1.00 1.05 H new ATOM 0 HA GLU A 23 -2.751 0.515 12.335 1.00 23.15 H new ATOM 0 HB2 GLU A 23 -3.145 2.928 12.957 1.00 71.23 H new ATOM 0 HB3 GLU A 23 -4.392 3.016 11.728 1.00 71.23 H new ATOM 0 HG2 GLU A 23 -5.753 1.363 12.928 1.00 12.31 H new ATOM 0 HG3 GLU A 23 -4.483 1.128 14.112 1.00 12.31 H new ATOM 351 N LEU A 24 -4.041 -0.928 10.752 1.00 62.02 N ATOM 352 CA LEU A 24 -4.924 -1.836 9.992 1.00 73.14 C ATOM 353 C LEU A 24 -6.189 -2.124 10.816 1.00 32.04 C ATOM 354 O LEU A 24 -6.095 -2.657 11.925 1.00 14.33 O ATOM 355 CB LEU A 24 -4.217 -3.186 9.648 1.00 63.13 C ATOM 356 CG LEU A 24 -2.796 -3.110 9.005 1.00 22.13 C ATOM 357 CD1 LEU A 24 -2.337 -4.509 8.542 1.00 44.12 C ATOM 358 CD2 LEU A 24 -2.728 -2.082 7.855 1.00 14.15 C ATOM 0 H LEU A 24 -3.311 -1.410 11.277 1.00 62.02 H new ATOM 0 HA LEU A 24 -5.181 -1.343 9.054 1.00 73.14 H new ATOM 0 HB2 LEU A 24 -4.141 -3.769 10.565 1.00 63.13 H new ATOM 0 HB3 LEU A 24 -4.864 -3.742 8.970 1.00 63.13 H new ATOM 0 HG LEU A 24 -2.106 -2.759 9.773 1.00 22.13 H new ATOM 0 HD11 LEU A 24 -1.345 -4.437 8.096 1.00 44.12 H new ATOM 0 HD12 LEU A 24 -2.302 -5.182 9.398 1.00 44.12 H new ATOM 0 HD13 LEU A 24 -3.039 -4.896 7.804 1.00 44.12 H new ATOM 0 HD21 LEU A 24 -1.720 -2.066 7.440 1.00 14.15 H new ATOM 0 HD22 LEU A 24 -3.437 -2.361 7.075 1.00 14.15 H new ATOM 0 HD23 LEU A 24 -2.979 -1.092 8.236 1.00 14.15 H new ATOM 370 N PHE A 25 -7.357 -1.776 10.276 1.00 22.44 N ATOM 371 CA PHE A 25 -8.646 -2.030 10.922 1.00 5.01 C ATOM 372 C PHE A 25 -9.125 -3.463 10.606 1.00 21.35 C ATOM 373 O PHE A 25 -10.081 -3.660 9.841 1.00 70.54 O ATOM 374 CB PHE A 25 -9.689 -0.983 10.462 1.00 41.50 C ATOM 375 CG PHE A 25 -9.264 0.477 10.643 1.00 42.21 C ATOM 376 CD1 PHE A 25 -9.536 1.167 11.824 1.00 50.41 C ATOM 377 CD2 PHE A 25 -8.604 1.167 9.622 1.00 0.11 C ATOM 378 CE1 PHE A 25 -9.169 2.489 11.981 1.00 3.20 C ATOM 379 CE2 PHE A 25 -8.236 2.486 9.784 1.00 73.32 C ATOM 380 CZ PHE A 25 -8.520 3.147 10.961 1.00 54.44 C ATOM 0 H PHE A 25 -7.437 -1.308 9.373 1.00 22.44 H new ATOM 0 HA PHE A 25 -8.527 -1.940 12.002 1.00 5.01 H new ATOM 0 HB2 PHE A 25 -9.912 -1.153 9.409 1.00 41.50 H new ATOM 0 HB3 PHE A 25 -10.614 -1.147 11.014 1.00 41.50 H new ATOM 0 HD1 PHE A 25 -10.043 0.658 12.631 1.00 50.41 H new ATOM 0 HD2 PHE A 25 -8.380 0.661 8.695 1.00 0.11 H new ATOM 0 HE1 PHE A 25 -9.391 3.006 12.903 1.00 3.20 H new ATOM 0 HE2 PHE A 25 -7.724 3.003 8.986 1.00 73.32 H new ATOM 0 HZ PHE A 25 -8.233 4.181 11.082 1.00 54.44 H new ATOM 390 N ALA A 26 -8.432 -4.459 11.193 1.00 32.33 N ATOM 391 CA ALA A 26 -8.753 -5.893 11.004 1.00 25.14 C ATOM 392 C ALA A 26 -10.167 -6.229 11.493 1.00 71.11 C ATOM 393 O ALA A 26 -10.829 -7.106 10.935 1.00 14.04 O ATOM 394 CB ALA A 26 -7.714 -6.770 11.710 1.00 73.32 C ATOM 0 H ALA A 26 -7.636 -4.296 11.810 1.00 32.33 H new ATOM 0 HA ALA A 26 -8.721 -6.101 9.934 1.00 25.14 H new ATOM 0 HB1 ALA A 26 -7.964 -7.821 11.562 1.00 73.32 H new ATOM 0 HB2 ALA A 26 -6.726 -6.570 11.295 1.00 73.32 H new ATOM 0 HB3 ALA A 26 -7.712 -6.544 12.776 1.00 73.32 H new ATOM 400 N ASP A 27 -10.616 -5.480 12.513 1.00 21.24 N ATOM 401 CA ASP A 27 -11.953 -5.621 13.118 1.00 75.23 C ATOM 402 C ASP A 27 -13.087 -5.330 12.106 1.00 4.31 C ATOM 403 O ASP A 27 -14.207 -5.817 12.272 1.00 21.03 O ATOM 404 CB ASP A 27 -12.077 -4.664 14.340 1.00 12.02 C ATOM 405 CG ASP A 27 -12.097 -3.165 13.954 1.00 52.21 C ATOM 406 OD1 ASP A 27 -11.145 -2.703 13.298 1.00 42.21 O ATOM 407 OD2 ASP A 27 -13.075 -2.449 14.286 1.00 23.12 O ATOM 0 H ASP A 27 -10.053 -4.749 12.948 1.00 21.24 H new ATOM 0 HA ASP A 27 -12.062 -6.657 13.440 1.00 75.23 H new ATOM 0 HB2 ASP A 27 -12.990 -4.902 14.886 1.00 12.02 H new ATOM 0 HB3 ASP A 27 -11.243 -4.845 15.018 1.00 12.02 H new ATOM 412 N LYS A 28 -12.787 -4.502 11.087 1.00 15.44 N ATOM 413 CA LYS A 28 -13.760 -4.096 10.050 1.00 23.54 C ATOM 414 C LYS A 28 -13.590 -4.954 8.789 1.00 13.51 C ATOM 415 O LYS A 28 -14.560 -5.489 8.256 1.00 33.44 O ATOM 416 CB LYS A 28 -13.576 -2.593 9.695 1.00 52.01 C ATOM 417 CG LYS A 28 -13.521 -1.666 10.923 1.00 24.23 C ATOM 418 CD LYS A 28 -13.550 -0.166 10.567 1.00 51.13 C ATOM 419 CE LYS A 28 -13.144 0.723 11.754 1.00 13.42 C ATOM 420 NZ LYS A 28 -13.819 0.332 13.021 1.00 25.02 N ATOM 0 H LYS A 28 -11.861 -4.094 10.958 1.00 15.44 H new ATOM 0 HA LYS A 28 -14.765 -4.246 10.445 1.00 23.54 H new ATOM 0 HB2 LYS A 28 -12.657 -2.475 9.121 1.00 52.01 H new ATOM 0 HB3 LYS A 28 -14.397 -2.278 9.051 1.00 52.01 H new ATOM 0 HG2 LYS A 28 -14.364 -1.892 11.576 1.00 24.23 H new ATOM 0 HG3 LYS A 28 -12.614 -1.879 11.488 1.00 24.23 H new ATOM 0 HD2 LYS A 28 -12.877 0.020 9.730 1.00 51.13 H new ATOM 0 HD3 LYS A 28 -14.552 0.108 10.237 1.00 51.13 H new ATOM 0 HE2 LYS A 28 -12.064 0.669 11.891 1.00 13.42 H new ATOM 0 HE3 LYS A 28 -13.384 1.761 11.524 1.00 13.42 H new ATOM 0 HZ1 LYS A 28 -13.617 1.041 13.755 1.00 25.02 H new ATOM 0 HZ2 LYS A 28 -14.846 0.278 12.865 1.00 25.02 H new ATOM 0 HZ3 LYS A 28 -13.466 -0.596 13.330 1.00 25.02 H new ATOM 434 N VAL A 29 -12.334 -5.066 8.320 1.00 3.43 N ATOM 435 CA VAL A 29 -11.985 -5.746 7.053 1.00 14.02 C ATOM 436 C VAL A 29 -11.010 -6.940 7.333 1.00 24.31 C ATOM 437 O VAL A 29 -9.775 -6.813 7.224 1.00 23.12 O ATOM 438 CB VAL A 29 -11.395 -4.703 6.013 1.00 51.54 C ATOM 439 CG1 VAL A 29 -12.471 -3.676 5.577 1.00 23.44 C ATOM 440 CG2 VAL A 29 -10.176 -3.953 6.585 1.00 63.52 C ATOM 0 H VAL A 29 -11.525 -4.685 8.811 1.00 3.43 H new ATOM 0 HA VAL A 29 -12.884 -6.167 6.603 1.00 14.02 H new ATOM 0 HB VAL A 29 -11.074 -5.277 5.144 1.00 51.54 H new ATOM 0 HG11 VAL A 29 -12.037 -2.975 4.864 1.00 23.44 H new ATOM 0 HG12 VAL A 29 -13.305 -4.199 5.109 1.00 23.44 H new ATOM 0 HG13 VAL A 29 -12.829 -3.131 6.450 1.00 23.44 H new ATOM 0 HG21 VAL A 29 -9.801 -3.248 5.843 1.00 63.52 H new ATOM 0 HG22 VAL A 29 -10.471 -3.411 7.483 1.00 63.52 H new ATOM 0 HG23 VAL A 29 -9.392 -4.669 6.834 1.00 63.52 H new ATOM 450 N PRO A 30 -11.570 -8.144 7.717 1.00 73.11 N ATOM 451 CA PRO A 30 -10.757 -9.300 8.177 1.00 32.44 C ATOM 452 C PRO A 30 -9.788 -9.804 7.090 1.00 1.23 C ATOM 453 O PRO A 30 -8.587 -9.918 7.334 1.00 31.24 O ATOM 454 CB PRO A 30 -11.825 -10.375 8.556 1.00 73.11 C ATOM 455 CG PRO A 30 -13.062 -9.985 7.798 1.00 1.02 C ATOM 456 CD PRO A 30 -13.028 -8.473 7.714 1.00 42.30 C ATOM 0 HA PRO A 30 -10.106 -9.043 9.012 1.00 32.44 H new ATOM 0 HB2 PRO A 30 -11.492 -11.375 8.279 1.00 73.11 H new ATOM 0 HB3 PRO A 30 -12.009 -10.386 9.630 1.00 73.11 H new ATOM 0 HG2 PRO A 30 -13.070 -10.433 6.804 1.00 1.02 H new ATOM 0 HG3 PRO A 30 -13.961 -10.329 8.310 1.00 1.02 H new ATOM 0 HD2 PRO A 30 -13.517 -8.112 6.809 1.00 42.30 H new ATOM 0 HD3 PRO A 30 -13.543 -8.015 8.559 1.00 42.30 H new ATOM 464 N LYS A 31 -10.333 -10.023 5.882 1.00 11.13 N ATOM 465 CA LYS A 31 -9.604 -10.598 4.742 1.00 54.24 C ATOM 466 C LYS A 31 -8.404 -9.729 4.335 1.00 34.12 C ATOM 467 O LYS A 31 -7.265 -10.208 4.288 1.00 24.20 O ATOM 468 CB LYS A 31 -10.586 -10.752 3.554 1.00 31.21 C ATOM 469 CG LYS A 31 -10.003 -11.415 2.292 1.00 22.45 C ATOM 470 CD LYS A 31 -11.064 -11.678 1.193 1.00 41.31 C ATOM 471 CE LYS A 31 -12.199 -12.610 1.656 1.00 71.23 C ATOM 472 NZ LYS A 31 -11.683 -13.908 2.179 1.00 14.43 N ATOM 0 H LYS A 31 -11.306 -9.802 5.668 1.00 11.13 H new ATOM 0 HA LYS A 31 -9.208 -11.571 5.033 1.00 54.24 H new ATOM 0 HB2 LYS A 31 -11.443 -11.337 3.887 1.00 31.21 H new ATOM 0 HB3 LYS A 31 -10.960 -9.764 3.284 1.00 31.21 H new ATOM 0 HG2 LYS A 31 -9.218 -10.778 1.885 1.00 22.45 H new ATOM 0 HG3 LYS A 31 -9.535 -12.360 2.569 1.00 22.45 H new ATOM 0 HD2 LYS A 31 -11.491 -10.727 0.874 1.00 41.31 H new ATOM 0 HD3 LYS A 31 -10.575 -12.116 0.323 1.00 41.31 H new ATOM 0 HE2 LYS A 31 -12.781 -12.113 2.432 1.00 71.23 H new ATOM 0 HE3 LYS A 31 -12.875 -12.799 0.822 1.00 71.23 H new ATOM 0 HZ1 LYS A 31 -12.094 -14.691 1.631 1.00 14.43 H new ATOM 0 HZ2 LYS A 31 -10.647 -13.930 2.091 1.00 14.43 H new ATOM 0 HZ3 LYS A 31 -11.948 -14.009 3.180 1.00 14.43 H new ATOM 486 N THR A 32 -8.684 -8.442 4.094 1.00 2.35 N ATOM 487 CA THR A 32 -7.738 -7.512 3.464 1.00 4.23 C ATOM 488 C THR A 32 -6.627 -7.059 4.450 1.00 12.25 C ATOM 489 O THR A 32 -5.459 -6.929 4.051 1.00 22.41 O ATOM 490 CB THR A 32 -8.518 -6.279 2.882 1.00 45.34 C ATOM 491 OG1 THR A 32 -9.688 -6.738 2.170 1.00 60.55 O ATOM 492 CG2 THR A 32 -7.655 -5.431 1.925 1.00 74.22 C ATOM 0 H THR A 32 -9.579 -8.014 4.332 1.00 2.35 H new ATOM 0 HA THR A 32 -7.238 -8.034 2.648 1.00 4.23 H new ATOM 0 HB THR A 32 -8.798 -5.650 3.727 1.00 45.34 H new ATOM 0 HG1 THR A 32 -9.717 -6.320 1.284 1.00 60.55 H new ATOM 0 HG21 THR A 32 -8.243 -4.592 1.552 1.00 74.22 H new ATOM 0 HG22 THR A 32 -6.783 -5.054 2.459 1.00 74.22 H new ATOM 0 HG23 THR A 32 -7.329 -6.047 1.087 1.00 74.22 H new ATOM 500 N ALA A 33 -6.984 -6.853 5.741 1.00 24.15 N ATOM 501 CA ALA A 33 -6.019 -6.402 6.767 1.00 52.21 C ATOM 502 C ALA A 33 -5.103 -7.555 7.220 1.00 2.41 C ATOM 503 O ALA A 33 -3.882 -7.366 7.345 1.00 33.21 O ATOM 504 CB ALA A 33 -6.752 -5.779 7.957 1.00 61.03 C ATOM 0 H ALA A 33 -7.931 -6.992 6.093 1.00 24.15 H new ATOM 0 HA ALA A 33 -5.384 -5.637 6.320 1.00 52.21 H new ATOM 0 HB1 ALA A 33 -6.026 -5.453 8.702 1.00 61.03 H new ATOM 0 HB2 ALA A 33 -7.334 -4.922 7.618 1.00 61.03 H new ATOM 0 HB3 ALA A 33 -7.420 -6.518 8.400 1.00 61.03 H new ATOM 510 N GLU A 34 -5.702 -8.755 7.442 1.00 44.44 N ATOM 511 CA GLU A 34 -4.949 -9.967 7.842 1.00 53.34 C ATOM 512 C GLU A 34 -3.949 -10.379 6.745 1.00 12.32 C ATOM 513 O GLU A 34 -2.826 -10.802 7.054 1.00 10.11 O ATOM 514 CB GLU A 34 -5.904 -11.155 8.137 1.00 1.03 C ATOM 515 CG GLU A 34 -5.204 -12.481 8.534 1.00 54.02 C ATOM 516 CD GLU A 34 -4.489 -12.427 9.897 1.00 5.32 C ATOM 517 OE1 GLU A 34 -3.309 -12.010 9.968 1.00 33.41 O ATOM 518 OE2 GLU A 34 -5.110 -12.806 10.914 1.00 14.00 O ATOM 0 H GLU A 34 -6.707 -8.906 7.350 1.00 44.44 H new ATOM 0 HA GLU A 34 -4.404 -9.720 8.753 1.00 53.34 H new ATOM 0 HB2 GLU A 34 -6.581 -10.865 8.941 1.00 1.03 H new ATOM 0 HB3 GLU A 34 -6.516 -11.336 7.254 1.00 1.03 H new ATOM 0 HG2 GLU A 34 -5.946 -13.279 8.556 1.00 54.02 H new ATOM 0 HG3 GLU A 34 -4.478 -12.741 7.764 1.00 54.02 H new ATOM 525 N ASN A 35 -4.393 -10.248 5.470 1.00 40.30 N ATOM 526 CA ASN A 35 -3.567 -10.525 4.280 1.00 64.12 C ATOM 527 C ASN A 35 -2.214 -9.800 4.371 1.00 62.24 C ATOM 528 O ASN A 35 -1.170 -10.445 4.486 1.00 63.02 O ATOM 529 CB ASN A 35 -4.316 -10.096 2.982 1.00 44.13 C ATOM 530 CG ASN A 35 -3.494 -10.304 1.700 1.00 31.21 C ATOM 531 OD1 ASN A 35 -2.715 -11.241 1.589 1.00 0.43 O ATOM 532 ND2 ASN A 35 -3.649 -9.423 0.731 1.00 74.13 N ATOM 0 H ASN A 35 -5.340 -9.945 5.243 1.00 40.30 H new ATOM 0 HA ASN A 35 -3.382 -11.599 4.242 1.00 64.12 H new ATOM 0 HB2 ASN A 35 -5.244 -10.662 2.904 1.00 44.13 H new ATOM 0 HB3 ASN A 35 -4.590 -9.044 3.061 1.00 44.13 H new ATOM 0 HD21 ASN A 35 -3.114 -9.515 -0.132 1.00 74.13 H new ATOM 0 HD22 ASN A 35 -4.304 -8.650 0.845 1.00 74.13 H new ATOM 539 N PHE A 36 -2.280 -8.456 4.405 1.00 62.25 N ATOM 540 CA PHE A 36 -1.098 -7.580 4.396 1.00 62.51 C ATOM 541 C PHE A 36 -0.237 -7.768 5.656 1.00 12.24 C ATOM 542 O PHE A 36 0.992 -7.662 5.590 1.00 54.52 O ATOM 543 CB PHE A 36 -1.534 -6.107 4.263 1.00 45.40 C ATOM 544 CG PHE A 36 -0.376 -5.101 4.168 1.00 30.24 C ATOM 545 CD1 PHE A 36 0.313 -4.916 2.969 1.00 74.13 C ATOM 546 CD2 PHE A 36 0.023 -4.339 5.275 1.00 71.23 C ATOM 547 CE1 PHE A 36 1.355 -4.010 2.884 1.00 15.05 C ATOM 548 CE2 PHE A 36 1.063 -3.438 5.178 1.00 5.13 C ATOM 549 CZ PHE A 36 1.728 -3.273 3.986 1.00 70.40 C ATOM 0 H PHE A 36 -3.163 -7.946 4.440 1.00 62.25 H new ATOM 0 HA PHE A 36 -0.487 -7.856 3.537 1.00 62.51 H new ATOM 0 HB2 PHE A 36 -2.159 -6.006 3.376 1.00 45.40 H new ATOM 0 HB3 PHE A 36 -2.154 -5.847 5.121 1.00 45.40 H new ATOM 0 HD1 PHE A 36 0.030 -5.487 2.097 1.00 74.13 H new ATOM 0 HD2 PHE A 36 -0.491 -4.459 6.217 1.00 71.23 H new ATOM 0 HE1 PHE A 36 1.879 -3.880 1.948 1.00 15.05 H new ATOM 0 HE2 PHE A 36 1.356 -2.860 6.042 1.00 5.13 H new ATOM 0 HZ PHE A 36 2.542 -2.566 3.914 1.00 70.40 H new ATOM 559 N ARG A 37 -0.897 -8.050 6.795 1.00 30.32 N ATOM 560 CA ARG A 37 -0.213 -8.279 8.077 1.00 14.44 C ATOM 561 C ARG A 37 0.663 -9.545 8.008 1.00 41.41 C ATOM 562 O ARG A 37 1.798 -9.550 8.494 1.00 65.05 O ATOM 563 CB ARG A 37 -1.245 -8.390 9.232 1.00 23.44 C ATOM 564 CG ARG A 37 -0.603 -8.528 10.628 1.00 54.34 C ATOM 565 CD ARG A 37 -1.616 -8.481 11.779 1.00 51.32 C ATOM 566 NE ARG A 37 -2.479 -9.669 11.845 1.00 61.32 N ATOM 567 CZ ARG A 37 -3.211 -10.025 12.917 1.00 44.42 C ATOM 568 NH1 ARG A 37 -3.203 -9.288 14.035 1.00 2.32 N ATOM 569 NH2 ARG A 37 -3.932 -11.130 12.869 1.00 33.11 N ATOM 0 H ARG A 37 -1.913 -8.125 6.850 1.00 30.32 H new ATOM 0 HA ARG A 37 0.436 -7.426 8.277 1.00 14.44 H new ATOM 0 HB2 ARG A 37 -1.884 -7.507 9.222 1.00 23.44 H new ATOM 0 HB3 ARG A 37 -1.888 -9.251 9.051 1.00 23.44 H new ATOM 0 HG2 ARG A 37 -0.056 -9.470 10.675 1.00 54.34 H new ATOM 0 HG3 ARG A 37 0.126 -7.729 10.764 1.00 54.34 H new ATOM 0 HD2 ARG A 37 -1.079 -8.378 12.722 1.00 51.32 H new ATOM 0 HD3 ARG A 37 -2.239 -7.594 11.669 1.00 51.32 H new ATOM 0 HE ARG A 37 -2.527 -10.266 11.020 1.00 61.32 H new ATOM 0 HH11 ARG A 37 -2.636 -8.442 14.084 1.00 2.32 H new ATOM 0 HH12 ARG A 37 -3.764 -9.573 14.838 1.00 2.32 H new ATOM 0 HH21 ARG A 37 -3.930 -11.704 12.026 1.00 33.11 H new ATOM 0 HH22 ARG A 37 -4.491 -11.410 13.675 1.00 33.11 H new ATOM 583 N ALA A 38 0.130 -10.592 7.357 1.00 2.14 N ATOM 584 CA ALA A 38 0.834 -11.877 7.180 1.00 42.45 C ATOM 585 C ALA A 38 1.926 -11.777 6.093 1.00 41.10 C ATOM 586 O ALA A 38 2.901 -12.543 6.117 1.00 13.00 O ATOM 587 CB ALA A 38 -0.174 -12.981 6.852 1.00 3.31 C ATOM 0 H ALA A 38 -0.800 -10.574 6.938 1.00 2.14 H new ATOM 0 HA ALA A 38 1.336 -12.128 8.115 1.00 42.45 H new ATOM 0 HB1 ALA A 38 0.352 -13.927 6.722 1.00 3.31 H new ATOM 0 HB2 ALA A 38 -0.891 -13.073 7.668 1.00 3.31 H new ATOM 0 HB3 ALA A 38 -0.702 -12.730 5.932 1.00 3.31 H new ATOM 593 N LEU A 39 1.743 -10.832 5.140 1.00 10.42 N ATOM 594 CA LEU A 39 2.759 -10.490 4.120 1.00 73.04 C ATOM 595 C LEU A 39 3.961 -9.786 4.791 1.00 32.11 C ATOM 596 O LEU A 39 5.118 -10.045 4.446 1.00 63.23 O ATOM 597 CB LEU A 39 2.156 -9.555 3.018 1.00 4.42 C ATOM 598 CG LEU A 39 0.951 -10.104 2.181 1.00 13.12 C ATOM 599 CD1 LEU A 39 0.472 -9.075 1.124 1.00 60.44 C ATOM 600 CD2 LEU A 39 1.288 -11.451 1.527 1.00 22.33 C ATOM 0 H LEU A 39 0.885 -10.286 5.058 1.00 10.42 H new ATOM 0 HA LEU A 39 3.090 -11.415 3.648 1.00 73.04 H new ATOM 0 HB2 LEU A 39 1.837 -8.631 3.499 1.00 4.42 H new ATOM 0 HB3 LEU A 39 2.955 -9.294 2.325 1.00 4.42 H new ATOM 0 HG LEU A 39 0.127 -10.269 2.876 1.00 13.12 H new ATOM 0 HD11 LEU A 39 -0.365 -9.492 0.563 1.00 60.44 H new ATOM 0 HD12 LEU A 39 0.154 -8.161 1.625 1.00 60.44 H new ATOM 0 HD13 LEU A 39 1.290 -8.848 0.440 1.00 60.44 H new ATOM 0 HD21 LEU A 39 0.430 -11.802 0.954 1.00 22.33 H new ATOM 0 HD22 LEU A 39 2.143 -11.329 0.862 1.00 22.33 H new ATOM 0 HD23 LEU A 39 1.531 -12.180 2.300 1.00 22.33 H new ATOM 612 N SER A 40 3.644 -8.903 5.760 1.00 13.31 N ATOM 613 CA SER A 40 4.622 -8.075 6.491 1.00 1.34 C ATOM 614 C SER A 40 5.514 -8.936 7.405 1.00 73.31 C ATOM 615 O SER A 40 6.747 -8.915 7.284 1.00 21.13 O ATOM 616 CB SER A 40 3.867 -7.000 7.319 1.00 32.32 C ATOM 617 OG SER A 40 4.748 -6.226 8.119 1.00 42.54 O ATOM 0 H SER A 40 2.683 -8.743 6.061 1.00 13.31 H new ATOM 0 HA SER A 40 5.275 -7.585 5.768 1.00 1.34 H new ATOM 0 HB2 SER A 40 3.319 -6.343 6.644 1.00 32.32 H new ATOM 0 HB3 SER A 40 3.131 -7.487 7.958 1.00 32.32 H new ATOM 0 HG SER A 40 4.724 -5.292 7.822 1.00 42.54 H new ATOM 623 N THR A 41 4.866 -9.690 8.304 1.00 23.33 N ATOM 624 CA THR A 41 5.552 -10.564 9.271 1.00 32.12 C ATOM 625 C THR A 41 6.164 -11.801 8.583 1.00 11.32 C ATOM 626 O THR A 41 7.174 -12.346 9.049 1.00 5.03 O ATOM 627 CB THR A 41 4.558 -11.026 10.379 1.00 1.40 C ATOM 628 OG1 THR A 41 3.342 -11.487 9.760 1.00 20.03 O ATOM 629 CG2 THR A 41 4.236 -9.907 11.381 1.00 63.12 C ATOM 0 H THR A 41 3.849 -9.712 8.383 1.00 23.33 H new ATOM 0 HA THR A 41 6.360 -9.986 9.719 1.00 32.12 H new ATOM 0 HB THR A 41 5.034 -11.832 10.938 1.00 1.40 H new ATOM 0 HG1 THR A 41 2.808 -10.717 9.474 1.00 20.03 H new ATOM 0 HG21 THR A 41 3.540 -10.280 12.132 1.00 63.12 H new ATOM 0 HG22 THR A 41 5.154 -9.580 11.868 1.00 63.12 H new ATOM 0 HG23 THR A 41 3.785 -9.066 10.855 1.00 63.12 H new ATOM 637 N GLY A 42 5.524 -12.245 7.484 1.00 41.02 N ATOM 638 CA GLY A 42 5.980 -13.411 6.737 1.00 14.14 C ATOM 639 C GLY A 42 5.497 -14.712 7.331 1.00 42.50 C ATOM 640 O GLY A 42 6.136 -15.750 7.144 1.00 74.34 O ATOM 0 H GLY A 42 4.687 -11.805 7.101 1.00 41.02 H new ATOM 0 HA2 GLY A 42 5.632 -13.336 5.707 1.00 14.14 H new ATOM 0 HA3 GLY A 42 7.070 -13.413 6.706 1.00 14.14 H new ATOM 644 N GLU A 43 4.350 -14.659 8.038 1.00 70.40 N ATOM 645 CA GLU A 43 3.723 -15.851 8.643 1.00 75.12 C ATOM 646 C GLU A 43 3.204 -16.828 7.577 1.00 61.12 C ATOM 647 O GLU A 43 3.005 -18.007 7.855 1.00 42.24 O ATOM 648 CB GLU A 43 2.579 -15.440 9.608 1.00 61.13 C ATOM 649 CG GLU A 43 3.028 -14.541 10.776 1.00 53.03 C ATOM 650 CD GLU A 43 4.202 -15.124 11.581 1.00 23.12 C ATOM 651 OE1 GLU A 43 3.998 -16.124 12.302 1.00 75.10 O ATOM 652 OE2 GLU A 43 5.334 -14.580 11.511 1.00 40.35 O ATOM 0 H GLU A 43 3.835 -13.794 8.205 1.00 70.40 H new ATOM 0 HA GLU A 43 4.494 -16.368 9.214 1.00 75.12 H new ATOM 0 HB2 GLU A 43 1.809 -14.919 9.039 1.00 61.13 H new ATOM 0 HB3 GLU A 43 2.120 -16.342 10.014 1.00 61.13 H new ATOM 0 HG2 GLU A 43 3.315 -13.565 10.384 1.00 53.03 H new ATOM 0 HG3 GLU A 43 2.183 -14.379 11.445 1.00 53.03 H new ATOM 659 N LYS A 44 2.983 -16.319 6.360 1.00 5.31 N ATOM 660 CA LYS A 44 2.579 -17.120 5.192 1.00 73.15 C ATOM 661 C LYS A 44 3.786 -17.407 4.267 1.00 4.31 C ATOM 662 O LYS A 44 3.613 -17.742 3.087 1.00 3.33 O ATOM 663 CB LYS A 44 1.461 -16.347 4.450 1.00 44.03 C ATOM 664 CG LYS A 44 0.118 -16.262 5.209 1.00 62.30 C ATOM 665 CD LYS A 44 -0.725 -17.583 5.185 1.00 23.33 C ATOM 666 CE LYS A 44 -0.883 -18.250 6.566 1.00 53.35 C ATOM 667 NZ LYS A 44 0.388 -18.837 7.072 1.00 50.02 N ATOM 0 H LYS A 44 3.080 -15.325 6.152 1.00 5.31 H new ATOM 0 HA LYS A 44 2.203 -18.091 5.513 1.00 73.15 H new ATOM 0 HB2 LYS A 44 1.812 -15.335 4.247 1.00 44.03 H new ATOM 0 HB3 LYS A 44 1.287 -16.824 3.485 1.00 44.03 H new ATOM 0 HG2 LYS A 44 0.317 -15.992 6.246 1.00 62.30 H new ATOM 0 HG3 LYS A 44 -0.478 -15.457 4.779 1.00 62.30 H new ATOM 0 HD2 LYS A 44 -1.714 -17.364 4.783 1.00 23.33 H new ATOM 0 HD3 LYS A 44 -0.254 -18.291 4.503 1.00 23.33 H new ATOM 0 HE2 LYS A 44 -1.247 -17.512 7.281 1.00 53.35 H new ATOM 0 HE3 LYS A 44 -1.639 -19.032 6.502 1.00 53.35 H new ATOM 0 HZ1 LYS A 44 0.192 -19.415 7.914 1.00 50.02 H new ATOM 0 HZ2 LYS A 44 0.813 -19.434 6.334 1.00 50.02 H new ATOM 0 HZ3 LYS A 44 1.048 -18.073 7.322 1.00 50.02 H new ATOM 681 N GLY A 45 5.007 -17.248 4.819 1.00 73.10 N ATOM 682 CA GLY A 45 6.253 -17.576 4.125 1.00 54.42 C ATOM 683 C GLY A 45 6.814 -16.443 3.274 1.00 33.15 C ATOM 684 O GLY A 45 8.024 -16.404 3.038 1.00 21.13 O ATOM 0 H GLY A 45 5.148 -16.887 5.762 1.00 73.10 H new ATOM 0 HA2 GLY A 45 7.001 -17.865 4.863 1.00 54.42 H new ATOM 0 HA3 GLY A 45 6.083 -18.444 3.487 1.00 54.42 H new ATOM 688 N PHE A 46 5.939 -15.518 2.821 1.00 42.32 N ATOM 689 CA PHE A 46 6.289 -14.537 1.773 1.00 72.14 C ATOM 690 C PHE A 46 7.309 -13.501 2.282 1.00 25.24 C ATOM 691 O PHE A 46 8.325 -13.276 1.627 1.00 22.25 O ATOM 692 CB PHE A 46 5.005 -13.834 1.249 1.00 41.22 C ATOM 693 CG PHE A 46 3.887 -14.804 0.847 1.00 65.24 C ATOM 694 CD1 PHE A 46 4.136 -15.874 -0.011 1.00 54.11 C ATOM 695 CD2 PHE A 46 2.591 -14.653 1.335 1.00 60.30 C ATOM 696 CE1 PHE A 46 3.127 -16.755 -0.360 1.00 5.23 C ATOM 697 CE2 PHE A 46 1.586 -15.531 0.981 1.00 2.14 C ATOM 698 CZ PHE A 46 1.854 -16.583 0.135 1.00 23.14 C ATOM 0 H PHE A 46 4.983 -15.431 3.167 1.00 42.32 H new ATOM 0 HA PHE A 46 6.758 -15.077 0.950 1.00 72.14 H new ATOM 0 HB2 PHE A 46 4.630 -13.162 2.021 1.00 41.22 H new ATOM 0 HB3 PHE A 46 5.265 -13.218 0.388 1.00 41.22 H new ATOM 0 HD1 PHE A 46 5.130 -16.018 -0.409 1.00 54.11 H new ATOM 0 HD2 PHE A 46 2.368 -13.834 2.003 1.00 60.30 H new ATOM 0 HE1 PHE A 46 3.339 -17.581 -1.023 1.00 5.23 H new ATOM 0 HE2 PHE A 46 0.588 -15.392 1.369 1.00 2.14 H new ATOM 0 HZ PHE A 46 1.068 -17.271 -0.140 1.00 23.14 H new ATOM 708 N GLY A 47 7.031 -12.916 3.470 1.00 71.12 N ATOM 709 CA GLY A 47 7.995 -12.062 4.182 1.00 1.23 C ATOM 710 C GLY A 47 8.560 -10.922 3.342 1.00 10.51 C ATOM 711 O GLY A 47 9.749 -10.948 3.010 1.00 75.12 O ATOM 0 H GLY A 47 6.140 -13.024 3.954 1.00 71.12 H new ATOM 0 HA2 GLY A 47 7.510 -11.643 5.064 1.00 1.23 H new ATOM 0 HA3 GLY A 47 8.820 -12.681 4.536 1.00 1.23 H new ATOM 715 N TYR A 48 7.691 -9.974 2.933 1.00 20.30 N ATOM 716 CA TYR A 48 8.100 -8.794 2.148 1.00 62.13 C ATOM 717 C TYR A 48 9.119 -7.928 2.934 1.00 52.51 C ATOM 718 O TYR A 48 8.755 -6.994 3.660 1.00 51.33 O ATOM 719 CB TYR A 48 6.843 -7.971 1.731 1.00 41.24 C ATOM 720 CG TYR A 48 6.046 -8.589 0.571 1.00 53.11 C ATOM 721 CD1 TYR A 48 5.072 -9.568 0.792 1.00 73.45 C ATOM 722 CD2 TYR A 48 6.291 -8.211 -0.755 1.00 30.50 C ATOM 723 CE1 TYR A 48 4.374 -10.133 -0.259 1.00 53.42 C ATOM 724 CE2 TYR A 48 5.597 -8.776 -1.802 1.00 43.22 C ATOM 725 CZ TYR A 48 4.638 -9.733 -1.549 1.00 2.24 C ATOM 726 OH TYR A 48 3.958 -10.306 -2.598 1.00 42.31 O ATOM 0 H TYR A 48 6.692 -10.006 3.137 1.00 20.30 H new ATOM 0 HA TYR A 48 8.602 -9.131 1.241 1.00 62.13 H new ATOM 0 HB2 TYR A 48 6.186 -7.868 2.595 1.00 41.24 H new ATOM 0 HB3 TYR A 48 7.157 -6.966 1.448 1.00 41.24 H new ATOM 0 HD1 TYR A 48 4.861 -9.888 1.802 1.00 73.45 H new ATOM 0 HD2 TYR A 48 7.040 -7.461 -0.961 1.00 30.50 H new ATOM 0 HE1 TYR A 48 3.624 -10.886 -0.068 1.00 53.42 H new ATOM 0 HE2 TYR A 48 5.803 -8.470 -2.817 1.00 43.22 H new ATOM 0 HH TYR A 48 3.084 -10.622 -2.288 1.00 42.31 H new ATOM 736 N LYS A 49 10.398 -8.297 2.783 1.00 72.54 N ATOM 737 CA LYS A 49 11.547 -7.607 3.368 1.00 21.11 C ATOM 738 C LYS A 49 12.343 -6.995 2.218 1.00 21.11 C ATOM 739 O LYS A 49 12.702 -7.713 1.276 1.00 52.41 O ATOM 740 CB LYS A 49 12.395 -8.622 4.180 1.00 13.24 C ATOM 741 CG LYS A 49 13.521 -8.011 5.043 1.00 62.12 C ATOM 742 CD LYS A 49 12.970 -7.114 6.176 1.00 73.15 C ATOM 743 CE LYS A 49 14.041 -6.756 7.216 1.00 24.10 C ATOM 744 NZ LYS A 49 15.221 -6.080 6.620 1.00 5.40 N ATOM 0 H LYS A 49 10.666 -9.112 2.231 1.00 72.54 H new ATOM 0 HA LYS A 49 11.240 -6.818 4.054 1.00 21.11 H new ATOM 0 HB2 LYS A 49 11.728 -9.186 4.832 1.00 13.24 H new ATOM 0 HB3 LYS A 49 12.840 -9.334 3.485 1.00 13.24 H new ATOM 0 HG2 LYS A 49 14.120 -8.812 5.476 1.00 62.12 H new ATOM 0 HG3 LYS A 49 14.185 -7.424 4.408 1.00 62.12 H new ATOM 0 HD2 LYS A 49 12.566 -6.198 5.746 1.00 73.15 H new ATOM 0 HD3 LYS A 49 12.144 -7.625 6.671 1.00 73.15 H new ATOM 0 HE2 LYS A 49 13.602 -6.108 7.974 1.00 24.10 H new ATOM 0 HE3 LYS A 49 14.366 -7.665 7.723 1.00 24.10 H new ATOM 0 HZ1 LYS A 49 15.830 -5.712 7.378 1.00 5.40 H new ATOM 0 HZ2 LYS A 49 15.757 -6.761 6.045 1.00 5.40 H new ATOM 0 HZ3 LYS A 49 14.903 -5.293 6.018 1.00 5.40 H new ATOM 758 N GLY A 50 12.591 -5.678 2.278 1.00 34.50 N ATOM 759 CA GLY A 50 13.195 -4.958 1.152 1.00 31.11 C ATOM 760 C GLY A 50 12.206 -4.753 0.003 1.00 50.21 C ATOM 761 O GLY A 50 12.623 -4.564 -1.144 1.00 14.54 O ATOM 0 H GLY A 50 12.384 -5.095 3.089 1.00 34.50 H new ATOM 0 HA2 GLY A 50 13.558 -3.989 1.495 1.00 31.11 H new ATOM 0 HA3 GLY A 50 14.061 -5.513 0.790 1.00 31.11 H new ATOM 765 N SER A 51 10.888 -4.820 0.322 1.00 73.12 N ATOM 766 CA SER A 51 9.804 -4.785 -0.675 1.00 55.42 C ATOM 767 C SER A 51 9.814 -3.462 -1.454 1.00 15.40 C ATOM 768 O SER A 51 9.508 -2.401 -0.903 1.00 22.44 O ATOM 769 CB SER A 51 8.438 -4.992 0.023 1.00 62.50 C ATOM 770 OG SER A 51 7.370 -5.069 -0.913 1.00 72.12 O ATOM 0 H SER A 51 10.554 -4.900 1.282 1.00 73.12 H new ATOM 0 HA SER A 51 9.965 -5.594 -1.388 1.00 55.42 H new ATOM 0 HB2 SER A 51 8.468 -5.906 0.615 1.00 62.50 H new ATOM 0 HB3 SER A 51 8.256 -4.170 0.715 1.00 62.50 H new ATOM 0 HG SER A 51 6.525 -5.201 -0.435 1.00 72.12 H new ATOM 776 N CYS A 52 10.143 -3.551 -2.746 1.00 21.32 N ATOM 777 CA CYS A 52 10.350 -2.379 -3.598 1.00 62.13 C ATOM 778 C CYS A 52 9.023 -1.813 -4.127 1.00 21.34 C ATOM 779 O CYS A 52 7.975 -2.467 -4.088 1.00 42.32 O ATOM 780 CB CYS A 52 11.323 -2.739 -4.744 1.00 0.52 C ATOM 781 SG CYS A 52 10.951 -4.291 -5.581 1.00 15.55 S ATOM 0 H CYS A 52 10.273 -4.439 -3.230 1.00 21.32 H new ATOM 0 HA CYS A 52 10.797 -1.586 -2.998 1.00 62.13 H new ATOM 0 HB2 CYS A 52 11.313 -1.934 -5.478 1.00 0.52 H new ATOM 0 HB3 CYS A 52 12.335 -2.791 -4.342 1.00 0.52 H new ATOM 0 HG CYS A 52 10.600 -4.048 -6.809 1.00 15.55 H new ATOM 787 N PHE A 53 9.094 -0.557 -4.578 1.00 61.31 N ATOM 788 CA PHE A 53 7.976 0.172 -5.183 1.00 40.43 C ATOM 789 C PHE A 53 8.313 0.425 -6.656 1.00 51.23 C ATOM 790 O PHE A 53 9.434 0.840 -6.968 1.00 50.25 O ATOM 791 CB PHE A 53 7.743 1.515 -4.429 1.00 33.02 C ATOM 792 CG PHE A 53 7.283 1.365 -2.971 1.00 42.01 C ATOM 793 CD1 PHE A 53 8.161 0.923 -1.983 1.00 72.11 C ATOM 794 CD2 PHE A 53 5.975 1.671 -2.588 1.00 21.13 C ATOM 795 CE1 PHE A 53 7.754 0.784 -0.674 1.00 33.54 C ATOM 796 CE2 PHE A 53 5.566 1.531 -1.276 1.00 15.04 C ATOM 797 CZ PHE A 53 6.456 1.088 -0.317 1.00 44.24 C ATOM 0 H PHE A 53 9.951 -0.006 -4.531 1.00 61.31 H new ATOM 0 HA PHE A 53 7.058 -0.412 -5.112 1.00 40.43 H new ATOM 0 HB2 PHE A 53 8.669 2.090 -4.446 1.00 33.02 H new ATOM 0 HB3 PHE A 53 6.998 2.096 -4.972 1.00 33.02 H new ATOM 0 HD1 PHE A 53 9.180 0.685 -2.249 1.00 72.11 H new ATOM 0 HD2 PHE A 53 5.273 2.023 -3.329 1.00 21.13 H new ATOM 0 HE1 PHE A 53 8.452 0.437 0.074 1.00 33.54 H new ATOM 0 HE2 PHE A 53 4.549 1.768 -1.000 1.00 15.04 H new ATOM 0 HZ PHE A 53 6.137 0.980 0.709 1.00 44.24 H new ATOM 807 N HIS A 54 7.356 0.158 -7.557 1.00 63.32 N ATOM 808 CA HIS A 54 7.550 0.343 -9.018 1.00 21.00 C ATOM 809 C HIS A 54 6.608 1.424 -9.562 1.00 13.04 C ATOM 810 O HIS A 54 6.854 1.971 -10.644 1.00 62.53 O ATOM 811 CB HIS A 54 7.327 -0.996 -9.774 1.00 21.21 C ATOM 812 CG HIS A 54 5.922 -1.548 -9.696 1.00 30.14 C ATOM 813 ND1 HIS A 54 5.479 -2.304 -8.635 1.00 4.11 N ATOM 814 CD2 HIS A 54 4.855 -1.430 -10.535 1.00 1.40 C ATOM 815 CE1 HIS A 54 4.223 -2.631 -8.825 1.00 43.21 C ATOM 816 NE2 HIS A 54 3.819 -2.114 -9.964 1.00 31.24 N ATOM 0 H HIS A 54 6.431 -0.190 -7.305 1.00 63.32 H new ATOM 0 HA HIS A 54 8.577 0.668 -9.183 1.00 21.00 H new ATOM 0 HB2 HIS A 54 7.587 -0.851 -10.823 1.00 21.21 H new ATOM 0 HB3 HIS A 54 8.016 -1.740 -9.375 1.00 21.21 H new ATOM 0 HD2 HIS A 54 4.832 -0.897 -11.474 1.00 1.40 H new ATOM 0 HE1 HIS A 54 3.620 -3.227 -8.156 1.00 43.21 H new ATOM 0 HE2 HIS A 54 2.883 -2.208 -10.358 1.00 31.24 H new ATOM 825 N ARG A 55 5.527 1.717 -8.812 1.00 55.22 N ATOM 826 CA ARG A 55 4.447 2.603 -9.271 1.00 71.11 C ATOM 827 C ARG A 55 4.155 3.655 -8.196 1.00 31.13 C ATOM 828 O ARG A 55 3.440 3.386 -7.251 1.00 32.10 O ATOM 829 CB ARG A 55 3.183 1.758 -9.581 1.00 22.04 C ATOM 830 CG ARG A 55 2.085 2.501 -10.372 1.00 64.32 C ATOM 831 CD ARG A 55 0.800 1.668 -10.489 1.00 0.40 C ATOM 832 NE ARG A 55 -0.122 2.167 -11.523 1.00 74.35 N ATOM 833 CZ ARG A 55 -1.366 2.598 -11.307 1.00 41.35 C ATOM 834 NH1 ARG A 55 -1.877 2.621 -10.073 1.00 72.21 N ATOM 835 NH2 ARG A 55 -2.119 2.967 -12.335 1.00 43.02 N ATOM 0 H ARG A 55 5.381 1.345 -7.873 1.00 55.22 H new ATOM 0 HA ARG A 55 4.750 3.119 -10.182 1.00 71.11 H new ATOM 0 HB2 ARG A 55 3.483 0.875 -10.145 1.00 22.04 H new ATOM 0 HB3 ARG A 55 2.759 1.406 -8.641 1.00 22.04 H new ATOM 0 HG2 ARG A 55 1.861 3.447 -9.880 1.00 64.32 H new ATOM 0 HG3 ARG A 55 2.455 2.740 -11.369 1.00 64.32 H new ATOM 0 HD2 ARG A 55 1.064 0.635 -10.714 1.00 0.40 H new ATOM 0 HD3 ARG A 55 0.288 1.664 -9.527 1.00 0.40 H new ATOM 0 HE ARG A 55 0.219 2.185 -12.484 1.00 74.35 H new ATOM 0 HH11 ARG A 55 -1.315 2.307 -9.282 1.00 72.21 H new ATOM 0 HH12 ARG A 55 -2.830 2.953 -9.922 1.00 72.21 H new ATOM 0 HH21 ARG A 55 -1.746 2.920 -13.283 1.00 43.02 H new ATOM 0 HH22 ARG A 55 -3.071 3.298 -12.177 1.00 43.02 H new ATOM 849 N ILE A 56 4.727 4.851 -8.331 1.00 75.02 N ATOM 850 CA ILE A 56 4.516 5.964 -7.389 1.00 43.10 C ATOM 851 C ILE A 56 4.295 7.261 -8.183 1.00 54.23 C ATOM 852 O ILE A 56 5.086 7.580 -9.078 1.00 12.12 O ATOM 853 CB ILE A 56 5.734 6.132 -6.397 1.00 42.33 C ATOM 854 CG1 ILE A 56 5.886 4.892 -5.456 1.00 63.14 C ATOM 855 CG2 ILE A 56 5.589 7.420 -5.574 1.00 43.35 C ATOM 856 CD1 ILE A 56 6.952 5.029 -4.374 1.00 4.34 C ATOM 0 H ILE A 56 5.355 5.082 -9.100 1.00 75.02 H new ATOM 0 HA ILE A 56 3.636 5.741 -6.786 1.00 43.10 H new ATOM 0 HB ILE A 56 6.640 6.203 -6.998 1.00 42.33 H new ATOM 0 HG12 ILE A 56 4.926 4.699 -4.977 1.00 63.14 H new ATOM 0 HG13 ILE A 56 6.119 4.019 -6.066 1.00 63.14 H new ATOM 0 HG21 ILE A 56 6.438 7.517 -4.897 1.00 43.35 H new ATOM 0 HG22 ILE A 56 5.560 8.279 -6.245 1.00 43.35 H new ATOM 0 HG23 ILE A 56 4.666 7.380 -4.995 1.00 43.35 H new ATOM 0 HD11 ILE A 56 6.981 4.119 -3.774 1.00 4.34 H new ATOM 0 HD12 ILE A 56 7.925 5.188 -4.840 1.00 4.34 H new ATOM 0 HD13 ILE A 56 6.713 5.878 -3.734 1.00 4.34 H new ATOM 868 N ILE A 57 3.214 7.990 -7.847 1.00 63.33 N ATOM 869 CA ILE A 57 2.810 9.235 -8.510 1.00 52.32 C ATOM 870 C ILE A 57 2.581 10.332 -7.437 1.00 52.42 C ATOM 871 O ILE A 57 1.705 10.178 -6.574 1.00 64.02 O ATOM 872 CB ILE A 57 1.522 9.011 -9.396 1.00 75.22 C ATOM 873 CG1 ILE A 57 1.829 7.934 -10.490 1.00 31.24 C ATOM 874 CG2 ILE A 57 1.017 10.342 -10.024 1.00 31.02 C ATOM 875 CD1 ILE A 57 0.717 7.613 -11.458 1.00 54.43 C ATOM 0 H ILE A 57 2.586 7.720 -7.090 1.00 63.33 H new ATOM 0 HA ILE A 57 3.604 9.562 -9.182 1.00 52.32 H new ATOM 0 HB ILE A 57 0.715 8.648 -8.760 1.00 75.22 H new ATOM 0 HG12 ILE A 57 2.693 8.269 -11.064 1.00 31.24 H new ATOM 0 HG13 ILE A 57 2.119 7.011 -9.987 1.00 31.24 H new ATOM 0 HG21 ILE A 57 0.130 10.147 -10.626 1.00 31.02 H new ATOM 0 HG22 ILE A 57 0.769 11.047 -9.231 1.00 31.02 H new ATOM 0 HG23 ILE A 57 1.798 10.766 -10.655 1.00 31.02 H new ATOM 0 HD11 ILE A 57 1.056 6.854 -12.163 1.00 54.43 H new ATOM 0 HD12 ILE A 57 -0.146 7.238 -10.909 1.00 54.43 H new ATOM 0 HD13 ILE A 57 0.437 8.515 -12.002 1.00 54.43 H new ATOM 887 N PRO A 58 3.377 11.455 -7.478 1.00 55.40 N ATOM 888 CA PRO A 58 3.322 12.541 -6.460 1.00 0.25 C ATOM 889 C PRO A 58 1.967 13.281 -6.428 1.00 11.33 C ATOM 890 O PRO A 58 1.360 13.546 -7.479 1.00 74.53 O ATOM 891 CB PRO A 58 4.476 13.494 -6.885 1.00 4.13 C ATOM 892 CG PRO A 58 4.676 13.221 -8.345 1.00 20.35 C ATOM 893 CD PRO A 58 4.404 11.747 -8.516 1.00 51.01 C ATOM 0 HA PRO A 58 3.429 12.149 -5.449 1.00 0.25 H new ATOM 0 HB2 PRO A 58 4.213 14.537 -6.709 1.00 4.13 H new ATOM 0 HB3 PRO A 58 5.384 13.294 -6.317 1.00 4.13 H new ATOM 0 HG2 PRO A 58 3.998 13.819 -8.953 1.00 20.35 H new ATOM 0 HG3 PRO A 58 5.690 13.473 -8.657 1.00 20.35 H new ATOM 0 HD2 PRO A 58 4.037 11.521 -9.517 1.00 51.01 H new ATOM 0 HD3 PRO A 58 5.306 11.153 -8.365 1.00 51.01 H new ATOM 901 N GLY A 59 1.518 13.597 -5.199 1.00 53.22 N ATOM 902 CA GLY A 59 0.269 14.319 -4.970 1.00 72.45 C ATOM 903 C GLY A 59 -0.972 13.461 -5.215 1.00 14.53 C ATOM 904 O GLY A 59 -2.067 13.996 -5.429 1.00 71.22 O ATOM 0 H GLY A 59 2.016 13.356 -4.342 1.00 53.22 H new ATOM 0 HA2 GLY A 59 0.252 14.688 -3.944 1.00 72.45 H new ATOM 0 HA3 GLY A 59 0.235 15.191 -5.623 1.00 72.45 H new ATOM 908 N PHE A 60 -0.799 12.134 -5.178 1.00 3.51 N ATOM 909 CA PHE A 60 -1.850 11.169 -5.507 1.00 51.14 C ATOM 910 C PHE A 60 -1.708 9.922 -4.615 1.00 40.24 C ATOM 911 O PHE A 60 -2.479 9.751 -3.654 1.00 33.44 O ATOM 912 CB PHE A 60 -1.782 10.802 -7.032 1.00 24.42 C ATOM 913 CG PHE A 60 -2.757 9.713 -7.473 1.00 64.32 C ATOM 914 CD1 PHE A 60 -4.130 9.893 -7.348 1.00 73.21 C ATOM 915 CD2 PHE A 60 -2.301 8.492 -7.978 1.00 32.10 C ATOM 916 CE1 PHE A 60 -5.012 8.890 -7.702 1.00 61.43 C ATOM 917 CE2 PHE A 60 -3.188 7.494 -8.332 1.00 24.31 C ATOM 918 CZ PHE A 60 -4.545 7.693 -8.190 1.00 24.41 C ATOM 0 H PHE A 60 0.085 11.698 -4.916 1.00 3.51 H new ATOM 0 HA PHE A 60 -2.828 11.610 -5.315 1.00 51.14 H new ATOM 0 HB2 PHE A 60 -1.975 11.701 -7.617 1.00 24.42 H new ATOM 0 HB3 PHE A 60 -0.768 10.480 -7.269 1.00 24.42 H new ATOM 0 HD1 PHE A 60 -4.512 10.829 -6.969 1.00 73.21 H new ATOM 0 HD2 PHE A 60 -1.240 8.327 -8.093 1.00 32.10 H new ATOM 0 HE1 PHE A 60 -6.075 9.048 -7.595 1.00 61.43 H new ATOM 0 HE2 PHE A 60 -2.818 6.557 -8.721 1.00 24.31 H new ATOM 0 HZ PHE A 60 -5.239 6.911 -8.461 1.00 24.41 H new ATOM 928 N MET A 61 -0.686 9.084 -4.905 1.00 31.31 N ATOM 929 CA MET A 61 -0.610 7.708 -4.368 1.00 13.10 C ATOM 930 C MET A 61 0.777 7.066 -4.631 1.00 23.23 C ATOM 931 O MET A 61 1.334 7.202 -5.719 1.00 71.14 O ATOM 932 CB MET A 61 -1.765 6.861 -4.980 1.00 15.52 C ATOM 933 CG MET A 61 -1.722 5.367 -4.706 1.00 11.11 C ATOM 934 SD MET A 61 -0.477 4.477 -5.673 1.00 61.31 S ATOM 935 CE MET A 61 -1.009 4.752 -7.361 1.00 32.34 C ATOM 0 H MET A 61 0.097 9.338 -5.508 1.00 31.31 H new ATOM 0 HA MET A 61 -0.729 7.740 -3.285 1.00 13.10 H new ATOM 0 HB2 MET A 61 -2.711 7.251 -4.604 1.00 15.52 H new ATOM 0 HB3 MET A 61 -1.764 7.011 -6.060 1.00 15.52 H new ATOM 0 HG2 MET A 61 -1.526 5.208 -3.646 1.00 11.11 H new ATOM 0 HG3 MET A 61 -2.703 4.941 -4.916 1.00 11.11 H new ATOM 0 HE1 MET A 61 -0.845 3.847 -7.946 1.00 32.34 H new ATOM 0 HE2 MET A 61 -2.070 5.004 -7.372 1.00 32.34 H new ATOM 0 HE3 MET A 61 -0.437 5.573 -7.794 1.00 32.34 H new ATOM 945 N CYS A 62 1.319 6.372 -3.602 1.00 12.25 N ATOM 946 CA CYS A 62 2.574 5.585 -3.683 1.00 12.23 C ATOM 947 C CYS A 62 2.278 4.067 -3.529 1.00 50.44 C ATOM 948 O CYS A 62 1.744 3.643 -2.506 1.00 74.12 O ATOM 949 CB CYS A 62 3.549 6.086 -2.590 1.00 35.31 C ATOM 950 SG CYS A 62 2.793 6.326 -0.972 1.00 24.53 S ATOM 0 H CYS A 62 0.890 6.342 -2.677 1.00 12.25 H new ATOM 0 HA CYS A 62 3.036 5.724 -4.660 1.00 12.23 H new ATOM 0 HB2 CYS A 62 4.366 5.371 -2.493 1.00 35.31 H new ATOM 0 HB3 CYS A 62 3.988 7.029 -2.916 1.00 35.31 H new ATOM 0 HG CYS A 62 3.717 6.325 -0.057 1.00 24.53 H new ATOM 956 N GLN A 63 2.656 3.264 -4.548 1.00 61.44 N ATOM 957 CA GLN A 63 2.243 1.839 -4.688 1.00 3.23 C ATOM 958 C GLN A 63 3.461 0.914 -4.873 1.00 53.23 C ATOM 959 O GLN A 63 4.394 1.231 -5.635 1.00 55.22 O ATOM 960 CB GLN A 63 1.280 1.706 -5.903 1.00 4.03 C ATOM 961 CG GLN A 63 0.661 0.314 -6.139 1.00 24.43 C ATOM 962 CD GLN A 63 -0.363 0.309 -7.276 1.00 55.13 C ATOM 963 OE1 GLN A 63 -1.006 1.320 -7.567 1.00 3.04 O ATOM 964 NE2 GLN A 63 -0.541 -0.824 -7.911 1.00 21.12 N ATOM 0 H GLN A 63 3.261 3.583 -5.305 1.00 61.44 H new ATOM 0 HA GLN A 63 1.734 1.533 -3.774 1.00 3.23 H new ATOM 0 HB2 GLN A 63 0.469 2.423 -5.776 1.00 4.03 H new ATOM 0 HB3 GLN A 63 1.823 1.995 -6.803 1.00 4.03 H new ATOM 0 HG2 GLN A 63 1.454 -0.398 -6.367 1.00 24.43 H new ATOM 0 HG3 GLN A 63 0.181 -0.026 -5.221 1.00 24.43 H new ATOM 0 HE21 GLN A 63 0.004 -1.646 -7.650 1.00 21.12 H new ATOM 0 HE22 GLN A 63 -1.225 -0.884 -8.666 1.00 21.12 H new ATOM 973 N GLY A 64 3.434 -0.243 -4.182 1.00 20.23 N ATOM 974 CA GLY A 64 4.524 -1.209 -4.220 1.00 4.44 C ATOM 975 C GLY A 64 4.080 -2.631 -3.906 1.00 12.25 C ATOM 976 O GLY A 64 2.889 -2.961 -4.010 1.00 51.01 O ATOM 0 H GLY A 64 2.654 -0.523 -3.587 1.00 20.23 H new ATOM 0 HA2 GLY A 64 4.983 -1.189 -5.208 1.00 4.44 H new ATOM 0 HA3 GLY A 64 5.291 -0.909 -3.506 1.00 4.44 H new ATOM 980 N GLY A 65 5.057 -3.452 -3.473 1.00 53.30 N ATOM 981 CA GLY A 65 4.890 -4.911 -3.323 1.00 44.43 C ATOM 982 C GLY A 65 5.663 -5.673 -4.390 1.00 14.13 C ATOM 983 O GLY A 65 5.516 -6.891 -4.531 1.00 50.32 O ATOM 0 H GLY A 65 5.987 -3.121 -3.217 1.00 53.30 H new ATOM 0 HA2 GLY A 65 5.233 -5.218 -2.335 1.00 44.43 H new ATOM 0 HA3 GLY A 65 3.832 -5.166 -3.387 1.00 44.43 H new ATOM 987 N ASP A 66 6.568 -4.940 -5.065 1.00 14.41 N ATOM 988 CA ASP A 66 7.252 -5.361 -6.310 1.00 35.22 C ATOM 989 C ASP A 66 8.316 -6.474 -6.070 1.00 53.02 C ATOM 990 O ASP A 66 8.989 -6.920 -7.005 1.00 2.52 O ATOM 991 CB ASP A 66 7.913 -4.086 -6.921 1.00 20.25 C ATOM 992 CG ASP A 66 8.405 -4.247 -8.365 1.00 31.10 C ATOM 993 OD1 ASP A 66 7.565 -4.475 -9.253 1.00 13.02 O ATOM 994 OD2 ASP A 66 9.626 -4.162 -8.621 1.00 30.53 O ATOM 0 H ASP A 66 6.854 -4.012 -4.754 1.00 14.41 H new ATOM 0 HA ASP A 66 6.523 -5.799 -6.992 1.00 35.22 H new ATOM 0 HB2 ASP A 66 7.193 -3.268 -6.886 1.00 20.25 H new ATOM 0 HB3 ASP A 66 8.756 -3.795 -6.295 1.00 20.25 H new ATOM 999 N PHE A 67 8.451 -6.910 -4.808 1.00 72.14 N ATOM 1000 CA PHE A 67 9.452 -7.899 -4.382 1.00 43.31 C ATOM 1001 C PHE A 67 9.079 -9.324 -4.862 1.00 10.33 C ATOM 1002 O PHE A 67 9.716 -9.865 -5.771 1.00 73.31 O ATOM 1003 CB PHE A 67 9.590 -7.848 -2.832 1.00 55.20 C ATOM 1004 CG PHE A 67 10.707 -8.717 -2.253 1.00 12.43 C ATOM 1005 CD1 PHE A 67 12.042 -8.426 -2.531 1.00 13.24 C ATOM 1006 CD2 PHE A 67 10.432 -9.825 -1.441 1.00 52.24 C ATOM 1007 CE1 PHE A 67 13.060 -9.208 -2.021 1.00 60.43 C ATOM 1008 CE2 PHE A 67 11.455 -10.604 -0.931 1.00 61.13 C ATOM 1009 CZ PHE A 67 12.768 -10.298 -1.224 1.00 65.12 C ATOM 0 H PHE A 67 7.860 -6.581 -4.045 1.00 72.14 H new ATOM 0 HA PHE A 67 10.411 -7.652 -4.838 1.00 43.31 H new ATOM 0 HB2 PHE A 67 9.762 -6.814 -2.532 1.00 55.20 H new ATOM 0 HB3 PHE A 67 8.643 -8.156 -2.388 1.00 55.20 H new ATOM 0 HD1 PHE A 67 12.283 -7.577 -3.154 1.00 13.24 H new ATOM 0 HD2 PHE A 67 9.407 -10.074 -1.210 1.00 52.24 H new ATOM 0 HE1 PHE A 67 14.088 -8.966 -2.246 1.00 60.43 H new ATOM 0 HE2 PHE A 67 11.226 -11.452 -0.303 1.00 61.13 H new ATOM 0 HZ PHE A 67 13.566 -10.910 -0.831 1.00 65.12 H new ATOM 1019 N THR A 68 8.029 -9.907 -4.254 1.00 24.24 N ATOM 1020 CA THR A 68 7.656 -11.317 -4.474 1.00 2.33 C ATOM 1021 C THR A 68 6.725 -11.435 -5.701 1.00 25.12 C ATOM 1022 O THR A 68 5.553 -11.025 -5.630 1.00 34.15 O ATOM 1023 CB THR A 68 6.946 -11.898 -3.198 1.00 35.30 C ATOM 1024 OG1 THR A 68 7.637 -11.457 -2.021 1.00 23.41 O ATOM 1025 CG2 THR A 68 6.884 -13.435 -3.208 1.00 34.13 C ATOM 0 H THR A 68 7.418 -9.417 -3.600 1.00 24.24 H new ATOM 0 HA THR A 68 8.562 -11.893 -4.662 1.00 2.33 H new ATOM 0 HB THR A 68 5.921 -11.528 -3.200 1.00 35.30 H new ATOM 0 HG1 THR A 68 7.235 -10.624 -1.698 1.00 23.41 H new ATOM 0 HG21 THR A 68 6.384 -13.785 -2.305 1.00 34.13 H new ATOM 0 HG22 THR A 68 6.328 -13.771 -4.084 1.00 34.13 H new ATOM 0 HG23 THR A 68 7.895 -13.840 -3.243 1.00 34.13 H new ATOM 1033 N ARG A 69 7.277 -12.000 -6.800 1.00 54.23 N ATOM 1034 CA ARG A 69 6.592 -12.207 -8.097 1.00 60.41 C ATOM 1035 C ARG A 69 5.966 -10.898 -8.625 1.00 33.30 C ATOM 1036 O ARG A 69 4.836 -10.553 -8.260 1.00 61.31 O ATOM 1037 CB ARG A 69 5.540 -13.356 -8.019 1.00 11.11 C ATOM 1038 CG ARG A 69 4.806 -13.637 -9.358 1.00 61.44 C ATOM 1039 CD ARG A 69 3.886 -14.868 -9.292 1.00 3.21 C ATOM 1040 NE ARG A 69 3.087 -15.026 -10.524 1.00 23.00 N ATOM 1041 CZ ARG A 69 3.233 -15.990 -11.448 1.00 65.41 C ATOM 1042 NH1 ARG A 69 4.165 -16.931 -11.326 1.00 35.42 N ATOM 1043 NH2 ARG A 69 2.425 -16.007 -12.493 1.00 25.32 N ATOM 0 H ARG A 69 8.241 -12.334 -6.809 1.00 54.23 H new ATOM 0 HA ARG A 69 7.352 -12.516 -8.815 1.00 60.41 H new ATOM 0 HB2 ARG A 69 6.038 -14.269 -7.692 1.00 11.11 H new ATOM 0 HB3 ARG A 69 4.801 -13.106 -7.258 1.00 11.11 H new ATOM 0 HG2 ARG A 69 4.215 -12.763 -9.633 1.00 61.44 H new ATOM 0 HG3 ARG A 69 5.544 -13.784 -10.147 1.00 61.44 H new ATOM 0 HD2 ARG A 69 4.488 -15.763 -9.133 1.00 3.21 H new ATOM 0 HD3 ARG A 69 3.218 -14.776 -8.436 1.00 3.21 H new ATOM 0 HE ARG A 69 2.354 -14.337 -10.689 1.00 23.00 H new ATOM 0 HH11 ARG A 69 4.788 -16.931 -10.518 1.00 35.42 H new ATOM 0 HH12 ARG A 69 4.257 -17.653 -12.040 1.00 35.42 H new ATOM 0 HH21 ARG A 69 1.702 -15.294 -12.590 1.00 25.32 H new ATOM 0 HH22 ARG A 69 2.524 -16.733 -13.203 1.00 25.32 H new ATOM 1057 N HIS A 70 6.708 -10.162 -9.473 1.00 42.03 N ATOM 1058 CA HIS A 70 6.250 -8.857 -10.002 1.00 34.53 C ATOM 1059 C HIS A 70 5.925 -8.902 -11.506 1.00 4.42 C ATOM 1060 O HIS A 70 5.704 -7.855 -12.119 1.00 73.33 O ATOM 1061 CB HIS A 70 7.263 -7.735 -9.649 1.00 23.25 C ATOM 1062 CG HIS A 70 8.614 -7.770 -10.323 1.00 22.33 C ATOM 1063 ND1 HIS A 70 9.366 -6.633 -10.517 1.00 51.35 N ATOM 1064 CD2 HIS A 70 9.363 -8.789 -10.800 1.00 70.30 C ATOM 1065 CE1 HIS A 70 10.506 -6.949 -11.081 1.00 4.20 C ATOM 1066 NE2 HIS A 70 10.534 -8.254 -11.261 1.00 13.44 N ATOM 0 H HIS A 70 7.628 -10.446 -9.809 1.00 42.03 H new ATOM 0 HA HIS A 70 5.307 -8.621 -9.509 1.00 34.53 H new ATOM 0 HB2 HIS A 70 6.797 -6.777 -9.882 1.00 23.25 H new ATOM 0 HB3 HIS A 70 7.425 -7.757 -8.571 1.00 23.25 H new ATOM 0 HD2 HIS A 70 9.087 -9.833 -10.814 1.00 70.30 H new ATOM 0 HE1 HIS A 70 11.290 -6.257 -11.352 1.00 4.20 H new ATOM 0 HE2 HIS A 70 11.303 -8.779 -11.676 1.00 13.44 H new ATOM 1075 N ASN A 71 5.853 -10.114 -12.088 1.00 40.54 N ATOM 1076 CA ASN A 71 5.372 -10.307 -13.471 1.00 64.11 C ATOM 1077 C ASN A 71 3.837 -10.434 -13.453 1.00 14.30 C ATOM 1078 O ASN A 71 3.296 -11.536 -13.290 1.00 22.30 O ATOM 1079 CB ASN A 71 6.022 -11.552 -14.142 1.00 42.31 C ATOM 1080 CG ASN A 71 7.527 -11.392 -14.408 1.00 42.30 C ATOM 1081 OD1 ASN A 71 8.363 -11.730 -13.572 1.00 51.12 O ATOM 1082 ND2 ASN A 71 7.891 -10.875 -15.570 1.00 63.02 N ATOM 0 H ASN A 71 6.123 -10.979 -11.620 1.00 40.54 H new ATOM 0 HA ASN A 71 5.664 -9.442 -14.066 1.00 64.11 H new ATOM 0 HB2 ASN A 71 5.865 -12.422 -13.504 1.00 42.31 H new ATOM 0 HB3 ASN A 71 5.514 -11.753 -15.085 1.00 42.31 H new ATOM 0 HD21 ASN A 71 8.880 -10.751 -15.785 1.00 63.02 H new ATOM 0 HD22 ASN A 71 7.182 -10.601 -16.251 1.00 63.02 H new ATOM 1089 N GLY A 72 3.157 -9.271 -13.540 1.00 33.21 N ATOM 1090 CA GLY A 72 1.691 -9.201 -13.612 1.00 34.11 C ATOM 1091 C GLY A 72 0.993 -9.587 -12.312 1.00 74.12 C ATOM 1092 O GLY A 72 -0.131 -10.098 -12.327 1.00 72.04 O ATOM 0 H GLY A 72 3.612 -8.359 -13.562 1.00 33.21 H new ATOM 0 HA2 GLY A 72 1.398 -8.187 -13.884 1.00 34.11 H new ATOM 0 HA3 GLY A 72 1.344 -9.858 -14.409 1.00 34.11 H new ATOM 1096 N THR A 73 1.674 -9.344 -11.185 1.00 61.32 N ATOM 1097 CA THR A 73 1.153 -9.611 -9.834 1.00 64.23 C ATOM 1098 C THR A 73 1.650 -8.498 -8.882 1.00 44.13 C ATOM 1099 O THR A 73 0.844 -7.730 -8.359 1.00 14.33 O ATOM 1100 CB THR A 73 1.599 -11.025 -9.320 1.00 51.23 C ATOM 1101 OG1 THR A 73 1.212 -12.040 -10.259 1.00 65.24 O ATOM 1102 CG2 THR A 73 1.005 -11.368 -7.943 1.00 51.52 C ATOM 0 H THR A 73 2.615 -8.951 -11.184 1.00 61.32 H new ATOM 0 HA THR A 73 0.063 -9.611 -9.863 1.00 64.23 H new ATOM 0 HB THR A 73 2.684 -10.992 -9.220 1.00 51.23 H new ATOM 0 HG1 THR A 73 1.198 -12.912 -9.811 1.00 65.24 H new ATOM 0 HG21 THR A 73 1.346 -12.357 -7.636 1.00 51.52 H new ATOM 0 HG22 THR A 73 1.331 -10.628 -7.212 1.00 51.52 H new ATOM 0 HG23 THR A 73 -0.083 -11.362 -8.005 1.00 51.52 H new ATOM 1110 N GLY A 74 2.991 -8.439 -8.687 1.00 73.44 N ATOM 1111 CA GLY A 74 3.667 -7.353 -7.955 1.00 73.51 C ATOM 1112 C GLY A 74 3.171 -7.121 -6.534 1.00 44.31 C ATOM 1113 O GLY A 74 3.043 -5.968 -6.113 1.00 11.44 O ATOM 0 H GLY A 74 3.632 -9.151 -9.038 1.00 73.44 H new ATOM 0 HA2 GLY A 74 4.734 -7.571 -7.919 1.00 73.51 H new ATOM 0 HA3 GLY A 74 3.549 -6.428 -8.519 1.00 73.51 H new ATOM 1117 N GLY A 75 2.907 -8.210 -5.788 1.00 15.01 N ATOM 1118 CA GLY A 75 2.327 -8.105 -4.443 1.00 24.30 C ATOM 1119 C GLY A 75 1.310 -9.197 -4.180 1.00 4.20 C ATOM 1120 O GLY A 75 0.170 -8.908 -3.793 1.00 22.12 O ATOM 0 H GLY A 75 3.086 -9.166 -6.095 1.00 15.01 H new ATOM 0 HA2 GLY A 75 3.122 -8.162 -3.699 1.00 24.30 H new ATOM 0 HA3 GLY A 75 1.852 -7.131 -4.327 1.00 24.30 H new ATOM 1124 N LYS A 76 1.721 -10.452 -4.439 1.00 12.53 N ATOM 1125 CA LYS A 76 0.863 -11.639 -4.261 1.00 74.33 C ATOM 1126 C LYS A 76 0.364 -11.783 -2.810 1.00 12.15 C ATOM 1127 O LYS A 76 1.059 -11.424 -1.855 1.00 41.21 O ATOM 1128 CB LYS A 76 1.598 -12.929 -4.714 1.00 43.42 C ATOM 1129 CG LYS A 76 2.952 -13.200 -4.019 1.00 13.32 C ATOM 1130 CD LYS A 76 3.607 -14.544 -4.440 1.00 33.44 C ATOM 1131 CE LYS A 76 2.957 -15.786 -3.796 1.00 31.14 C ATOM 1132 NZ LYS A 76 1.573 -16.051 -4.266 1.00 23.14 N ATOM 0 H LYS A 76 2.658 -10.672 -4.778 1.00 12.53 H new ATOM 0 HA LYS A 76 -0.012 -11.495 -4.894 1.00 74.33 H new ATOM 0 HB2 LYS A 76 0.942 -13.781 -4.538 1.00 43.42 H new ATOM 0 HB3 LYS A 76 1.766 -12.872 -5.790 1.00 43.42 H new ATOM 0 HG2 LYS A 76 3.638 -12.384 -4.246 1.00 13.32 H new ATOM 0 HG3 LYS A 76 2.803 -13.200 -2.939 1.00 13.32 H new ATOM 0 HD2 LYS A 76 3.553 -14.639 -5.524 1.00 33.44 H new ATOM 0 HD3 LYS A 76 4.664 -14.521 -4.174 1.00 33.44 H new ATOM 0 HE2 LYS A 76 3.575 -16.658 -4.007 1.00 31.14 H new ATOM 0 HE3 LYS A 76 2.945 -15.658 -2.714 1.00 31.14 H new ATOM 0 HZ1 LYS A 76 1.390 -17.075 -4.247 1.00 23.14 H new ATOM 0 HZ2 LYS A 76 0.896 -15.567 -3.642 1.00 23.14 H new ATOM 0 HZ3 LYS A 76 1.463 -15.697 -5.238 1.00 23.14 H new ATOM 1146 N SER A 77 -0.844 -12.331 -2.674 1.00 44.33 N ATOM 1147 CA SER A 77 -1.572 -12.378 -1.406 1.00 72.44 C ATOM 1148 C SER A 77 -1.421 -13.738 -0.707 1.00 30.14 C ATOM 1149 O SER A 77 -0.730 -14.643 -1.192 1.00 64.34 O ATOM 1150 CB SER A 77 -3.056 -12.071 -1.687 1.00 72.24 C ATOM 1151 OG SER A 77 -3.632 -13.032 -2.560 1.00 15.14 O ATOM 0 H SER A 77 -1.350 -12.759 -3.449 1.00 44.33 H new ATOM 0 HA SER A 77 -1.154 -11.633 -0.729 1.00 72.44 H new ATOM 0 HB2 SER A 77 -3.609 -12.054 -0.748 1.00 72.24 H new ATOM 0 HB3 SER A 77 -3.146 -11.078 -2.128 1.00 72.24 H new ATOM 0 HG SER A 77 -2.956 -13.697 -2.806 1.00 15.14 H new ATOM 1157 N ILE A 78 -2.094 -13.860 0.448 1.00 34.02 N ATOM 1158 CA ILE A 78 -2.161 -15.110 1.222 1.00 40.34 C ATOM 1159 C ILE A 78 -3.127 -16.121 0.560 1.00 1.31 C ATOM 1160 O ILE A 78 -3.132 -17.300 0.911 1.00 30.43 O ATOM 1161 CB ILE A 78 -2.582 -14.828 2.716 1.00 74.40 C ATOM 1162 CG1 ILE A 78 -4.071 -14.371 2.820 1.00 32.22 C ATOM 1163 CG2 ILE A 78 -1.638 -13.772 3.346 1.00 53.34 C ATOM 1164 CD1 ILE A 78 -4.598 -14.193 4.241 1.00 75.45 C ATOM 0 H ILE A 78 -2.610 -13.090 0.874 1.00 34.02 H new ATOM 0 HA ILE A 78 -1.164 -15.551 1.230 1.00 40.34 H new ATOM 0 HB ILE A 78 -2.490 -15.761 3.272 1.00 74.40 H new ATOM 0 HG12 ILE A 78 -4.183 -13.427 2.287 1.00 32.22 H new ATOM 0 HG13 ILE A 78 -4.696 -15.102 2.307 1.00 32.22 H new ATOM 0 HG21 ILE A 78 -1.938 -13.585 4.377 1.00 53.34 H new ATOM 0 HG22 ILE A 78 -0.613 -14.143 3.328 1.00 53.34 H new ATOM 0 HG23 ILE A 78 -1.698 -12.844 2.777 1.00 53.34 H new ATOM 0 HD11 ILE A 78 -5.640 -13.874 4.205 1.00 75.45 H new ATOM 0 HD12 ILE A 78 -4.526 -15.139 4.777 1.00 75.45 H new ATOM 0 HD13 ILE A 78 -4.005 -13.438 4.757 1.00 75.45 H new ATOM 1176 N TYR A 79 -3.931 -15.632 -0.411 1.00 21.52 N ATOM 1177 CA TYR A 79 -4.853 -16.459 -1.220 1.00 3.35 C ATOM 1178 C TYR A 79 -4.200 -16.808 -2.578 1.00 50.25 C ATOM 1179 O TYR A 79 -4.897 -17.145 -3.547 1.00 70.42 O ATOM 1180 CB TYR A 79 -6.188 -15.688 -1.439 1.00 4.22 C ATOM 1181 CG TYR A 79 -6.966 -15.381 -0.147 1.00 34.42 C ATOM 1182 CD1 TYR A 79 -7.852 -16.312 0.407 1.00 64.44 C ATOM 1183 CD2 TYR A 79 -6.817 -14.162 0.522 1.00 12.33 C ATOM 1184 CE1 TYR A 79 -8.556 -16.032 1.563 1.00 43.35 C ATOM 1185 CE2 TYR A 79 -7.517 -13.885 1.675 1.00 12.34 C ATOM 1186 CZ TYR A 79 -8.383 -14.821 2.193 1.00 1.11 C ATOM 1187 OH TYR A 79 -9.086 -14.534 3.346 1.00 24.11 O ATOM 0 H TYR A 79 -3.958 -14.642 -0.657 1.00 21.52 H new ATOM 0 HA TYR A 79 -5.064 -17.388 -0.691 1.00 3.35 H new ATOM 0 HB2 TYR A 79 -5.972 -14.750 -1.950 1.00 4.22 H new ATOM 0 HB3 TYR A 79 -6.826 -16.272 -2.102 1.00 4.22 H new ATOM 0 HD1 TYR A 79 -7.988 -17.267 -0.078 1.00 64.44 H new ATOM 0 HD2 TYR A 79 -6.138 -13.422 0.126 1.00 12.33 H new ATOM 0 HE1 TYR A 79 -9.240 -16.762 1.971 1.00 43.35 H new ATOM 0 HE2 TYR A 79 -7.387 -12.935 2.172 1.00 12.34 H new ATOM 0 HH TYR A 79 -8.561 -13.924 3.906 1.00 24.11 H new ATOM 1197 N GLY A 80 -2.856 -16.744 -2.624 1.00 71.14 N ATOM 1198 CA GLY A 80 -2.088 -16.994 -3.837 1.00 30.44 C ATOM 1199 C GLY A 80 -1.743 -15.694 -4.536 1.00 42.05 C ATOM 1200 O GLY A 80 -0.969 -14.895 -4.002 1.00 12.14 O ATOM 0 H GLY A 80 -2.280 -16.516 -1.814 1.00 71.14 H new ATOM 0 HA2 GLY A 80 -1.173 -17.532 -3.589 1.00 30.44 H new ATOM 0 HA3 GLY A 80 -2.661 -17.633 -4.510 1.00 30.44 H new ATOM 1204 N GLU A 81 -2.333 -15.459 -5.714 1.00 25.40 N ATOM 1205 CA GLU A 81 -2.091 -14.240 -6.502 1.00 72.31 C ATOM 1206 C GLU A 81 -2.889 -13.059 -5.921 1.00 44.21 C ATOM 1207 O GLU A 81 -2.313 -12.064 -5.462 1.00 45.34 O ATOM 1208 CB GLU A 81 -2.465 -14.488 -7.988 1.00 54.42 C ATOM 1209 CG GLU A 81 -2.328 -13.249 -8.902 1.00 24.01 C ATOM 1210 CD GLU A 81 -2.652 -13.539 -10.374 1.00 24.32 C ATOM 1211 OE1 GLU A 81 -3.767 -14.031 -10.657 1.00 3.35 O ATOM 1212 OE2 GLU A 81 -1.788 -13.305 -11.248 1.00 30.24 O ATOM 0 H GLU A 81 -2.991 -16.106 -6.149 1.00 25.40 H new ATOM 0 HA GLU A 81 -1.032 -13.987 -6.451 1.00 72.31 H new ATOM 0 HB2 GLU A 81 -1.832 -15.284 -8.380 1.00 54.42 H new ATOM 0 HB3 GLU A 81 -3.493 -14.846 -8.035 1.00 54.42 H new ATOM 0 HG2 GLU A 81 -2.992 -12.464 -8.539 1.00 24.01 H new ATOM 0 HG3 GLU A 81 -1.311 -12.865 -8.830 1.00 24.01 H new ATOM 1219 N LYS A 82 -4.216 -13.225 -5.888 1.00 41.21 N ATOM 1220 CA LYS A 82 -5.172 -12.151 -5.550 1.00 52.15 C ATOM 1221 C LYS A 82 -6.529 -12.764 -5.156 1.00 12.22 C ATOM 1222 O LYS A 82 -6.693 -13.988 -5.182 1.00 32.00 O ATOM 1223 CB LYS A 82 -5.320 -11.179 -6.753 1.00 74.41 C ATOM 1224 CG LYS A 82 -5.765 -11.868 -8.058 1.00 51.34 C ATOM 1225 CD LYS A 82 -5.764 -10.916 -9.265 1.00 2.30 C ATOM 1226 CE LYS A 82 -6.175 -11.613 -10.568 1.00 70.34 C ATOM 1227 NZ LYS A 82 -7.499 -12.290 -10.453 1.00 62.13 N ATOM 0 H LYS A 82 -4.667 -14.116 -6.097 1.00 41.21 H new ATOM 0 HA LYS A 82 -4.797 -11.582 -4.699 1.00 52.15 H new ATOM 0 HB2 LYS A 82 -6.044 -10.406 -6.496 1.00 74.41 H new ATOM 0 HB3 LYS A 82 -4.367 -10.679 -6.924 1.00 74.41 H new ATOM 0 HG2 LYS A 82 -5.102 -12.709 -8.264 1.00 51.34 H new ATOM 0 HG3 LYS A 82 -6.767 -12.277 -7.924 1.00 51.34 H new ATOM 0 HD2 LYS A 82 -6.445 -10.088 -9.070 1.00 2.30 H new ATOM 0 HD3 LYS A 82 -4.769 -10.488 -9.385 1.00 2.30 H new ATOM 0 HE2 LYS A 82 -6.213 -10.880 -11.374 1.00 70.34 H new ATOM 0 HE3 LYS A 82 -5.416 -12.347 -10.840 1.00 70.34 H new ATOM 0 HZ1 LYS A 82 -7.945 -12.342 -11.391 1.00 62.13 H new ATOM 0 HZ2 LYS A 82 -7.366 -13.251 -10.079 1.00 62.13 H new ATOM 0 HZ3 LYS A 82 -8.110 -11.750 -9.808 1.00 62.13 H new ATOM 1241 N PHE A 83 -7.485 -11.894 -4.793 1.00 40.30 N ATOM 1242 CA PHE A 83 -8.819 -12.280 -4.298 1.00 53.41 C ATOM 1243 C PHE A 83 -9.874 -11.198 -4.615 1.00 35.24 C ATOM 1244 O PHE A 83 -9.563 -10.132 -5.161 1.00 42.13 O ATOM 1245 CB PHE A 83 -8.765 -12.587 -2.770 1.00 43.20 C ATOM 1246 CG PHE A 83 -8.134 -11.493 -1.899 1.00 41.11 C ATOM 1247 CD1 PHE A 83 -8.900 -10.466 -1.353 1.00 64.21 C ATOM 1248 CD2 PHE A 83 -6.775 -11.512 -1.606 1.00 5.53 C ATOM 1249 CE1 PHE A 83 -8.335 -9.496 -0.552 1.00 3.44 C ATOM 1250 CE2 PHE A 83 -6.211 -10.548 -0.799 1.00 34.41 C ATOM 1251 CZ PHE A 83 -6.990 -9.540 -0.269 1.00 72.13 C ATOM 0 H PHE A 83 -7.351 -10.884 -4.836 1.00 40.30 H new ATOM 0 HA PHE A 83 -9.123 -13.188 -4.818 1.00 53.41 H new ATOM 0 HB2 PHE A 83 -9.780 -12.768 -2.417 1.00 43.20 H new ATOM 0 HB3 PHE A 83 -8.207 -13.512 -2.622 1.00 43.20 H new ATOM 0 HD1 PHE A 83 -9.959 -10.428 -1.561 1.00 64.21 H new ATOM 0 HD2 PHE A 83 -6.153 -12.293 -2.017 1.00 5.53 H new ATOM 0 HE1 PHE A 83 -8.947 -8.704 -0.148 1.00 3.44 H new ATOM 0 HE2 PHE A 83 -5.154 -10.582 -0.580 1.00 34.41 H new ATOM 0 HZ PHE A 83 -6.545 -8.788 0.366 1.00 72.13 H new ATOM 1261 N GLU A 84 -11.136 -11.522 -4.304 1.00 61.11 N ATOM 1262 CA GLU A 84 -12.275 -10.599 -4.454 1.00 51.41 C ATOM 1263 C GLU A 84 -12.381 -9.657 -3.236 1.00 71.31 C ATOM 1264 O GLU A 84 -11.851 -9.955 -2.155 1.00 74.20 O ATOM 1265 CB GLU A 84 -13.580 -11.416 -4.638 1.00 11.50 C ATOM 1266 CG GLU A 84 -13.973 -12.277 -3.416 1.00 72.42 C ATOM 1267 CD GLU A 84 -15.246 -13.092 -3.655 1.00 72.14 C ATOM 1268 OE1 GLU A 84 -16.353 -12.525 -3.556 1.00 10.21 O ATOM 1269 OE2 GLU A 84 -15.146 -14.292 -3.983 1.00 72.41 O ATOM 0 H GLU A 84 -11.400 -12.437 -3.939 1.00 61.11 H new ATOM 0 HA GLU A 84 -12.118 -9.979 -5.336 1.00 51.41 H new ATOM 0 HB2 GLU A 84 -14.396 -10.729 -4.860 1.00 11.50 H new ATOM 0 HB3 GLU A 84 -13.467 -12.067 -5.505 1.00 11.50 H new ATOM 0 HG2 GLU A 84 -13.153 -12.953 -3.174 1.00 72.42 H new ATOM 0 HG3 GLU A 84 -14.118 -11.629 -2.551 1.00 72.42 H new ATOM 1276 N ASP A 85 -13.088 -8.536 -3.428 1.00 11.32 N ATOM 1277 CA ASP A 85 -13.315 -7.525 -2.385 1.00 32.23 C ATOM 1278 C ASP A 85 -14.116 -8.114 -1.221 1.00 72.23 C ATOM 1279 O ASP A 85 -15.104 -8.823 -1.434 1.00 20.15 O ATOM 1280 CB ASP A 85 -14.048 -6.296 -2.989 1.00 20.53 C ATOM 1281 CG ASP A 85 -13.154 -5.519 -3.966 1.00 2.13 C ATOM 1282 OD1 ASP A 85 -12.111 -5.023 -3.524 1.00 51.03 O ATOM 1283 OD2 ASP A 85 -13.472 -5.430 -5.173 1.00 42.34 O ATOM 0 H ASP A 85 -13.523 -8.302 -4.320 1.00 11.32 H new ATOM 0 HA ASP A 85 -12.349 -7.202 -1.997 1.00 32.23 H new ATOM 0 HB2 ASP A 85 -14.948 -6.628 -3.506 1.00 20.53 H new ATOM 0 HB3 ASP A 85 -14.369 -5.633 -2.185 1.00 20.53 H new ATOM 1288 N GLU A 86 -13.659 -7.839 0.006 1.00 55.04 N ATOM 1289 CA GLU A 86 -14.326 -8.318 1.220 1.00 60.42 C ATOM 1290 C GLU A 86 -15.590 -7.476 1.490 1.00 4.32 C ATOM 1291 O GLU A 86 -16.716 -7.986 1.408 1.00 60.41 O ATOM 1292 CB GLU A 86 -13.328 -8.274 2.418 1.00 34.53 C ATOM 1293 CG GLU A 86 -13.918 -8.667 3.797 1.00 32.14 C ATOM 1294 CD GLU A 86 -14.508 -10.086 3.852 1.00 20.00 C ATOM 1295 OE1 GLU A 86 -15.712 -10.264 3.573 1.00 13.44 O ATOM 1296 OE2 GLU A 86 -13.783 -11.028 4.201 1.00 73.41 O ATOM 0 H GLU A 86 -12.823 -7.282 0.184 1.00 55.04 H new ATOM 0 HA GLU A 86 -14.642 -9.353 1.088 1.00 60.42 H new ATOM 0 HB2 GLU A 86 -12.494 -8.940 2.197 1.00 34.53 H new ATOM 0 HB3 GLU A 86 -12.921 -7.266 2.491 1.00 34.53 H new ATOM 0 HG2 GLU A 86 -13.136 -8.582 4.551 1.00 32.14 H new ATOM 0 HG3 GLU A 86 -14.696 -7.952 4.063 1.00 32.14 H new ATOM 1303 N ASN A 87 -15.387 -6.168 1.710 1.00 42.32 N ATOM 1304 CA ASN A 87 -16.455 -5.236 2.125 1.00 32.50 C ATOM 1305 C ASN A 87 -15.958 -3.780 2.034 1.00 34.32 C ATOM 1306 O ASN A 87 -14.759 -3.515 2.132 1.00 11.40 O ATOM 1307 CB ASN A 87 -16.952 -5.565 3.567 1.00 11.34 C ATOM 1308 CG ASN A 87 -15.856 -5.495 4.637 1.00 60.21 C ATOM 1309 OD1 ASN A 87 -14.671 -5.642 4.357 1.00 12.12 O ATOM 1310 ND2 ASN A 87 -16.245 -5.331 5.873 1.00 11.04 N ATOM 0 H ASN A 87 -14.476 -5.722 1.606 1.00 42.32 H new ATOM 0 HA ASN A 87 -17.300 -5.355 1.446 1.00 32.50 H new ATOM 0 HB2 ASN A 87 -17.749 -4.871 3.832 1.00 11.34 H new ATOM 0 HB3 ASN A 87 -17.386 -6.565 3.571 1.00 11.34 H new ATOM 0 HD21 ASN A 87 -15.558 -5.323 6.627 1.00 11.04 H new ATOM 0 HD22 ASN A 87 -17.236 -5.210 6.084 1.00 11.04 H new ATOM 1317 N PHE A 88 -16.905 -2.844 1.877 1.00 51.20 N ATOM 1318 CA PHE A 88 -16.619 -1.430 1.551 1.00 61.14 C ATOM 1319 C PHE A 88 -16.901 -0.509 2.749 1.00 44.20 C ATOM 1320 O PHE A 88 -17.295 0.652 2.566 1.00 42.11 O ATOM 1321 CB PHE A 88 -17.477 -1.023 0.322 1.00 11.53 C ATOM 1322 CG PHE A 88 -17.275 -1.927 -0.895 1.00 52.32 C ATOM 1323 CD1 PHE A 88 -16.174 -1.759 -1.729 1.00 12.21 C ATOM 1324 CD2 PHE A 88 -18.173 -2.958 -1.194 1.00 50.34 C ATOM 1325 CE1 PHE A 88 -15.976 -2.588 -2.820 1.00 33.51 C ATOM 1326 CE2 PHE A 88 -17.971 -3.780 -2.288 1.00 75.54 C ATOM 1327 CZ PHE A 88 -16.871 -3.594 -3.100 1.00 3.10 C ATOM 0 H PHE A 88 -17.901 -3.044 1.972 1.00 51.20 H new ATOM 0 HA PHE A 88 -15.561 -1.322 1.314 1.00 61.14 H new ATOM 0 HB2 PHE A 88 -18.530 -1.038 0.604 1.00 11.53 H new ATOM 0 HB3 PHE A 88 -17.236 0.003 0.045 1.00 11.53 H new ATOM 0 HD1 PHE A 88 -15.464 -0.971 -1.523 1.00 12.21 H new ATOM 0 HD2 PHE A 88 -19.035 -3.114 -0.562 1.00 50.34 H new ATOM 0 HE1 PHE A 88 -15.114 -2.444 -3.455 1.00 33.51 H new ATOM 0 HE2 PHE A 88 -18.675 -4.569 -2.507 1.00 75.54 H new ATOM 0 HZ PHE A 88 -16.713 -4.237 -3.953 1.00 3.10 H new ATOM 1337 N ILE A 89 -16.668 -1.032 3.970 1.00 65.10 N ATOM 1338 CA ILE A 89 -16.768 -0.248 5.224 1.00 40.40 C ATOM 1339 C ILE A 89 -15.764 0.925 5.182 1.00 3.35 C ATOM 1340 O ILE A 89 -16.106 2.079 5.478 1.00 2.34 O ATOM 1341 CB ILE A 89 -16.488 -1.143 6.501 1.00 42.12 C ATOM 1342 CG1 ILE A 89 -17.546 -2.286 6.628 1.00 21.33 C ATOM 1343 CG2 ILE A 89 -16.443 -0.291 7.797 1.00 3.43 C ATOM 1344 CD1 ILE A 89 -17.389 -3.177 7.861 1.00 64.12 C ATOM 0 H ILE A 89 -16.406 -2.007 4.117 1.00 65.10 H new ATOM 0 HA ILE A 89 -17.786 0.133 5.301 1.00 40.40 H new ATOM 0 HB ILE A 89 -15.506 -1.598 6.369 1.00 42.12 H new ATOM 0 HG12 ILE A 89 -18.540 -1.840 6.645 1.00 21.33 H new ATOM 0 HG13 ILE A 89 -17.492 -2.911 5.737 1.00 21.33 H new ATOM 0 HG21 ILE A 89 -16.249 -0.939 8.652 1.00 3.43 H new ATOM 0 HG22 ILE A 89 -15.649 0.452 7.717 1.00 3.43 H new ATOM 0 HG23 ILE A 89 -17.399 0.214 7.934 1.00 3.43 H new ATOM 0 HD11 ILE A 89 -18.168 -3.939 7.861 1.00 64.12 H new ATOM 0 HD12 ILE A 89 -16.411 -3.658 7.840 1.00 64.12 H new ATOM 0 HD13 ILE A 89 -17.476 -2.570 8.762 1.00 64.12 H new ATOM 1356 N LEU A 90 -14.529 0.599 4.788 1.00 14.30 N ATOM 1357 CA LEU A 90 -13.442 1.566 4.663 1.00 72.31 C ATOM 1358 C LEU A 90 -13.336 2.045 3.206 1.00 60.44 C ATOM 1359 O LEU A 90 -13.275 1.232 2.275 1.00 41.14 O ATOM 1360 CB LEU A 90 -12.122 0.926 5.143 1.00 0.45 C ATOM 1361 CG LEU A 90 -12.065 0.521 6.647 1.00 62.51 C ATOM 1362 CD1 LEU A 90 -10.759 -0.231 6.962 1.00 62.32 C ATOM 1363 CD2 LEU A 90 -12.243 1.754 7.565 1.00 73.13 C ATOM 0 H LEU A 90 -14.257 -0.354 4.545 1.00 14.30 H new ATOM 0 HA LEU A 90 -13.646 2.435 5.289 1.00 72.31 H new ATOM 0 HB2 LEU A 90 -11.932 0.037 4.541 1.00 0.45 H new ATOM 0 HB3 LEU A 90 -11.309 1.625 4.945 1.00 0.45 H new ATOM 0 HG LEU A 90 -12.895 -0.156 6.846 1.00 62.51 H new ATOM 0 HD11 LEU A 90 -10.742 -0.504 8.017 1.00 62.32 H new ATOM 0 HD12 LEU A 90 -10.703 -1.133 6.353 1.00 62.32 H new ATOM 0 HD13 LEU A 90 -9.907 0.411 6.739 1.00 62.32 H new ATOM 0 HD21 LEU A 90 -12.199 1.440 8.608 1.00 73.13 H new ATOM 0 HD22 LEU A 90 -11.447 2.472 7.368 1.00 73.13 H new ATOM 0 HD23 LEU A 90 -13.209 2.219 7.367 1.00 73.13 H new ATOM 1375 N LYS A 91 -13.326 3.371 3.034 1.00 54.31 N ATOM 1376 CA LYS A 91 -13.243 4.037 1.724 1.00 31.15 C ATOM 1377 C LYS A 91 -12.201 5.168 1.770 1.00 1.22 C ATOM 1378 O LYS A 91 -11.672 5.504 2.838 1.00 53.41 O ATOM 1379 CB LYS A 91 -14.633 4.576 1.291 1.00 34.24 C ATOM 1380 CG LYS A 91 -15.320 5.510 2.316 1.00 4.32 C ATOM 1381 CD LYS A 91 -16.548 6.257 1.733 1.00 24.15 C ATOM 1382 CE LYS A 91 -17.604 5.321 1.123 1.00 12.13 C ATOM 1383 NZ LYS A 91 -18.808 6.069 0.667 1.00 75.24 N ATOM 0 H LYS A 91 -13.376 4.026 3.814 1.00 54.31 H new ATOM 0 HA LYS A 91 -12.925 3.306 0.980 1.00 31.15 H new ATOM 0 HB2 LYS A 91 -14.520 5.114 0.350 1.00 34.24 H new ATOM 0 HB3 LYS A 91 -15.290 3.728 1.097 1.00 34.24 H new ATOM 0 HG2 LYS A 91 -15.636 4.923 3.179 1.00 4.32 H new ATOM 0 HG3 LYS A 91 -14.595 6.240 2.675 1.00 4.32 H new ATOM 0 HD2 LYS A 91 -17.011 6.849 2.522 1.00 24.15 H new ATOM 0 HD3 LYS A 91 -16.209 6.956 0.968 1.00 24.15 H new ATOM 0 HE2 LYS A 91 -17.170 4.783 0.280 1.00 12.13 H new ATOM 0 HE3 LYS A 91 -17.898 4.574 1.861 1.00 12.13 H new ATOM 0 HZ1 LYS A 91 -19.497 5.404 0.262 1.00 75.24 H new ATOM 0 HZ2 LYS A 91 -19.237 6.562 1.476 1.00 75.24 H new ATOM 0 HZ3 LYS A 91 -18.532 6.764 -0.056 1.00 75.24 H new ATOM 1397 N HIS A 92 -11.910 5.743 0.591 1.00 11.13 N ATOM 1398 CA HIS A 92 -10.878 6.783 0.405 1.00 23.05 C ATOM 1399 C HIS A 92 -11.470 8.179 0.706 1.00 50.25 C ATOM 1400 O HIS A 92 -11.326 9.127 -0.079 1.00 41.21 O ATOM 1401 CB HIS A 92 -10.328 6.707 -1.046 1.00 22.31 C ATOM 1402 CG HIS A 92 -9.795 5.355 -1.454 1.00 50.33 C ATOM 1403 ND1 HIS A 92 -8.461 5.116 -1.689 1.00 52.43 N ATOM 1404 CD2 HIS A 92 -10.427 4.169 -1.686 1.00 13.03 C ATOM 1405 CE1 HIS A 92 -8.293 3.857 -2.032 1.00 20.22 C ATOM 1406 NE2 HIS A 92 -9.465 3.254 -2.040 1.00 64.35 N ATOM 0 H HIS A 92 -12.391 5.496 -0.274 1.00 11.13 H new ATOM 0 HA HIS A 92 -10.055 6.613 1.099 1.00 23.05 H new ATOM 0 HB2 HIS A 92 -11.123 6.991 -1.736 1.00 22.31 H new ATOM 0 HB3 HIS A 92 -9.532 7.443 -1.156 1.00 22.31 H new ATOM 0 HD2 HIS A 92 -11.488 3.983 -1.606 1.00 13.03 H new ATOM 0 HE1 HIS A 92 -7.347 3.392 -2.269 1.00 20.22 H new ATOM 0 HE2 HIS A 92 -9.630 2.274 -2.270 1.00 64.35 H new ATOM 1415 N THR A 93 -12.127 8.291 1.870 1.00 33.15 N ATOM 1416 CA THR A 93 -12.822 9.516 2.311 1.00 15.30 C ATOM 1417 C THR A 93 -11.877 10.453 3.104 1.00 0.53 C ATOM 1418 O THR A 93 -12.299 11.504 3.602 1.00 30.31 O ATOM 1419 CB THR A 93 -14.098 9.129 3.143 1.00 0.25 C ATOM 1420 OG1 THR A 93 -14.843 10.291 3.543 1.00 54.15 O ATOM 1421 CG2 THR A 93 -13.745 8.287 4.382 1.00 25.14 C ATOM 0 H THR A 93 -12.193 7.526 2.542 1.00 33.15 H new ATOM 0 HA THR A 93 -13.141 10.075 1.431 1.00 15.30 H new ATOM 0 HB THR A 93 -14.721 8.524 2.483 1.00 0.25 H new ATOM 0 HG1 THR A 93 -14.232 11.049 3.654 1.00 54.15 H new ATOM 0 HG21 THR A 93 -14.656 8.042 4.927 1.00 25.14 H new ATOM 0 HG22 THR A 93 -13.252 7.367 4.068 1.00 25.14 H new ATOM 0 HG23 THR A 93 -13.076 8.855 5.029 1.00 25.14 H new ATOM 1429 N GLY A 94 -10.588 10.075 3.178 1.00 62.34 N ATOM 1430 CA GLY A 94 -9.569 10.862 3.866 1.00 44.31 C ATOM 1431 C GLY A 94 -8.195 10.704 3.221 1.00 25.11 C ATOM 1432 O GLY A 94 -8.043 9.918 2.276 1.00 52.32 O ATOM 0 H GLY A 94 -10.232 9.215 2.761 1.00 62.34 H new ATOM 0 HA2 GLY A 94 -9.855 11.914 3.857 1.00 44.31 H new ATOM 0 HA3 GLY A 94 -9.517 10.555 4.911 1.00 44.31 H new ATOM 1436 N PRO A 95 -7.179 11.490 3.663 1.00 15.24 N ATOM 1437 CA PRO A 95 -5.778 11.313 3.231 1.00 73.34 C ATOM 1438 C PRO A 95 -5.047 10.229 4.066 1.00 1.11 C ATOM 1439 O PRO A 95 -5.449 9.930 5.197 1.00 24.42 O ATOM 1440 CB PRO A 95 -5.188 12.723 3.458 1.00 13.13 C ATOM 1441 CG PRO A 95 -5.952 13.284 4.625 1.00 25.11 C ATOM 1442 CD PRO A 95 -7.335 12.655 4.580 1.00 11.35 C ATOM 0 HA PRO A 95 -5.677 10.963 2.204 1.00 73.34 H new ATOM 0 HB2 PRO A 95 -4.120 12.674 3.673 1.00 13.13 H new ATOM 0 HB3 PRO A 95 -5.307 13.347 2.572 1.00 13.13 H new ATOM 0 HG2 PRO A 95 -5.451 13.051 5.564 1.00 25.11 H new ATOM 0 HG3 PRO A 95 -6.018 14.370 4.559 1.00 25.11 H new ATOM 0 HD2 PRO A 95 -7.662 12.340 5.571 1.00 11.35 H new ATOM 0 HD3 PRO A 95 -8.080 13.358 4.207 1.00 11.35 H new ATOM 1450 N GLY A 96 -3.980 9.649 3.490 1.00 11.44 N ATOM 1451 CA GLY A 96 -3.195 8.597 4.155 1.00 73.14 C ATOM 1452 C GLY A 96 -3.847 7.214 4.106 1.00 42.14 C ATOM 1453 O GLY A 96 -3.514 6.333 4.910 1.00 24.01 O ATOM 0 H GLY A 96 -3.641 9.894 2.560 1.00 11.44 H new ATOM 0 HA2 GLY A 96 -2.211 8.541 3.688 1.00 73.14 H new ATOM 0 HA3 GLY A 96 -3.038 8.878 5.197 1.00 73.14 H new ATOM 1457 N ILE A 97 -4.775 7.038 3.160 1.00 21.52 N ATOM 1458 CA ILE A 97 -5.580 5.813 3.015 1.00 24.31 C ATOM 1459 C ILE A 97 -4.779 4.691 2.317 1.00 63.22 C ATOM 1460 O ILE A 97 -4.495 4.766 1.121 1.00 32.50 O ATOM 1461 CB ILE A 97 -6.916 6.144 2.235 1.00 4.25 C ATOM 1462 CG1 ILE A 97 -7.891 6.968 3.133 1.00 12.03 C ATOM 1463 CG2 ILE A 97 -7.621 4.891 1.682 1.00 55.43 C ATOM 1464 CD1 ILE A 97 -8.392 6.258 4.387 1.00 40.11 C ATOM 0 H ILE A 97 -4.994 7.749 2.463 1.00 21.52 H new ATOM 0 HA ILE A 97 -5.838 5.444 4.007 1.00 24.31 H new ATOM 0 HB ILE A 97 -6.627 6.745 1.373 1.00 4.25 H new ATOM 0 HG12 ILE A 97 -7.389 7.888 3.434 1.00 12.03 H new ATOM 0 HG13 ILE A 97 -8.753 7.257 2.532 1.00 12.03 H new ATOM 0 HG21 ILE A 97 -8.530 5.186 1.158 1.00 55.43 H new ATOM 0 HG22 ILE A 97 -6.955 4.374 0.991 1.00 55.43 H new ATOM 0 HG23 ILE A 97 -7.877 4.224 2.505 1.00 55.43 H new ATOM 0 HD11 ILE A 97 -9.062 6.920 4.937 1.00 40.11 H new ATOM 0 HD12 ILE A 97 -8.929 5.353 4.103 1.00 40.11 H new ATOM 0 HD13 ILE A 97 -7.544 5.994 5.019 1.00 40.11 H new ATOM 1476 N LEU A 98 -4.426 3.653 3.090 1.00 43.21 N ATOM 1477 CA LEU A 98 -3.730 2.463 2.576 1.00 53.41 C ATOM 1478 C LEU A 98 -4.770 1.403 2.128 1.00 30.45 C ATOM 1479 O LEU A 98 -5.576 0.919 2.936 1.00 21.44 O ATOM 1480 CB LEU A 98 -2.765 1.904 3.656 1.00 72.40 C ATOM 1481 CG LEU A 98 -1.998 0.588 3.292 1.00 15.41 C ATOM 1482 CD1 LEU A 98 -1.041 0.776 2.101 1.00 25.33 C ATOM 1483 CD2 LEU A 98 -1.257 0.016 4.515 1.00 54.13 C ATOM 0 H LEU A 98 -4.615 3.615 4.092 1.00 43.21 H new ATOM 0 HA LEU A 98 -3.130 2.733 1.707 1.00 53.41 H new ATOM 0 HB2 LEU A 98 -2.030 2.674 3.889 1.00 72.40 H new ATOM 0 HB3 LEU A 98 -3.338 1.725 4.566 1.00 72.40 H new ATOM 0 HG LEU A 98 -2.750 -0.137 2.982 1.00 15.41 H new ATOM 0 HD11 LEU A 98 -0.534 -0.165 1.889 1.00 25.33 H new ATOM 0 HD12 LEU A 98 -1.608 1.088 1.224 1.00 25.33 H new ATOM 0 HD13 LEU A 98 -0.302 1.539 2.345 1.00 25.33 H new ATOM 0 HD21 LEU A 98 -0.735 -0.897 4.230 1.00 54.13 H new ATOM 0 HD22 LEU A 98 -0.536 0.748 4.879 1.00 54.13 H new ATOM 0 HD23 LEU A 98 -1.975 -0.208 5.303 1.00 54.13 H new ATOM 1495 N SER A 99 -4.739 1.071 0.835 1.00 14.35 N ATOM 1496 CA SER A 99 -5.667 0.127 0.181 1.00 32.44 C ATOM 1497 C SER A 99 -4.866 -0.783 -0.769 1.00 63.11 C ATOM 1498 O SER A 99 -3.775 -0.408 -1.196 1.00 13.23 O ATOM 1499 CB SER A 99 -6.737 0.940 -0.584 1.00 12.24 C ATOM 1500 OG SER A 99 -7.623 0.128 -1.339 1.00 75.35 O ATOM 0 H SER A 99 -4.050 1.459 0.190 1.00 14.35 H new ATOM 0 HA SER A 99 -6.168 -0.504 0.915 1.00 32.44 H new ATOM 0 HB2 SER A 99 -7.313 1.530 0.128 1.00 12.24 H new ATOM 0 HB3 SER A 99 -6.240 1.643 -1.252 1.00 12.24 H new ATOM 0 HG SER A 99 -7.850 -0.675 -0.824 1.00 75.35 H new ATOM 1506 N MET A 100 -5.387 -1.993 -1.076 1.00 3.00 N ATOM 1507 CA MET A 100 -4.716 -2.930 -2.014 1.00 72.34 C ATOM 1508 C MET A 100 -5.202 -2.681 -3.441 1.00 71.51 C ATOM 1509 O MET A 100 -6.345 -2.277 -3.638 1.00 54.22 O ATOM 1510 CB MET A 100 -4.912 -4.415 -1.613 1.00 71.32 C ATOM 1511 CG MET A 100 -4.490 -4.727 -0.174 1.00 14.05 C ATOM 1512 SD MET A 100 -4.208 -6.477 0.134 1.00 5.12 S ATOM 1513 CE MET A 100 -2.559 -6.675 -0.563 1.00 14.10 C ATOM 0 H MET A 100 -6.264 -2.344 -0.692 1.00 3.00 H new ATOM 0 HA MET A 100 -3.645 -2.734 -1.961 1.00 72.34 H new ATOM 0 HB2 MET A 100 -5.962 -4.680 -1.740 1.00 71.32 H new ATOM 0 HB3 MET A 100 -4.339 -5.044 -2.294 1.00 71.32 H new ATOM 0 HG2 MET A 100 -3.578 -4.175 0.056 1.00 14.05 H new ATOM 0 HG3 MET A 100 -5.261 -4.367 0.507 1.00 14.05 H new ATOM 0 HE1 MET A 100 -2.425 -7.705 -0.892 1.00 14.10 H new ATOM 0 HE2 MET A 100 -2.440 -6.004 -1.413 1.00 14.10 H new ATOM 0 HE3 MET A 100 -1.813 -6.436 0.195 1.00 14.10 H new ATOM 1523 N ALA A 101 -4.312 -2.892 -4.422 1.00 11.44 N ATOM 1524 CA ALA A 101 -4.540 -2.498 -5.825 1.00 34.11 C ATOM 1525 C ALA A 101 -5.337 -3.548 -6.611 1.00 11.42 C ATOM 1526 O ALA A 101 -5.440 -4.711 -6.196 1.00 44.53 O ATOM 1527 CB ALA A 101 -3.194 -2.212 -6.489 1.00 30.10 C ATOM 0 H ALA A 101 -3.410 -3.342 -4.267 1.00 11.44 H new ATOM 0 HA ALA A 101 -5.150 -1.595 -5.830 1.00 34.11 H new ATOM 0 HB1 ALA A 101 -3.355 -1.920 -7.527 1.00 30.10 H new ATOM 0 HB2 ALA A 101 -2.691 -1.404 -5.958 1.00 30.10 H new ATOM 0 HB3 ALA A 101 -2.574 -3.108 -6.456 1.00 30.10 H new ATOM 1533 N ASN A 102 -5.892 -3.105 -7.762 1.00 72.45 N ATOM 1534 CA ASN A 102 -6.669 -3.967 -8.665 1.00 14.13 C ATOM 1535 C ASN A 102 -6.843 -3.289 -10.033 1.00 11.22 C ATOM 1536 O ASN A 102 -6.561 -2.099 -10.186 1.00 13.03 O ATOM 1537 CB ASN A 102 -8.068 -4.303 -8.054 1.00 25.15 C ATOM 1538 CG ASN A 102 -9.120 -3.180 -8.116 1.00 42.30 C ATOM 1539 OD1 ASN A 102 -8.816 -1.999 -8.214 1.00 73.45 O ATOM 1540 ND2 ASN A 102 -10.373 -3.551 -8.011 1.00 12.34 N ATOM 0 H ASN A 102 -5.811 -2.141 -8.085 1.00 72.45 H new ATOM 0 HA ASN A 102 -6.119 -4.899 -8.797 1.00 14.13 H new ATOM 0 HB2 ASN A 102 -8.467 -5.176 -8.570 1.00 25.15 H new ATOM 0 HB3 ASN A 102 -7.928 -4.585 -7.011 1.00 25.15 H new ATOM 0 HD21 ASN A 102 -11.114 -2.850 -8.010 1.00 12.34 H new ATOM 0 HD22 ASN A 102 -10.607 -4.541 -7.930 1.00 12.34 H new ATOM 1547 N ALA A 103 -7.310 -4.063 -11.009 1.00 60.13 N ATOM 1548 CA ALA A 103 -7.778 -3.546 -12.306 1.00 64.33 C ATOM 1549 C ALA A 103 -9.296 -3.786 -12.446 1.00 50.24 C ATOM 1550 O ALA A 103 -9.865 -3.574 -13.522 1.00 25.31 O ATOM 1551 CB ALA A 103 -6.987 -4.211 -13.446 1.00 75.20 C ATOM 0 H ALA A 103 -7.378 -5.078 -10.928 1.00 60.13 H new ATOM 0 HA ALA A 103 -7.604 -2.471 -12.362 1.00 64.33 H new ATOM 0 HB1 ALA A 103 -7.336 -3.826 -14.404 1.00 75.20 H new ATOM 0 HB2 ALA A 103 -5.926 -3.989 -13.331 1.00 75.20 H new ATOM 0 HB3 ALA A 103 -7.138 -5.290 -13.412 1.00 75.20 H new ATOM 1557 N GLY A 104 -9.939 -4.224 -11.338 1.00 24.42 N ATOM 1558 CA GLY A 104 -11.374 -4.522 -11.311 1.00 4.11 C ATOM 1559 C GLY A 104 -11.741 -5.550 -10.234 1.00 2.53 C ATOM 1560 O GLY A 104 -10.884 -5.919 -9.421 1.00 52.13 O ATOM 0 H GLY A 104 -9.471 -4.377 -10.445 1.00 24.42 H new ATOM 0 HA2 GLY A 104 -11.930 -3.601 -11.134 1.00 4.11 H new ATOM 0 HA3 GLY A 104 -11.682 -4.897 -12.287 1.00 4.11 H new ATOM 1564 N PRO A 105 -13.030 -6.020 -10.182 1.00 21.24 N ATOM 1565 CA PRO A 105 -13.484 -7.068 -9.224 1.00 73.24 C ATOM 1566 C PRO A 105 -12.698 -8.396 -9.366 1.00 51.24 C ATOM 1567 O PRO A 105 -12.297 -8.769 -10.480 1.00 51.41 O ATOM 1568 CB PRO A 105 -14.985 -7.258 -9.578 1.00 11.21 C ATOM 1569 CG PRO A 105 -15.377 -5.972 -10.246 1.00 72.33 C ATOM 1570 CD PRO A 105 -14.155 -5.543 -11.031 1.00 75.51 C ATOM 0 HA PRO A 105 -13.318 -6.771 -8.189 1.00 73.24 H new ATOM 0 HB2 PRO A 105 -15.132 -8.111 -10.241 1.00 11.21 H new ATOM 0 HB3 PRO A 105 -15.584 -7.441 -8.686 1.00 11.21 H new ATOM 0 HG2 PRO A 105 -16.236 -6.115 -10.902 1.00 72.33 H new ATOM 0 HG3 PRO A 105 -15.658 -5.217 -9.512 1.00 72.33 H new ATOM 0 HD2 PRO A 105 -14.133 -5.995 -12.023 1.00 75.51 H new ATOM 0 HD3 PRO A 105 -14.124 -4.463 -11.172 1.00 75.51 H new ATOM 1578 N ASN A 106 -12.454 -9.062 -8.209 1.00 5.13 N ATOM 1579 CA ASN A 106 -11.687 -10.328 -8.094 1.00 41.34 C ATOM 1580 C ASN A 106 -10.202 -10.145 -8.517 1.00 72.33 C ATOM 1581 O ASN A 106 -9.460 -11.114 -8.703 1.00 0.34 O ATOM 1582 CB ASN A 106 -12.404 -11.480 -8.875 1.00 13.01 C ATOM 1583 CG ASN A 106 -11.915 -12.893 -8.525 1.00 11.44 C ATOM 1584 OD1 ASN A 106 -11.402 -13.143 -7.430 1.00 13.42 O ATOM 1585 ND2 ASN A 106 -12.117 -13.839 -9.430 1.00 13.33 N ATOM 0 H ASN A 106 -12.794 -8.725 -7.308 1.00 5.13 H new ATOM 0 HA ASN A 106 -11.663 -10.618 -7.044 1.00 41.34 H new ATOM 0 HB2 ASN A 106 -13.475 -11.422 -8.679 1.00 13.01 H new ATOM 0 HB3 ASN A 106 -12.266 -11.317 -9.944 1.00 13.01 H new ATOM 0 HD21 ASN A 106 -11.847 -14.802 -9.230 1.00 13.33 H new ATOM 0 HD22 ASN A 106 -12.543 -13.604 -10.327 1.00 13.33 H new ATOM 1592 N THR A 107 -9.766 -8.874 -8.615 1.00 12.14 N ATOM 1593 CA THR A 107 -8.395 -8.509 -8.985 1.00 41.23 C ATOM 1594 C THR A 107 -7.701 -7.790 -7.799 1.00 42.13 C ATOM 1595 O THR A 107 -6.533 -7.412 -7.889 1.00 13.24 O ATOM 1596 CB THR A 107 -8.388 -7.606 -10.272 1.00 2.00 C ATOM 1597 OG1 THR A 107 -9.377 -8.085 -11.205 1.00 4.43 O ATOM 1598 CG2 THR A 107 -7.017 -7.582 -10.981 1.00 61.35 C ATOM 0 H THR A 107 -10.365 -8.068 -8.437 1.00 12.14 H new ATOM 0 HA THR A 107 -7.838 -9.418 -9.214 1.00 41.23 H new ATOM 0 HB THR A 107 -8.613 -6.591 -9.944 1.00 2.00 H new ATOM 0 HG1 THR A 107 -9.372 -7.520 -12.006 1.00 4.43 H new ATOM 0 HG21 THR A 107 -7.074 -6.943 -11.862 1.00 61.35 H new ATOM 0 HG22 THR A 107 -6.261 -7.193 -10.299 1.00 61.35 H new ATOM 0 HG23 THR A 107 -6.746 -8.593 -11.284 1.00 61.35 H new ATOM 1606 N ASN A 108 -8.442 -7.619 -6.682 1.00 64.51 N ATOM 1607 CA ASN A 108 -7.948 -6.917 -5.478 1.00 5.41 C ATOM 1608 C ASN A 108 -7.021 -7.837 -4.669 1.00 44.22 C ATOM 1609 O ASN A 108 -7.099 -9.054 -4.778 1.00 54.11 O ATOM 1610 CB ASN A 108 -9.149 -6.422 -4.617 1.00 51.33 C ATOM 1611 CG ASN A 108 -8.750 -5.584 -3.386 1.00 20.43 C ATOM 1612 OD1 ASN A 108 -7.736 -4.897 -3.382 1.00 33.21 O ATOM 1613 ND2 ASN A 108 -9.563 -5.605 -2.343 1.00 53.42 N ATOM 0 H ASN A 108 -9.398 -7.963 -6.590 1.00 64.51 H new ATOM 0 HA ASN A 108 -7.370 -6.045 -5.783 1.00 5.41 H new ATOM 0 HB2 ASN A 108 -9.811 -5.827 -5.247 1.00 51.33 H new ATOM 0 HB3 ASN A 108 -9.721 -7.287 -4.282 1.00 51.33 H new ATOM 0 HD21 ASN A 108 -9.350 -5.043 -1.519 1.00 53.42 H new ATOM 0 HD22 ASN A 108 -10.403 -6.183 -2.363 1.00 53.42 H new ATOM 1620 N GLY A 109 -6.116 -7.248 -3.884 1.00 4.05 N ATOM 1621 CA GLY A 109 -5.214 -8.026 -3.026 1.00 32.00 C ATOM 1622 C GLY A 109 -3.857 -8.267 -3.654 1.00 32.24 C ATOM 1623 O GLY A 109 -2.949 -8.785 -2.990 1.00 33.23 O ATOM 0 H GLY A 109 -5.987 -6.238 -3.823 1.00 4.05 H new ATOM 0 HA2 GLY A 109 -5.082 -7.503 -2.079 1.00 32.00 H new ATOM 0 HA3 GLY A 109 -5.678 -8.986 -2.798 1.00 32.00 H new ATOM 1627 N SER A 110 -3.738 -7.941 -4.948 1.00 42.31 N ATOM 1628 CA SER A 110 -2.453 -7.854 -5.631 1.00 41.43 C ATOM 1629 C SER A 110 -1.960 -6.402 -5.508 1.00 62.35 C ATOM 1630 O SER A 110 -2.682 -5.478 -5.896 1.00 12.24 O ATOM 1631 CB SER A 110 -2.592 -8.295 -7.113 1.00 60.04 C ATOM 1632 OG SER A 110 -3.685 -7.646 -7.754 1.00 52.14 O ATOM 0 H SER A 110 -4.536 -7.731 -5.547 1.00 42.31 H new ATOM 0 HA SER A 110 -1.725 -8.526 -5.176 1.00 41.43 H new ATOM 0 HB2 SER A 110 -1.670 -8.069 -7.648 1.00 60.04 H new ATOM 0 HB3 SER A 110 -2.731 -9.375 -7.160 1.00 60.04 H new ATOM 0 HG SER A 110 -3.743 -6.718 -7.443 1.00 52.14 H new ATOM 1638 N GLN A 111 -0.749 -6.227 -4.938 1.00 4.11 N ATOM 1639 CA GLN A 111 -0.082 -4.915 -4.687 1.00 10.41 C ATOM 1640 C GLN A 111 -0.807 -4.123 -3.572 1.00 71.54 C ATOM 1641 O GLN A 111 -1.934 -4.449 -3.184 1.00 5.33 O ATOM 1642 CB GLN A 111 0.105 -4.026 -5.990 1.00 5.35 C ATOM 1643 CG GLN A 111 0.319 -4.827 -7.302 1.00 24.42 C ATOM 1644 CD GLN A 111 1.129 -4.129 -8.393 1.00 41.12 C ATOM 1645 OE1 GLN A 111 1.172 -2.908 -8.494 1.00 42.21 O ATOM 1646 NE2 GLN A 111 1.767 -4.922 -9.243 1.00 73.34 N ATOM 0 H GLN A 111 -0.183 -7.016 -4.627 1.00 4.11 H new ATOM 0 HA GLN A 111 0.925 -5.158 -4.348 1.00 10.41 H new ATOM 0 HB2 GLN A 111 -0.773 -3.391 -6.108 1.00 5.35 H new ATOM 0 HB3 GLN A 111 0.959 -3.365 -5.842 1.00 5.35 H new ATOM 0 HG2 GLN A 111 0.815 -5.765 -7.054 1.00 24.42 H new ATOM 0 HG3 GLN A 111 -0.659 -5.082 -7.711 1.00 24.42 H new ATOM 0 HE21 GLN A 111 1.713 -5.935 -9.134 1.00 73.34 H new ATOM 0 HE22 GLN A 111 2.312 -4.519 -10.006 1.00 73.34 H new ATOM 1655 N PHE A 112 -0.135 -3.089 -3.053 1.00 11.10 N ATOM 1656 CA PHE A 112 -0.707 -2.167 -2.044 1.00 34.51 C ATOM 1657 C PHE A 112 -0.279 -0.738 -2.377 1.00 70.55 C ATOM 1658 O PHE A 112 0.762 -0.544 -3.007 1.00 33.03 O ATOM 1659 CB PHE A 112 -0.267 -2.558 -0.602 1.00 25.11 C ATOM 1660 CG PHE A 112 1.248 -2.519 -0.361 1.00 33.12 C ATOM 1661 CD1 PHE A 112 2.041 -3.639 -0.625 1.00 33.32 C ATOM 1662 CD2 PHE A 112 1.882 -1.362 0.118 1.00 43.13 C ATOM 1663 CE1 PHE A 112 3.406 -3.606 -0.413 1.00 53.44 C ATOM 1664 CE2 PHE A 112 3.248 -1.336 0.322 1.00 32.12 C ATOM 1665 CZ PHE A 112 4.008 -2.456 0.053 1.00 74.11 C ATOM 0 H PHE A 112 0.824 -2.861 -3.316 1.00 11.10 H new ATOM 0 HA PHE A 112 -1.794 -2.238 -2.075 1.00 34.51 H new ATOM 0 HB2 PHE A 112 -0.751 -1.885 0.106 1.00 25.11 H new ATOM 0 HB3 PHE A 112 -0.630 -3.563 -0.386 1.00 25.11 H new ATOM 0 HD1 PHE A 112 1.581 -4.542 -0.999 1.00 33.32 H new ATOM 0 HD2 PHE A 112 1.294 -0.481 0.330 1.00 43.13 H new ATOM 0 HE1 PHE A 112 4.003 -4.483 -0.613 1.00 53.44 H new ATOM 0 HE2 PHE A 112 3.721 -0.439 0.692 1.00 32.12 H new ATOM 0 HZ PHE A 112 5.077 -2.432 0.208 1.00 74.11 H new ATOM 1675 N PHE A 113 -1.062 0.251 -1.923 1.00 34.11 N ATOM 1676 CA PHE A 113 -0.820 1.669 -2.231 1.00 31.20 C ATOM 1677 C PHE A 113 -1.367 2.588 -1.132 1.00 24.41 C ATOM 1678 O PHE A 113 -2.345 2.252 -0.465 1.00 54.42 O ATOM 1679 CB PHE A 113 -1.441 2.038 -3.600 1.00 0.14 C ATOM 1680 CG PHE A 113 -2.961 1.930 -3.702 1.00 52.10 C ATOM 1681 CD1 PHE A 113 -3.782 3.008 -3.369 1.00 60.55 C ATOM 1682 CD2 PHE A 113 -3.565 0.767 -4.131 1.00 13.22 C ATOM 1683 CE1 PHE A 113 -5.141 2.918 -3.462 1.00 31.43 C ATOM 1684 CE2 PHE A 113 -4.932 0.684 -4.221 1.00 13.14 C ATOM 1685 CZ PHE A 113 -5.717 1.759 -3.888 1.00 32.25 C ATOM 0 H PHE A 113 -1.879 0.092 -1.333 1.00 34.11 H new ATOM 0 HA PHE A 113 0.259 1.817 -2.280 1.00 31.20 H new ATOM 0 HB2 PHE A 113 -1.153 3.061 -3.842 1.00 0.14 H new ATOM 0 HB3 PHE A 113 -1.000 1.394 -4.361 1.00 0.14 H new ATOM 0 HD1 PHE A 113 -3.334 3.931 -3.031 1.00 60.55 H new ATOM 0 HD2 PHE A 113 -2.958 -0.085 -4.398 1.00 13.22 H new ATOM 0 HE1 PHE A 113 -5.758 3.764 -3.198 1.00 31.43 H new ATOM 0 HE2 PHE A 113 -5.393 -0.233 -4.556 1.00 13.14 H new ATOM 0 HZ PHE A 113 -6.792 1.686 -3.964 1.00 32.25 H new ATOM 1695 N ILE A 114 -0.749 3.773 -0.997 1.00 32.32 N ATOM 1696 CA ILE A 114 -1.086 4.752 0.042 1.00 43.42 C ATOM 1697 C ILE A 114 -1.532 6.057 -0.654 1.00 40.21 C ATOM 1698 O ILE A 114 -0.700 6.747 -1.253 1.00 43.25 O ATOM 1699 CB ILE A 114 0.160 5.076 0.960 1.00 11.21 C ATOM 1700 CG1 ILE A 114 1.000 3.795 1.292 1.00 20.41 C ATOM 1701 CG2 ILE A 114 -0.323 5.760 2.268 1.00 63.21 C ATOM 1702 CD1 ILE A 114 2.395 4.081 1.844 1.00 42.24 C ATOM 0 H ILE A 114 0.005 4.078 -1.613 1.00 32.32 H new ATOM 0 HA ILE A 114 -1.876 4.338 0.669 1.00 43.42 H new ATOM 0 HB ILE A 114 0.814 5.752 0.410 1.00 11.21 H new ATOM 0 HG12 ILE A 114 0.452 3.194 2.017 1.00 20.41 H new ATOM 0 HG13 ILE A 114 1.096 3.194 0.388 1.00 20.41 H new ATOM 0 HG21 ILE A 114 0.536 5.983 2.901 1.00 63.21 H new ATOM 0 HG22 ILE A 114 -0.844 6.686 2.024 1.00 63.21 H new ATOM 0 HG23 ILE A 114 -1.001 5.092 2.799 1.00 63.21 H new ATOM 0 HD11 ILE A 114 2.906 3.140 2.046 1.00 42.24 H new ATOM 0 HD12 ILE A 114 2.965 4.654 1.113 1.00 42.24 H new ATOM 0 HD13 ILE A 114 2.310 4.654 2.768 1.00 42.24 H new ATOM 1714 N CYS A 115 -2.833 6.362 -0.601 1.00 41.22 N ATOM 1715 CA CYS A 115 -3.390 7.604 -1.155 1.00 34.11 C ATOM 1716 C CYS A 115 -3.168 8.759 -0.167 1.00 74.23 C ATOM 1717 O CYS A 115 -3.834 8.805 0.871 1.00 21.13 O ATOM 1718 CB CYS A 115 -4.899 7.417 -1.424 1.00 71.04 C ATOM 1719 SG CYS A 115 -5.281 6.019 -2.492 1.00 12.42 S ATOM 0 H CYS A 115 -3.532 5.755 -0.172 1.00 41.22 H new ATOM 0 HA CYS A 115 -2.887 7.841 -2.093 1.00 34.11 H new ATOM 0 HB2 CYS A 115 -5.414 7.286 -0.472 1.00 71.04 H new ATOM 0 HB3 CYS A 115 -5.293 8.327 -1.878 1.00 71.04 H new ATOM 0 HG CYS A 115 -6.534 5.698 -2.356 1.00 12.42 H new ATOM 1725 N THR A 116 -2.216 9.662 -0.471 1.00 42.31 N ATOM 1726 CA THR A 116 -1.994 10.889 0.330 1.00 2.21 C ATOM 1727 C THR A 116 -3.135 11.890 0.111 1.00 71.50 C ATOM 1728 O THR A 116 -3.377 12.759 0.946 1.00 25.02 O ATOM 1729 CB THR A 116 -0.643 11.586 -0.014 1.00 34.33 C ATOM 1730 OG1 THR A 116 -0.571 11.825 -1.424 1.00 21.12 O ATOM 1731 CG2 THR A 116 0.571 10.762 0.439 1.00 11.52 C ATOM 0 H THR A 116 -1.585 9.567 -1.267 1.00 42.31 H new ATOM 0 HA THR A 116 -1.963 10.575 1.373 1.00 2.21 H new ATOM 0 HB THR A 116 -0.613 12.531 0.528 1.00 34.33 H new ATOM 0 HG1 THR A 116 0.339 11.646 -1.740 1.00 21.12 H new ATOM 0 HG21 THR A 116 1.488 11.290 0.177 1.00 11.52 H new ATOM 0 HG22 THR A 116 0.531 10.619 1.519 1.00 11.52 H new ATOM 0 HG23 THR A 116 0.557 9.791 -0.056 1.00 11.52 H new ATOM 1739 N ALA A 117 -3.790 11.780 -1.044 1.00 14.31 N ATOM 1740 CA ALA A 117 -5.011 12.528 -1.349 1.00 24.32 C ATOM 1741 C ALA A 117 -6.239 11.640 -1.102 1.00 61.32 C ATOM 1742 O ALA A 117 -6.168 10.416 -1.283 1.00 64.33 O ATOM 1743 CB ALA A 117 -4.979 13.022 -2.802 1.00 12.55 C ATOM 0 H ALA A 117 -3.487 11.166 -1.800 1.00 14.31 H new ATOM 0 HA ALA A 117 -5.073 13.398 -0.695 1.00 24.32 H new ATOM 0 HB1 ALA A 117 -5.892 13.577 -3.018 1.00 12.55 H new ATOM 0 HB2 ALA A 117 -4.116 13.672 -2.946 1.00 12.55 H new ATOM 0 HB3 ALA A 117 -4.906 12.168 -3.475 1.00 12.55 H new ATOM 1749 N LYS A 118 -7.348 12.259 -0.669 1.00 43.42 N ATOM 1750 CA LYS A 118 -8.654 11.579 -0.553 1.00 4.14 C ATOM 1751 C LYS A 118 -9.220 11.276 -1.960 1.00 41.54 C ATOM 1752 O LYS A 118 -10.003 12.055 -2.535 1.00 31.21 O ATOM 1753 CB LYS A 118 -9.652 12.414 0.304 1.00 31.32 C ATOM 1754 CG LYS A 118 -9.698 13.922 -0.041 1.00 15.01 C ATOM 1755 CD LYS A 118 -10.891 14.652 0.600 1.00 52.13 C ATOM 1756 CE LYS A 118 -12.239 14.152 0.056 1.00 3.50 C ATOM 1757 NZ LYS A 118 -12.320 14.294 -1.422 1.00 70.24 N ATOM 0 H LYS A 118 -7.369 13.240 -0.390 1.00 43.42 H new ATOM 0 HA LYS A 118 -8.509 10.631 -0.034 1.00 4.14 H new ATOM 0 HB2 LYS A 118 -10.652 11.997 0.182 1.00 31.32 H new ATOM 0 HB3 LYS A 118 -9.387 12.304 1.356 1.00 31.32 H new ATOM 0 HG2 LYS A 118 -8.772 14.392 0.289 1.00 15.01 H new ATOM 0 HG3 LYS A 118 -9.747 14.040 -1.124 1.00 15.01 H new ATOM 0 HD2 LYS A 118 -10.863 14.511 1.681 1.00 52.13 H new ATOM 0 HD3 LYS A 118 -10.801 15.723 0.415 1.00 52.13 H new ATOM 0 HE2 LYS A 118 -12.377 13.106 0.330 1.00 3.50 H new ATOM 0 HE3 LYS A 118 -13.050 14.713 0.521 1.00 3.50 H new ATOM 0 HZ1 LYS A 118 -13.307 14.176 -1.729 1.00 70.24 H new ATOM 0 HZ2 LYS A 118 -11.982 15.238 -1.699 1.00 70.24 H new ATOM 0 HZ3 LYS A 118 -11.728 13.568 -1.873 1.00 70.24 H new ATOM 1771 N THR A 119 -8.769 10.145 -2.519 1.00 42.53 N ATOM 1772 CA THR A 119 -9.106 9.725 -3.879 1.00 43.45 C ATOM 1773 C THR A 119 -10.512 9.079 -3.904 1.00 11.20 C ATOM 1774 O THR A 119 -10.667 7.858 -3.861 1.00 70.14 O ATOM 1775 CB THR A 119 -7.997 8.744 -4.387 1.00 21.43 C ATOM 1776 OG1 THR A 119 -7.812 7.681 -3.428 1.00 71.42 O ATOM 1777 CG2 THR A 119 -6.649 9.464 -4.595 1.00 71.25 C ATOM 0 H THR A 119 -8.154 9.492 -2.032 1.00 42.53 H new ATOM 0 HA THR A 119 -9.140 10.585 -4.548 1.00 43.45 H new ATOM 0 HB THR A 119 -8.327 8.343 -5.346 1.00 21.43 H new ATOM 0 HG1 THR A 119 -6.869 7.413 -3.414 1.00 71.42 H new ATOM 0 HG21 THR A 119 -5.905 8.749 -4.948 1.00 71.25 H new ATOM 0 HG22 THR A 119 -6.770 10.256 -5.334 1.00 71.25 H new ATOM 0 HG23 THR A 119 -6.318 9.896 -3.651 1.00 71.25 H new ATOM 1785 N GLU A 120 -11.526 9.947 -4.028 1.00 22.15 N ATOM 1786 CA GLU A 120 -12.956 9.581 -3.915 1.00 30.11 C ATOM 1787 C GLU A 120 -13.424 8.701 -5.089 1.00 63.53 C ATOM 1788 O GLU A 120 -14.337 7.874 -4.943 1.00 61.20 O ATOM 1789 CB GLU A 120 -13.795 10.880 -3.808 1.00 60.44 C ATOM 1790 CG GLU A 120 -13.576 11.879 -4.969 1.00 24.12 C ATOM 1791 CD GLU A 120 -14.141 13.275 -4.683 1.00 71.42 C ATOM 1792 OE1 GLU A 120 -13.459 14.065 -4.001 1.00 3.21 O ATOM 1793 OE2 GLU A 120 -15.260 13.588 -5.137 1.00 2.44 O ATOM 0 H GLU A 120 -11.380 10.939 -4.212 1.00 22.15 H new ATOM 0 HA GLU A 120 -13.097 8.981 -3.016 1.00 30.11 H new ATOM 0 HB2 GLU A 120 -14.851 10.614 -3.768 1.00 60.44 H new ATOM 0 HB3 GLU A 120 -13.556 11.376 -2.868 1.00 60.44 H new ATOM 0 HG2 GLU A 120 -12.508 11.961 -5.172 1.00 24.12 H new ATOM 0 HG3 GLU A 120 -14.042 11.484 -5.872 1.00 24.12 H new ATOM 1800 N TRP A 121 -12.734 8.847 -6.236 1.00 62.14 N ATOM 1801 CA TRP A 121 -13.011 8.072 -7.458 1.00 1.53 C ATOM 1802 C TRP A 121 -12.559 6.607 -7.334 1.00 51.20 C ATOM 1803 O TRP A 121 -12.683 5.853 -8.289 1.00 74.31 O ATOM 1804 CB TRP A 121 -12.373 8.759 -8.702 1.00 74.20 C ATOM 1805 CG TRP A 121 -10.871 8.992 -8.643 1.00 62.13 C ATOM 1806 CD1 TRP A 121 -9.876 8.179 -9.126 1.00 45.20 C ATOM 1807 CD2 TRP A 121 -10.205 10.143 -8.096 1.00 52.22 C ATOM 1808 NE1 TRP A 121 -8.647 8.748 -8.908 1.00 20.42 N ATOM 1809 CE2 TRP A 121 -8.823 9.957 -8.283 1.00 65.22 C ATOM 1810 CE3 TRP A 121 -10.650 11.316 -7.474 1.00 52.01 C ATOM 1811 CZ2 TRP A 121 -7.887 10.897 -7.862 1.00 32.11 C ATOM 1812 CZ3 TRP A 121 -9.718 12.246 -7.059 1.00 33.40 C ATOM 1813 CH2 TRP A 121 -8.351 12.034 -7.260 1.00 23.21 C ATOM 0 H TRP A 121 -11.965 9.509 -6.340 1.00 62.14 H new ATOM 0 HA TRP A 121 -14.092 8.054 -7.593 1.00 1.53 H new ATOM 0 HB2 TRP A 121 -12.591 8.150 -9.579 1.00 74.20 H new ATOM 0 HB3 TRP A 121 -12.863 9.721 -8.852 1.00 74.20 H new ATOM 0 HD1 TRP A 121 -10.038 7.227 -9.609 1.00 45.20 H new ATOM 0 HE1 TRP A 121 -7.749 8.339 -9.168 1.00 20.42 H new ATOM 0 HE3 TRP A 121 -11.705 11.490 -7.321 1.00 52.01 H new ATOM 0 HZ2 TRP A 121 -6.829 10.734 -8.006 1.00 32.11 H new ATOM 0 HZ3 TRP A 121 -10.050 13.151 -6.572 1.00 33.40 H new ATOM 0 HH2 TRP A 121 -7.646 12.784 -6.933 1.00 23.21 H new ATOM 1824 N LEU A 122 -12.008 6.217 -6.164 1.00 52.15 N ATOM 1825 CA LEU A 122 -11.604 4.826 -5.884 1.00 54.45 C ATOM 1826 C LEU A 122 -12.603 4.114 -4.950 1.00 23.43 C ATOM 1827 O LEU A 122 -12.346 2.973 -4.529 1.00 63.53 O ATOM 1828 CB LEU A 122 -10.184 4.804 -5.264 1.00 35.25 C ATOM 1829 CG LEU A 122 -9.040 5.455 -6.106 1.00 74.20 C ATOM 1830 CD1 LEU A 122 -7.661 5.178 -5.477 1.00 14.44 C ATOM 1831 CD2 LEU A 122 -9.081 4.996 -7.576 1.00 60.52 C ATOM 0 H LEU A 122 -11.832 6.858 -5.390 1.00 52.15 H new ATOM 0 HA LEU A 122 -11.598 4.285 -6.830 1.00 54.45 H new ATOM 0 HB2 LEU A 122 -10.226 5.310 -4.299 1.00 35.25 H new ATOM 0 HB3 LEU A 122 -9.914 3.766 -5.069 1.00 35.25 H new ATOM 0 HG LEU A 122 -9.204 6.533 -6.097 1.00 74.20 H new ATOM 0 HD11 LEU A 122 -6.884 5.643 -6.084 1.00 14.44 H new ATOM 0 HD12 LEU A 122 -7.631 5.593 -4.469 1.00 14.44 H new ATOM 0 HD13 LEU A 122 -7.491 4.102 -5.432 1.00 14.44 H new ATOM 0 HD21 LEU A 122 -8.270 5.471 -8.128 1.00 60.52 H new ATOM 0 HD22 LEU A 122 -8.966 3.913 -7.622 1.00 60.52 H new ATOM 0 HD23 LEU A 122 -10.036 5.279 -8.019 1.00 60.52 H new ATOM 1843 N ASP A 123 -13.724 4.787 -4.618 1.00 54.14 N ATOM 1844 CA ASP A 123 -14.796 4.199 -3.772 1.00 3.24 C ATOM 1845 C ASP A 123 -15.712 3.283 -4.602 1.00 61.10 C ATOM 1846 O ASP A 123 -15.830 3.456 -5.821 1.00 33.05 O ATOM 1847 CB ASP A 123 -15.622 5.312 -3.067 1.00 74.34 C ATOM 1848 CG ASP A 123 -14.824 6.178 -2.071 1.00 61.11 C ATOM 1849 OD1 ASP A 123 -13.598 5.971 -1.891 1.00 51.23 O ATOM 1850 OD2 ASP A 123 -15.436 7.061 -1.433 1.00 5.42 O ATOM 0 H ASP A 123 -13.915 5.742 -4.922 1.00 54.14 H new ATOM 0 HA ASP A 123 -14.319 3.593 -3.002 1.00 3.24 H new ATOM 0 HB2 ASP A 123 -16.053 5.962 -3.828 1.00 74.34 H new ATOM 0 HB3 ASP A 123 -16.454 4.847 -2.537 1.00 74.34 H new ATOM 1855 N GLY A 124 -16.348 2.294 -3.921 1.00 54.45 N ATOM 1856 CA GLY A 124 -17.141 1.242 -4.595 1.00 4.21 C ATOM 1857 C GLY A 124 -16.262 0.247 -5.348 1.00 0.31 C ATOM 1858 O GLY A 124 -16.728 -0.469 -6.241 1.00 20.12 O ATOM 0 H GLY A 124 -16.324 2.207 -2.905 1.00 54.45 H new ATOM 0 HA2 GLY A 124 -17.737 0.709 -3.854 1.00 4.21 H new ATOM 0 HA3 GLY A 124 -17.839 1.706 -5.292 1.00 4.21 H new ATOM 1862 N LYS A 125 -14.987 0.227 -4.944 1.00 31.02 N ATOM 1863 CA LYS A 125 -13.872 -0.486 -5.583 1.00 51.05 C ATOM 1864 C LYS A 125 -12.925 -0.972 -4.474 1.00 44.03 C ATOM 1865 O LYS A 125 -13.346 -1.048 -3.314 1.00 72.42 O ATOM 1866 CB LYS A 125 -13.184 0.408 -6.669 1.00 20.31 C ATOM 1867 CG LYS A 125 -13.935 0.388 -8.023 1.00 50.42 C ATOM 1868 CD LYS A 125 -13.369 1.359 -9.080 1.00 51.34 C ATOM 1869 CE LYS A 125 -13.537 2.835 -8.687 1.00 21.12 C ATOM 1870 NZ LYS A 125 -13.301 3.746 -9.841 1.00 42.14 N ATOM 0 H LYS A 125 -14.687 0.738 -4.114 1.00 31.02 H new ATOM 0 HA LYS A 125 -14.223 -1.361 -6.130 1.00 51.05 H new ATOM 0 HB2 LYS A 125 -13.126 1.434 -6.306 1.00 20.31 H new ATOM 0 HB3 LYS A 125 -12.161 0.065 -6.821 1.00 20.31 H new ATOM 0 HG2 LYS A 125 -13.907 -0.625 -8.425 1.00 50.42 H new ATOM 0 HG3 LYS A 125 -14.983 0.632 -7.847 1.00 50.42 H new ATOM 0 HD2 LYS A 125 -12.311 1.147 -9.231 1.00 51.34 H new ATOM 0 HD3 LYS A 125 -13.869 1.183 -10.033 1.00 51.34 H new ATOM 0 HE2 LYS A 125 -14.542 2.995 -8.298 1.00 21.12 H new ATOM 0 HE3 LYS A 125 -12.842 3.078 -7.884 1.00 21.12 H new ATOM 0 HZ1 LYS A 125 -12.815 4.605 -9.512 1.00 42.14 H new ATOM 0 HZ2 LYS A 125 -12.711 3.264 -10.549 1.00 42.14 H new ATOM 0 HZ3 LYS A 125 -14.212 4.006 -10.270 1.00 42.14 H new ATOM 1884 N HIS A 126 -11.651 -1.247 -4.809 1.00 74.33 N ATOM 1885 CA HIS A 126 -10.760 -2.116 -4.011 1.00 11.21 C ATOM 1886 C HIS A 126 -10.611 -1.647 -2.547 1.00 22.14 C ATOM 1887 O HIS A 126 -10.374 -0.459 -2.263 1.00 61.31 O ATOM 1888 CB HIS A 126 -9.361 -2.162 -4.683 1.00 63.32 C ATOM 1889 CG HIS A 126 -8.817 -0.813 -5.121 1.00 34.10 C ATOM 1890 ND1 HIS A 126 -9.433 0.392 -4.838 1.00 35.11 N ATOM 1891 CD2 HIS A 126 -7.769 -0.500 -5.913 1.00 34.24 C ATOM 1892 CE1 HIS A 126 -8.800 1.362 -5.446 1.00 3.44 C ATOM 1893 NE2 HIS A 126 -7.784 0.855 -6.109 1.00 52.22 N ATOM 0 H HIS A 126 -11.206 -0.871 -5.646 1.00 74.33 H new ATOM 0 HA HIS A 126 -11.214 -3.107 -3.983 1.00 11.21 H new ATOM 0 HB2 HIS A 126 -8.654 -2.614 -3.987 1.00 63.32 H new ATOM 0 HB3 HIS A 126 -9.413 -2.816 -5.553 1.00 63.32 H new ATOM 0 HD1 HIS A 126 -10.255 0.507 -4.246 1.00 35.11 H new ATOM 0 HD2 HIS A 126 -7.048 -1.194 -6.319 1.00 34.24 H new ATOM 0 HE1 HIS A 126 -9.068 2.408 -5.409 1.00 3.44 H new ATOM 1902 N VAL A 127 -10.802 -2.638 -1.653 1.00 25.24 N ATOM 1903 CA VAL A 127 -11.003 -2.458 -0.209 1.00 11.21 C ATOM 1904 C VAL A 127 -9.803 -1.787 0.487 1.00 21.32 C ATOM 1905 O VAL A 127 -8.645 -2.193 0.305 1.00 43.23 O ATOM 1906 CB VAL A 127 -11.315 -3.848 0.472 1.00 63.30 C ATOM 1907 CG1 VAL A 127 -11.450 -3.735 2.008 1.00 65.50 C ATOM 1908 CG2 VAL A 127 -12.584 -4.480 -0.142 1.00 51.24 C ATOM 0 H VAL A 127 -10.820 -3.619 -1.931 1.00 25.24 H new ATOM 0 HA VAL A 127 -11.853 -1.786 -0.091 1.00 11.21 H new ATOM 0 HB VAL A 127 -10.464 -4.500 0.275 1.00 63.30 H new ATOM 0 HG11 VAL A 127 -11.664 -4.718 2.428 1.00 65.50 H new ATOM 0 HG12 VAL A 127 -10.518 -3.356 2.428 1.00 65.50 H new ATOM 0 HG13 VAL A 127 -12.263 -3.051 2.252 1.00 65.50 H new ATOM 0 HG21 VAL A 127 -12.783 -5.437 0.340 1.00 51.24 H new ATOM 0 HG22 VAL A 127 -13.433 -3.813 0.011 1.00 51.24 H new ATOM 0 HG23 VAL A 127 -12.433 -4.636 -1.210 1.00 51.24 H new ATOM 1918 N VAL A 128 -10.118 -0.745 1.273 1.00 1.04 N ATOM 1919 CA VAL A 128 -9.176 -0.092 2.178 1.00 11.53 C ATOM 1920 C VAL A 128 -9.075 -0.919 3.465 1.00 32.23 C ATOM 1921 O VAL A 128 -10.072 -1.486 3.912 1.00 32.15 O ATOM 1922 CB VAL A 128 -9.655 1.358 2.519 1.00 44.12 C ATOM 1923 CG1 VAL A 128 -8.697 2.071 3.502 1.00 22.33 C ATOM 1924 CG2 VAL A 128 -9.867 2.176 1.231 1.00 61.20 C ATOM 0 H VAL A 128 -11.050 -0.331 1.293 1.00 1.04 H new ATOM 0 HA VAL A 128 -8.201 -0.026 1.696 1.00 11.53 H new ATOM 0 HB VAL A 128 -10.615 1.278 3.029 1.00 44.12 H new ATOM 0 HG11 VAL A 128 -9.069 3.074 3.710 1.00 22.33 H new ATOM 0 HG12 VAL A 128 -8.642 1.505 4.432 1.00 22.33 H new ATOM 0 HG13 VAL A 128 -7.704 2.138 3.058 1.00 22.33 H new ATOM 0 HG21 VAL A 128 -10.200 3.181 1.489 1.00 61.20 H new ATOM 0 HG22 VAL A 128 -8.929 2.235 0.679 1.00 61.20 H new ATOM 0 HG23 VAL A 128 -10.622 1.691 0.612 1.00 61.20 H new ATOM 1934 N PHE A 129 -7.891 -0.965 4.063 1.00 43.34 N ATOM 1935 CA PHE A 129 -7.650 -1.764 5.272 1.00 11.41 C ATOM 1936 C PHE A 129 -6.792 -0.997 6.271 1.00 2.13 C ATOM 1937 O PHE A 129 -6.969 -1.141 7.480 1.00 23.12 O ATOM 1938 CB PHE A 129 -7.008 -3.124 4.896 1.00 32.15 C ATOM 1939 CG PHE A 129 -5.643 -3.010 4.230 1.00 54.52 C ATOM 1940 CD1 PHE A 129 -5.520 -2.596 2.904 1.00 0.33 C ATOM 1941 CD2 PHE A 129 -4.485 -3.284 4.935 1.00 31.20 C ATOM 1942 CE1 PHE A 129 -4.280 -2.475 2.318 1.00 24.03 C ATOM 1943 CE2 PHE A 129 -3.257 -3.156 4.343 1.00 23.41 C ATOM 1944 CZ PHE A 129 -3.151 -2.754 3.035 1.00 32.05 C ATOM 0 H PHE A 129 -7.072 -0.456 3.731 1.00 43.34 H new ATOM 0 HA PHE A 129 -8.607 -1.964 5.754 1.00 11.41 H new ATOM 0 HB2 PHE A 129 -6.910 -3.728 5.798 1.00 32.15 H new ATOM 0 HB3 PHE A 129 -7.682 -3.658 4.227 1.00 32.15 H new ATOM 0 HD1 PHE A 129 -6.407 -2.368 2.331 1.00 0.33 H new ATOM 0 HD2 PHE A 129 -4.550 -3.603 5.965 1.00 31.20 H new ATOM 0 HE1 PHE A 129 -4.200 -2.159 1.289 1.00 24.03 H new ATOM 0 HE2 PHE A 129 -2.364 -3.373 4.910 1.00 23.41 H new ATOM 0 HZ PHE A 129 -2.179 -2.659 2.574 1.00 32.05 H new ATOM 1954 N GLY A 130 -5.877 -0.175 5.748 1.00 40.44 N ATOM 1955 CA GLY A 130 -4.921 0.554 6.564 1.00 24.12 C ATOM 1956 C GLY A 130 -5.101 2.056 6.492 1.00 64.12 C ATOM 1957 O GLY A 130 -5.778 2.585 5.600 1.00 74.22 O ATOM 0 H GLY A 130 -5.784 -0.001 4.747 1.00 40.44 H new ATOM 0 HA2 GLY A 130 -5.017 0.232 7.601 1.00 24.12 H new ATOM 0 HA3 GLY A 130 -3.911 0.299 6.244 1.00 24.12 H new ATOM 1961 N LYS A 131 -4.470 2.733 7.439 1.00 61.13 N ATOM 1962 CA LYS A 131 -4.459 4.189 7.548 1.00 53.31 C ATOM 1963 C LYS A 131 -3.174 4.577 8.264 1.00 64.44 C ATOM 1964 O LYS A 131 -2.955 4.114 9.387 1.00 3.25 O ATOM 1965 CB LYS A 131 -5.674 4.668 8.383 1.00 24.34 C ATOM 1966 CG LYS A 131 -5.700 6.188 8.697 1.00 24.13 C ATOM 1967 CD LYS A 131 -6.655 6.538 9.863 1.00 34.33 C ATOM 1968 CE LYS A 131 -6.191 5.908 11.191 1.00 42.31 C ATOM 1969 NZ LYS A 131 -7.102 6.231 12.319 1.00 71.14 N ATOM 0 H LYS A 131 -3.935 2.274 8.176 1.00 61.13 H new ATOM 0 HA LYS A 131 -4.515 4.647 6.560 1.00 53.31 H new ATOM 0 HB2 LYS A 131 -6.588 4.408 7.848 1.00 24.34 H new ATOM 0 HB3 LYS A 131 -5.688 4.118 9.324 1.00 24.34 H new ATOM 0 HG2 LYS A 131 -4.692 6.521 8.945 1.00 24.13 H new ATOM 0 HG3 LYS A 131 -6.006 6.734 7.805 1.00 24.13 H new ATOM 0 HD2 LYS A 131 -6.711 7.621 9.974 1.00 34.33 H new ATOM 0 HD3 LYS A 131 -7.660 6.189 9.627 1.00 34.33 H new ATOM 0 HE2 LYS A 131 -6.130 4.826 11.075 1.00 42.31 H new ATOM 0 HE3 LYS A 131 -5.187 6.260 11.426 1.00 42.31 H new ATOM 0 HZ1 LYS A 131 -7.075 5.462 13.018 1.00 71.14 H new ATOM 0 HZ2 LYS A 131 -6.797 7.118 12.768 1.00 71.14 H new ATOM 0 HZ3 LYS A 131 -8.072 6.340 11.961 1.00 71.14 H new ATOM 1983 N VAL A 132 -2.324 5.408 7.644 1.00 61.33 N ATOM 1984 CA VAL A 132 -1.116 5.896 8.319 1.00 23.23 C ATOM 1985 C VAL A 132 -1.516 6.805 9.513 1.00 11.11 C ATOM 1986 O VAL A 132 -2.000 7.931 9.340 1.00 1.10 O ATOM 1987 CB VAL A 132 -0.114 6.618 7.346 1.00 60.12 C ATOM 1988 CG1 VAL A 132 -0.789 7.728 6.534 1.00 24.44 C ATOM 1989 CG2 VAL A 132 1.100 7.166 8.120 1.00 3.40 C ATOM 0 H VAL A 132 -2.448 5.751 6.691 1.00 61.33 H new ATOM 0 HA VAL A 132 -0.575 5.028 8.697 1.00 23.23 H new ATOM 0 HB VAL A 132 0.235 5.870 6.634 1.00 60.12 H new ATOM 0 HG11 VAL A 132 -0.055 8.196 5.877 1.00 24.44 H new ATOM 0 HG12 VAL A 132 -1.593 7.302 5.934 1.00 24.44 H new ATOM 0 HG13 VAL A 132 -1.199 8.477 7.212 1.00 24.44 H new ATOM 0 HG21 VAL A 132 1.780 7.661 7.427 1.00 3.40 H new ATOM 0 HG22 VAL A 132 0.761 7.881 8.869 1.00 3.40 H new ATOM 0 HG23 VAL A 132 1.619 6.344 8.612 1.00 3.40 H new ATOM 1999 N LYS A 133 -1.367 6.246 10.723 1.00 52.44 N ATOM 2000 CA LYS A 133 -1.703 6.932 11.984 1.00 64.22 C ATOM 2001 C LYS A 133 -0.581 7.923 12.358 1.00 51.34 C ATOM 2002 O LYS A 133 -0.854 9.036 12.826 1.00 74.35 O ATOM 2003 CB LYS A 133 -1.955 5.883 13.107 1.00 33.13 C ATOM 2004 CG LYS A 133 -0.752 4.967 13.435 1.00 32.33 C ATOM 2005 CD LYS A 133 -1.039 3.890 14.510 1.00 64.05 C ATOM 2006 CE LYS A 133 -1.332 4.450 15.916 1.00 11.10 C ATOM 2007 NZ LYS A 133 -2.698 5.025 16.054 1.00 65.11 N ATOM 0 H LYS A 133 -1.008 5.301 10.857 1.00 52.44 H new ATOM 0 HA LYS A 133 -2.621 7.507 11.859 1.00 64.22 H new ATOM 0 HB2 LYS A 133 -2.248 6.410 14.015 1.00 33.13 H new ATOM 0 HB3 LYS A 133 -2.799 5.257 12.815 1.00 33.13 H new ATOM 0 HG2 LYS A 133 -0.429 4.471 12.520 1.00 32.33 H new ATOM 0 HG3 LYS A 133 0.079 5.587 13.772 1.00 32.33 H new ATOM 0 HD2 LYS A 133 -1.890 3.291 14.187 1.00 64.05 H new ATOM 0 HD3 LYS A 133 -0.182 3.219 14.572 1.00 64.05 H new ATOM 0 HE2 LYS A 133 -1.206 3.653 16.649 1.00 11.10 H new ATOM 0 HE3 LYS A 133 -0.597 5.220 16.152 1.00 11.10 H new ATOM 0 HZ1 LYS A 133 -2.651 6.059 15.958 1.00 65.11 H new ATOM 0 HZ2 LYS A 133 -3.315 4.636 15.312 1.00 65.11 H new ATOM 0 HZ3 LYS A 133 -3.084 4.781 16.988 1.00 65.11 H new ATOM 2021 N GLU A 134 0.679 7.505 12.115 1.00 63.41 N ATOM 2022 CA GLU A 134 1.895 8.317 12.352 1.00 34.32 C ATOM 2023 C GLU A 134 2.938 7.980 11.270 1.00 42.50 C ATOM 2024 O GLU A 134 3.044 6.824 10.852 1.00 62.33 O ATOM 2025 CB GLU A 134 2.497 8.057 13.768 1.00 31.15 C ATOM 2026 CG GLU A 134 1.581 8.454 14.952 1.00 62.13 C ATOM 2027 CD GLU A 134 2.196 8.166 16.333 1.00 65.45 C ATOM 2028 OE1 GLU A 134 2.166 6.999 16.771 1.00 33.11 O ATOM 2029 OE2 GLU A 134 2.692 9.106 16.991 1.00 3.21 O ATOM 0 H GLU A 134 0.885 6.578 11.742 1.00 63.41 H new ATOM 0 HA GLU A 134 1.622 9.371 12.301 1.00 34.32 H new ATOM 0 HB2 GLU A 134 2.739 6.998 13.855 1.00 31.15 H new ATOM 0 HB3 GLU A 134 3.435 8.606 13.854 1.00 31.15 H new ATOM 0 HG2 GLU A 134 1.351 9.517 14.881 1.00 62.13 H new ATOM 0 HG3 GLU A 134 0.637 7.917 14.865 1.00 62.13 H new ATOM 2036 N GLY A 135 3.712 8.990 10.838 1.00 74.32 N ATOM 2037 CA GLY A 135 4.696 8.831 9.755 1.00 51.22 C ATOM 2038 C GLY A 135 4.133 9.232 8.393 1.00 3.14 C ATOM 2039 O GLY A 135 4.698 8.870 7.357 1.00 44.54 O ATOM 0 H GLY A 135 3.674 9.932 11.226 1.00 74.32 H new ATOM 0 HA2 GLY A 135 5.575 9.437 9.975 1.00 51.22 H new ATOM 0 HA3 GLY A 135 5.026 7.793 9.717 1.00 51.22 H new ATOM 2043 N MET A 136 3.010 9.988 8.409 1.00 5.24 N ATOM 2044 CA MET A 136 2.325 10.485 7.192 1.00 10.30 C ATOM 2045 C MET A 136 3.232 11.419 6.370 1.00 54.44 C ATOM 2046 O MET A 136 3.197 11.397 5.139 1.00 62.44 O ATOM 2047 CB MET A 136 1.000 11.200 7.588 1.00 63.41 C ATOM 2048 CG MET A 136 0.235 11.851 6.419 1.00 11.33 C ATOM 2049 SD MET A 136 -0.195 10.681 5.111 1.00 11.43 S ATOM 2050 CE MET A 136 -0.987 11.762 3.922 1.00 74.21 C ATOM 0 H MET A 136 2.550 10.272 9.274 1.00 5.24 H new ATOM 0 HA MET A 136 2.091 9.630 6.558 1.00 10.30 H new ATOM 0 HB2 MET A 136 0.345 10.476 8.072 1.00 63.41 H new ATOM 0 HB3 MET A 136 1.227 11.969 8.327 1.00 63.41 H new ATOM 0 HG2 MET A 136 -0.677 12.310 6.801 1.00 11.33 H new ATOM 0 HG3 MET A 136 0.842 12.651 5.997 1.00 11.33 H new ATOM 0 HE1 MET A 136 -1.874 11.272 3.519 1.00 74.21 H new ATOM 0 HE2 MET A 136 -1.277 12.691 4.412 1.00 74.21 H new ATOM 0 HE3 MET A 136 -0.293 11.981 3.110 1.00 74.21 H new ATOM 2060 N ASN A 137 4.063 12.206 7.078 1.00 21.22 N ATOM 2061 CA ASN A 137 5.036 13.129 6.462 1.00 23.13 C ATOM 2062 C ASN A 137 6.066 12.351 5.608 1.00 63.51 C ATOM 2063 O ASN A 137 6.494 12.827 4.557 1.00 64.35 O ATOM 2064 CB ASN A 137 5.770 13.962 7.557 1.00 61.14 C ATOM 2065 CG ASN A 137 4.846 14.817 8.449 1.00 74.14 C ATOM 2066 OD1 ASN A 137 3.706 14.443 8.742 1.00 21.03 O ATOM 2067 ND2 ASN A 137 5.337 15.963 8.905 1.00 22.44 N ATOM 0 H ASN A 137 4.079 12.220 8.098 1.00 21.22 H new ATOM 0 HA ASN A 137 4.489 13.810 5.811 1.00 23.13 H new ATOM 0 HB2 ASN A 137 6.336 13.281 8.192 1.00 61.14 H new ATOM 0 HB3 ASN A 137 6.491 14.619 7.071 1.00 61.14 H new ATOM 0 HD21 ASN A 137 4.770 16.556 9.511 1.00 22.44 H new ATOM 0 HD22 ASN A 137 6.282 16.251 8.649 1.00 22.44 H new ATOM 2074 N ILE A 138 6.423 11.130 6.066 1.00 64.23 N ATOM 2075 CA ILE A 138 7.384 10.256 5.365 1.00 44.43 C ATOM 2076 C ILE A 138 6.751 9.680 4.087 1.00 3.14 C ATOM 2077 O ILE A 138 7.431 9.532 3.075 1.00 43.31 O ATOM 2078 CB ILE A 138 7.889 9.087 6.290 1.00 53.24 C ATOM 2079 CG1 ILE A 138 8.460 9.638 7.631 1.00 42.23 C ATOM 2080 CG2 ILE A 138 8.937 8.196 5.574 1.00 63.32 C ATOM 2081 CD1 ILE A 138 9.638 10.596 7.489 1.00 61.14 C ATOM 0 H ILE A 138 6.054 10.727 6.927 1.00 64.23 H new ATOM 0 HA ILE A 138 8.246 10.866 5.096 1.00 44.43 H new ATOM 0 HB ILE A 138 7.025 8.462 6.516 1.00 53.24 H new ATOM 0 HG12 ILE A 138 7.659 10.149 8.166 1.00 42.23 H new ATOM 0 HG13 ILE A 138 8.770 8.795 8.249 1.00 42.23 H new ATOM 0 HG21 ILE A 138 9.260 7.401 6.247 1.00 63.32 H new ATOM 0 HG22 ILE A 138 8.492 7.757 4.681 1.00 63.32 H new ATOM 0 HG23 ILE A 138 9.797 8.802 5.290 1.00 63.32 H new ATOM 0 HD11 ILE A 138 9.962 10.923 8.477 1.00 61.14 H new ATOM 0 HD12 ILE A 138 10.461 10.088 6.986 1.00 61.14 H new ATOM 0 HD13 ILE A 138 9.334 11.463 6.902 1.00 61.14 H new ATOM 2093 N VAL A 139 5.437 9.384 4.151 1.00 21.11 N ATOM 2094 CA VAL A 139 4.659 8.908 2.991 1.00 71.31 C ATOM 2095 C VAL A 139 4.622 9.991 1.886 1.00 22.31 C ATOM 2096 O VAL A 139 4.860 9.713 0.706 1.00 61.04 O ATOM 2097 CB VAL A 139 3.192 8.515 3.398 1.00 15.22 C ATOM 2098 CG1 VAL A 139 2.379 8.057 2.171 1.00 12.13 C ATOM 2099 CG2 VAL A 139 3.188 7.430 4.500 1.00 21.40 C ATOM 0 H VAL A 139 4.887 9.468 5.006 1.00 21.11 H new ATOM 0 HA VAL A 139 5.155 8.016 2.609 1.00 71.31 H new ATOM 0 HB VAL A 139 2.713 9.405 3.805 1.00 15.22 H new ATOM 0 HG11 VAL A 139 1.369 7.791 2.482 1.00 12.13 H new ATOM 0 HG12 VAL A 139 2.333 8.866 1.442 1.00 12.13 H new ATOM 0 HG13 VAL A 139 2.859 7.189 1.720 1.00 12.13 H new ATOM 0 HG21 VAL A 139 2.160 7.179 4.760 1.00 21.40 H new ATOM 0 HG22 VAL A 139 3.697 6.538 4.135 1.00 21.40 H new ATOM 0 HG23 VAL A 139 3.704 7.806 5.383 1.00 21.40 H new ATOM 2109 N GLU A 140 4.352 11.232 2.305 1.00 63.51 N ATOM 2110 CA GLU A 140 4.308 12.403 1.408 1.00 74.14 C ATOM 2111 C GLU A 140 5.712 12.744 0.867 1.00 2.10 C ATOM 2112 O GLU A 140 5.839 13.307 -0.220 1.00 22.32 O ATOM 2113 CB GLU A 140 3.679 13.601 2.162 1.00 14.35 C ATOM 2114 CG GLU A 140 2.233 13.334 2.635 1.00 33.13 C ATOM 2115 CD GLU A 140 1.650 14.461 3.494 1.00 32.54 C ATOM 2116 OE1 GLU A 140 1.042 15.399 2.938 1.00 23.02 O ATOM 2117 OE2 GLU A 140 1.791 14.413 4.731 1.00 71.45 O ATOM 0 H GLU A 140 4.156 11.459 3.280 1.00 63.51 H new ATOM 0 HA GLU A 140 3.687 12.169 0.543 1.00 74.14 H new ATOM 0 HB2 GLU A 140 4.298 13.843 3.026 1.00 14.35 H new ATOM 0 HB3 GLU A 140 3.685 14.475 1.511 1.00 14.35 H new ATOM 0 HG2 GLU A 140 1.596 13.187 1.763 1.00 33.13 H new ATOM 0 HG3 GLU A 140 2.212 12.406 3.206 1.00 33.13 H new ATOM 2124 N ALA A 141 6.755 12.382 1.634 1.00 71.12 N ATOM 2125 CA ALA A 141 8.161 12.570 1.231 1.00 20.42 C ATOM 2126 C ALA A 141 8.557 11.584 0.113 1.00 54.41 C ATOM 2127 O ALA A 141 8.958 12.011 -0.983 1.00 65.13 O ATOM 2128 CB ALA A 141 9.081 12.437 2.454 1.00 14.52 C ATOM 0 H ALA A 141 6.648 11.950 2.552 1.00 71.12 H new ATOM 0 HA ALA A 141 8.276 13.575 0.825 1.00 20.42 H new ATOM 0 HB1 ALA A 141 10.117 12.577 2.147 1.00 14.52 H new ATOM 0 HB2 ALA A 141 8.816 13.193 3.193 1.00 14.52 H new ATOM 0 HB3 ALA A 141 8.963 11.446 2.892 1.00 14.52 H new ATOM 2134 N MET A 142 8.384 10.271 0.391 1.00 63.14 N ATOM 2135 CA MET A 142 8.752 9.179 -0.538 1.00 23.24 C ATOM 2136 C MET A 142 7.970 9.266 -1.863 1.00 53.32 C ATOM 2137 O MET A 142 8.516 8.984 -2.932 1.00 32.43 O ATOM 2138 CB MET A 142 8.525 7.783 0.118 1.00 35.14 C ATOM 2139 CG MET A 142 7.076 7.511 0.558 1.00 2.44 C ATOM 2140 SD MET A 142 6.799 5.853 1.214 1.00 64.31 S ATOM 2141 CE MET A 142 6.777 4.867 -0.279 1.00 65.30 C ATOM 0 H MET A 142 7.984 9.939 1.269 1.00 63.14 H new ATOM 0 HA MET A 142 9.813 9.298 -0.760 1.00 23.24 H new ATOM 0 HB2 MET A 142 8.827 7.010 -0.589 1.00 35.14 H new ATOM 0 HB3 MET A 142 9.178 7.694 0.986 1.00 35.14 H new ATOM 0 HG2 MET A 142 6.796 8.241 1.317 1.00 2.44 H new ATOM 0 HG3 MET A 142 6.414 7.667 -0.294 1.00 2.44 H new ATOM 0 HE1 MET A 142 5.786 4.435 -0.415 1.00 65.30 H new ATOM 0 HE2 MET A 142 7.019 5.497 -1.135 1.00 65.30 H new ATOM 0 HE3 MET A 142 7.513 4.067 -0.198 1.00 65.30 H new ATOM 2151 N GLU A 143 6.700 9.696 -1.779 1.00 24.33 N ATOM 2152 CA GLU A 143 5.782 9.713 -2.923 1.00 14.12 C ATOM 2153 C GLU A 143 6.225 10.713 -4.012 1.00 52.32 C ATOM 2154 O GLU A 143 6.021 10.493 -5.212 1.00 25.41 O ATOM 2155 CB GLU A 143 4.355 10.034 -2.454 1.00 24.14 C ATOM 2156 CG GLU A 143 3.294 9.848 -3.548 1.00 65.50 C ATOM 2157 CD GLU A 143 1.903 10.212 -3.071 1.00 22.33 C ATOM 2158 OE1 GLU A 143 1.282 9.401 -2.356 1.00 35.31 O ATOM 2159 OE2 GLU A 143 1.431 11.319 -3.388 1.00 12.02 O ATOM 0 H GLU A 143 6.284 10.041 -0.914 1.00 24.33 H new ATOM 0 HA GLU A 143 5.801 8.719 -3.370 1.00 14.12 H new ATOM 0 HB2 GLU A 143 4.107 9.395 -1.606 1.00 24.14 H new ATOM 0 HB3 GLU A 143 4.321 11.064 -2.098 1.00 24.14 H new ATOM 0 HG2 GLU A 143 3.552 10.464 -4.409 1.00 65.50 H new ATOM 0 HG3 GLU A 143 3.300 8.811 -3.884 1.00 65.50 H new ATOM 2166 N ARG A 144 6.854 11.803 -3.578 1.00 41.31 N ATOM 2167 CA ARG A 144 7.318 12.871 -4.475 1.00 44.02 C ATOM 2168 C ARG A 144 8.651 12.512 -5.151 1.00 32.03 C ATOM 2169 O ARG A 144 9.116 13.236 -6.033 1.00 0.02 O ATOM 2170 CB ARG A 144 7.345 14.212 -3.714 1.00 63.21 C ATOM 2171 CG ARG A 144 5.947 14.587 -3.160 1.00 13.21 C ATOM 2172 CD ARG A 144 5.913 15.912 -2.396 1.00 32.32 C ATOM 2173 NE ARG A 144 4.622 16.102 -1.718 1.00 1.23 N ATOM 2174 CZ ARG A 144 4.244 17.202 -1.054 1.00 63.05 C ATOM 2175 NH1 ARG A 144 5.058 18.253 -0.954 1.00 54.00 N ATOM 2176 NH2 ARG A 144 3.044 17.247 -0.493 1.00 33.31 N ATOM 0 H ARG A 144 7.059 11.975 -2.594 1.00 41.31 H new ATOM 0 HA ARG A 144 6.612 12.983 -5.298 1.00 44.02 H new ATOM 0 HB2 ARG A 144 8.057 14.149 -2.891 1.00 63.21 H new ATOM 0 HB3 ARG A 144 7.696 15.001 -4.379 1.00 63.21 H new ATOM 0 HG2 ARG A 144 5.242 14.640 -3.989 1.00 13.21 H new ATOM 0 HG3 ARG A 144 5.604 13.790 -2.500 1.00 13.21 H new ATOM 0 HD2 ARG A 144 6.719 15.932 -1.662 1.00 32.32 H new ATOM 0 HD3 ARG A 144 6.089 16.737 -3.086 1.00 32.32 H new ATOM 0 HE ARG A 144 3.957 15.329 -1.757 1.00 1.23 H new ATOM 0 HH11 ARG A 144 5.982 18.226 -1.386 1.00 54.00 H new ATOM 0 HH12 ARG A 144 4.757 19.084 -0.445 1.00 54.00 H new ATOM 0 HH21 ARG A 144 2.415 16.447 -0.569 1.00 33.31 H new ATOM 0 HH22 ARG A 144 2.749 18.081 0.014 1.00 33.31 H new ATOM 2190 N PHE A 145 9.253 11.378 -4.735 1.00 41.02 N ATOM 2191 CA PHE A 145 10.384 10.752 -5.448 1.00 62.13 C ATOM 2192 C PHE A 145 9.883 9.825 -6.587 1.00 51.30 C ATOM 2193 O PHE A 145 10.684 9.116 -7.209 1.00 61.14 O ATOM 2194 CB PHE A 145 11.264 9.953 -4.455 1.00 20.23 C ATOM 2195 CG PHE A 145 11.961 10.808 -3.399 1.00 63.13 C ATOM 2196 CD1 PHE A 145 12.852 11.813 -3.773 1.00 1.45 C ATOM 2197 CD2 PHE A 145 11.741 10.604 -2.039 1.00 42.43 C ATOM 2198 CE1 PHE A 145 13.494 12.579 -2.821 1.00 72.15 C ATOM 2199 CE2 PHE A 145 12.382 11.372 -1.090 1.00 2.41 C ATOM 2200 CZ PHE A 145 13.256 12.360 -1.480 1.00 45.52 C ATOM 0 H PHE A 145 8.968 10.872 -3.896 1.00 41.02 H new ATOM 0 HA PHE A 145 10.983 11.545 -5.897 1.00 62.13 H new ATOM 0 HB2 PHE A 145 10.642 9.212 -3.952 1.00 20.23 H new ATOM 0 HB3 PHE A 145 12.020 9.405 -5.018 1.00 20.23 H new ATOM 0 HD1 PHE A 145 13.042 11.994 -4.821 1.00 1.45 H new ATOM 0 HD2 PHE A 145 11.057 9.831 -1.722 1.00 42.43 H new ATOM 0 HE1 PHE A 145 14.184 13.351 -3.127 1.00 72.15 H new ATOM 0 HE2 PHE A 145 12.198 11.198 -0.040 1.00 2.41 H new ATOM 0 HZ PHE A 145 13.756 12.964 -0.737 1.00 45.52 H new ATOM 2210 N GLY A 146 8.555 9.813 -6.832 1.00 54.41 N ATOM 2211 CA GLY A 146 7.966 9.101 -7.972 1.00 43.25 C ATOM 2212 C GLY A 146 7.785 10.003 -9.190 1.00 70.31 C ATOM 2213 O GLY A 146 8.271 11.139 -9.209 1.00 65.32 O ATOM 0 H GLY A 146 7.872 10.294 -6.247 1.00 54.41 H new ATOM 0 HA2 GLY A 146 8.603 8.258 -8.239 1.00 43.25 H new ATOM 0 HA3 GLY A 146 6.999 8.690 -7.680 1.00 43.25 H new ATOM 2217 N SER A 147 7.086 9.496 -10.215 1.00 71.02 N ATOM 2218 CA SER A 147 6.831 10.231 -11.474 1.00 2.43 C ATOM 2219 C SER A 147 5.342 10.114 -11.845 1.00 13.20 C ATOM 2220 O SER A 147 4.652 9.222 -11.357 1.00 70.54 O ATOM 2221 CB SER A 147 7.727 9.669 -12.605 1.00 43.30 C ATOM 2222 OG SER A 147 9.082 9.578 -12.192 1.00 3.23 O ATOM 0 H SER A 147 6.678 8.561 -10.200 1.00 71.02 H new ATOM 0 HA SER A 147 7.075 11.285 -11.338 1.00 2.43 H new ATOM 0 HB2 SER A 147 7.368 8.683 -12.901 1.00 43.30 H new ATOM 0 HB3 SER A 147 7.654 10.311 -13.483 1.00 43.30 H new ATOM 0 HG SER A 147 9.210 8.759 -11.669 1.00 3.23 H new ATOM 2228 N ARG A 148 4.873 10.999 -12.735 1.00 43.42 N ATOM 2229 CA ARG A 148 3.440 11.130 -13.092 1.00 72.51 C ATOM 2230 C ARG A 148 2.919 9.946 -13.935 1.00 5.44 C ATOM 2231 O ARG A 148 1.706 9.737 -14.034 1.00 72.14 O ATOM 2232 CB ARG A 148 3.233 12.471 -13.839 1.00 13.33 C ATOM 2233 CG ARG A 148 3.661 13.708 -13.019 1.00 53.33 C ATOM 2234 CD ARG A 148 2.765 13.952 -11.796 1.00 24.23 C ATOM 2235 NE ARG A 148 1.416 14.371 -12.202 1.00 33.45 N ATOM 2236 CZ ARG A 148 0.525 14.993 -11.425 1.00 22.21 C ATOM 2237 NH1 ARG A 148 0.797 15.277 -10.153 1.00 45.41 N ATOM 2238 NH2 ARG A 148 -0.643 15.346 -11.939 1.00 62.42 N ATOM 0 H ARG A 148 5.476 11.652 -13.235 1.00 43.42 H new ATOM 0 HA ARG A 148 2.860 11.118 -12.169 1.00 72.51 H new ATOM 0 HB2 ARG A 148 3.799 12.449 -14.770 1.00 13.33 H new ATOM 0 HB3 ARG A 148 2.181 12.569 -14.107 1.00 13.33 H new ATOM 0 HG2 ARG A 148 4.692 13.580 -12.688 1.00 53.33 H new ATOM 0 HG3 ARG A 148 3.639 14.589 -13.661 1.00 53.33 H new ATOM 0 HD2 ARG A 148 2.702 13.041 -11.200 1.00 24.23 H new ATOM 0 HD3 ARG A 148 3.211 14.718 -11.162 1.00 24.23 H new ATOM 0 HE ARG A 148 1.135 14.169 -13.162 1.00 33.45 H new ATOM 0 HH11 ARG A 148 1.700 15.019 -9.755 1.00 45.41 H new ATOM 0 HH12 ARG A 148 0.103 15.753 -9.577 1.00 45.41 H new ATOM 0 HH21 ARG A 148 -0.853 15.142 -12.916 1.00 62.42 H new ATOM 0 HH22 ARG A 148 -1.333 15.822 -11.358 1.00 62.42 H new ATOM 2252 N ASN A 149 3.849 9.199 -14.552 1.00 13.20 N ATOM 2253 CA ASN A 149 3.541 7.957 -15.297 1.00 24.14 C ATOM 2254 C ASN A 149 3.509 6.742 -14.347 1.00 33.43 C ATOM 2255 O ASN A 149 2.888 5.720 -14.652 1.00 31.35 O ATOM 2256 CB ASN A 149 4.580 7.734 -16.435 1.00 21.41 C ATOM 2257 CG ASN A 149 6.027 7.521 -15.958 1.00 64.04 C ATOM 2258 OD1 ASN A 149 6.433 8.001 -14.903 1.00 44.33 O ATOM 2259 ND2 ASN A 149 6.826 6.825 -16.748 1.00 72.13 N ATOM 0 H ASN A 149 4.841 9.436 -14.551 1.00 13.20 H new ATOM 0 HA ASN A 149 2.553 8.063 -15.746 1.00 24.14 H new ATOM 0 HB2 ASN A 149 4.275 6.867 -17.021 1.00 21.41 H new ATOM 0 HB3 ASN A 149 4.556 8.595 -17.103 1.00 21.41 H new ATOM 0 HD21 ASN A 149 7.801 6.678 -16.486 1.00 72.13 H new ATOM 0 HD22 ASN A 149 6.468 6.435 -17.620 1.00 72.13 H new ATOM 2266 N GLY A 150 4.172 6.887 -13.183 1.00 5.03 N ATOM 2267 CA GLY A 150 4.267 5.825 -12.177 1.00 32.33 C ATOM 2268 C GLY A 150 5.695 5.396 -11.894 1.00 20.50 C ATOM 2269 O GLY A 150 5.933 4.668 -10.942 1.00 24.41 O ATOM 0 H GLY A 150 4.655 7.746 -12.919 1.00 5.03 H new ATOM 0 HA2 GLY A 150 3.807 6.169 -11.250 1.00 32.33 H new ATOM 0 HA3 GLY A 150 3.695 4.961 -12.515 1.00 32.33 H new ATOM 2273 N LYS A 151 6.656 5.834 -12.717 1.00 64.30 N ATOM 2274 CA LYS A 151 8.069 5.437 -12.562 1.00 44.42 C ATOM 2275 C LYS A 151 8.645 5.968 -11.231 1.00 33.45 C ATOM 2276 O LYS A 151 8.385 7.104 -10.847 1.00 43.43 O ATOM 2277 CB LYS A 151 8.896 5.974 -13.755 1.00 14.10 C ATOM 2278 CG LYS A 151 10.379 5.528 -13.767 1.00 73.10 C ATOM 2279 CD LYS A 151 11.191 6.202 -14.895 1.00 52.30 C ATOM 2280 CE LYS A 151 11.268 7.729 -14.730 1.00 11.11 C ATOM 2281 NZ LYS A 151 11.954 8.374 -15.879 1.00 62.24 N ATOM 0 H LYS A 151 6.484 6.465 -13.500 1.00 64.30 H new ATOM 0 HA LYS A 151 8.126 4.349 -12.546 1.00 44.42 H new ATOM 0 HB2 LYS A 151 8.425 5.648 -14.682 1.00 14.10 H new ATOM 0 HB3 LYS A 151 8.858 7.063 -13.745 1.00 14.10 H new ATOM 0 HG2 LYS A 151 10.834 5.765 -12.805 1.00 73.10 H new ATOM 0 HG3 LYS A 151 10.428 4.446 -13.885 1.00 73.10 H new ATOM 0 HD2 LYS A 151 12.200 5.789 -14.909 1.00 52.30 H new ATOM 0 HD3 LYS A 151 10.737 5.966 -15.857 1.00 52.30 H new ATOM 0 HE2 LYS A 151 10.261 8.135 -14.633 1.00 11.11 H new ATOM 0 HE3 LYS A 151 11.799 7.969 -13.809 1.00 11.11 H new ATOM 0 HZ1 LYS A 151 11.986 9.403 -15.731 1.00 62.24 H new ATOM 0 HZ2 LYS A 151 12.923 8.005 -15.956 1.00 62.24 H new ATOM 0 HZ3 LYS A 151 11.434 8.166 -16.755 1.00 62.24 H new ATOM 2295 N THR A 152 9.416 5.135 -10.527 1.00 55.45 N ATOM 2296 CA THR A 152 10.096 5.532 -9.290 1.00 70.13 C ATOM 2297 C THR A 152 11.499 6.062 -9.634 1.00 24.11 C ATOM 2298 O THR A 152 12.348 5.320 -10.140 1.00 33.33 O ATOM 2299 CB THR A 152 10.165 4.331 -8.284 1.00 64.11 C ATOM 2300 OG1 THR A 152 10.622 3.147 -8.958 1.00 54.41 O ATOM 2301 CG2 THR A 152 8.795 4.051 -7.644 1.00 43.11 C ATOM 0 H THR A 152 9.587 4.167 -10.798 1.00 55.45 H new ATOM 0 HA THR A 152 9.531 6.326 -8.802 1.00 70.13 H new ATOM 0 HB THR A 152 10.866 4.604 -7.495 1.00 64.11 H new ATOM 0 HG1 THR A 152 11.358 3.378 -9.562 1.00 54.41 H new ATOM 0 HG21 THR A 152 8.881 3.213 -6.953 1.00 43.11 H new ATOM 0 HG22 THR A 152 8.459 4.935 -7.102 1.00 43.11 H new ATOM 0 HG23 THR A 152 8.073 3.807 -8.423 1.00 43.11 H new ATOM 2309 N SER A 153 11.709 7.371 -9.405 1.00 63.12 N ATOM 2310 CA SER A 153 12.989 8.046 -9.691 1.00 30.02 C ATOM 2311 C SER A 153 14.090 7.530 -8.749 1.00 11.11 C ATOM 2312 O SER A 153 15.253 7.380 -9.140 1.00 3.51 O ATOM 2313 CB SER A 153 12.830 9.579 -9.552 1.00 72.10 C ATOM 2314 OG SER A 153 14.019 10.263 -9.920 1.00 32.53 O ATOM 0 H SER A 153 10.997 7.990 -9.017 1.00 63.12 H new ATOM 0 HA SER A 153 13.281 7.820 -10.717 1.00 30.02 H new ATOM 0 HB2 SER A 153 12.005 9.918 -10.179 1.00 72.10 H new ATOM 0 HB3 SER A 153 12.571 9.827 -8.523 1.00 72.10 H new ATOM 0 HG SER A 153 13.884 11.229 -9.822 1.00 32.53 H new ATOM 2320 N LYS A 154 13.682 7.238 -7.513 1.00 14.01 N ATOM 2321 CA LYS A 154 14.559 6.713 -6.465 1.00 73.53 C ATOM 2322 C LYS A 154 14.193 5.253 -6.180 1.00 71.31 C ATOM 2323 O LYS A 154 13.032 4.855 -6.374 1.00 65.50 O ATOM 2324 CB LYS A 154 14.392 7.565 -5.188 1.00 41.10 C ATOM 2325 CG LYS A 154 14.719 9.067 -5.357 1.00 25.31 C ATOM 2326 CD LYS A 154 16.192 9.322 -5.708 1.00 11.30 C ATOM 2327 CE LYS A 154 16.560 10.808 -5.745 1.00 54.25 C ATOM 2328 NZ LYS A 154 18.020 10.993 -5.967 1.00 73.24 N ATOM 0 H LYS A 154 12.717 7.362 -7.207 1.00 14.01 H new ATOM 0 HA LYS A 154 15.598 6.760 -6.791 1.00 73.53 H new ATOM 0 HB2 LYS A 154 13.364 7.470 -4.838 1.00 41.10 H new ATOM 0 HB3 LYS A 154 15.034 7.154 -4.409 1.00 41.10 H new ATOM 0 HG2 LYS A 154 14.086 9.486 -6.140 1.00 25.31 H new ATOM 0 HG3 LYS A 154 14.474 9.593 -4.434 1.00 25.31 H new ATOM 0 HD2 LYS A 154 16.824 8.817 -4.978 1.00 11.30 H new ATOM 0 HD3 LYS A 154 16.409 8.877 -6.679 1.00 11.30 H new ATOM 0 HE2 LYS A 154 16.002 11.304 -6.539 1.00 54.25 H new ATOM 0 HE3 LYS A 154 16.269 11.281 -4.807 1.00 54.25 H new ATOM 0 HZ1 LYS A 154 18.242 12.009 -5.988 1.00 73.24 H new ATOM 0 HZ2 LYS A 154 18.549 10.539 -5.195 1.00 73.24 H new ATOM 0 HZ3 LYS A 154 18.291 10.561 -6.873 1.00 73.24 H new ATOM 2342 N LYS A 155 15.179 4.456 -5.720 1.00 22.44 N ATOM 2343 CA LYS A 155 14.944 3.054 -5.355 1.00 13.32 C ATOM 2344 C LYS A 155 14.301 3.013 -3.960 1.00 22.53 C ATOM 2345 O LYS A 155 14.989 2.943 -2.938 1.00 3.42 O ATOM 2346 CB LYS A 155 16.276 2.246 -5.390 1.00 33.53 C ATOM 2347 CG LYS A 155 16.148 0.749 -4.990 1.00 15.15 C ATOM 2348 CD LYS A 155 15.237 -0.060 -5.947 1.00 62.42 C ATOM 2349 CE LYS A 155 15.785 -0.122 -7.386 1.00 71.13 C ATOM 2350 NZ LYS A 155 14.881 -0.870 -8.301 1.00 2.12 N ATOM 0 H LYS A 155 16.143 4.764 -5.594 1.00 22.44 H new ATOM 0 HA LYS A 155 14.270 2.590 -6.075 1.00 13.32 H new ATOM 0 HB2 LYS A 155 16.692 2.303 -6.396 1.00 33.53 H new ATOM 0 HB3 LYS A 155 16.992 2.725 -4.722 1.00 33.53 H new ATOM 0 HG2 LYS A 155 17.140 0.297 -4.974 1.00 15.15 H new ATOM 0 HG3 LYS A 155 15.751 0.682 -3.977 1.00 15.15 H new ATOM 0 HD2 LYS A 155 15.124 -1.074 -5.563 1.00 62.42 H new ATOM 0 HD3 LYS A 155 14.244 0.388 -5.961 1.00 62.42 H new ATOM 0 HE2 LYS A 155 15.924 0.891 -7.764 1.00 71.13 H new ATOM 0 HE3 LYS A 155 16.766 -0.597 -7.379 1.00 71.13 H new ATOM 0 HZ1 LYS A 155 15.290 -0.886 -9.257 1.00 2.12 H new ATOM 0 HZ2 LYS A 155 14.768 -1.845 -7.957 1.00 2.12 H new ATOM 0 HZ3 LYS A 155 13.952 -0.403 -8.330 1.00 2.12 H new ATOM 2364 N ILE A 156 12.969 3.073 -3.926 1.00 4.51 N ATOM 2365 CA ILE A 156 12.212 3.089 -2.677 1.00 35.44 C ATOM 2366 C ILE A 156 11.826 1.655 -2.316 1.00 13.20 C ATOM 2367 O ILE A 156 11.169 0.963 -3.098 1.00 31.44 O ATOM 2368 CB ILE A 156 10.951 4.015 -2.775 1.00 13.35 C ATOM 2369 CG1 ILE A 156 11.381 5.444 -3.239 1.00 62.51 C ATOM 2370 CG2 ILE A 156 10.206 4.073 -1.417 1.00 10.20 C ATOM 2371 CD1 ILE A 156 10.245 6.416 -3.461 1.00 54.25 C ATOM 0 H ILE A 156 12.387 3.112 -4.763 1.00 4.51 H new ATOM 0 HA ILE A 156 12.837 3.505 -1.887 1.00 35.44 H new ATOM 0 HB ILE A 156 10.263 3.600 -3.512 1.00 13.35 H new ATOM 0 HG12 ILE A 156 12.056 5.863 -2.493 1.00 62.51 H new ATOM 0 HG13 ILE A 156 11.947 5.353 -4.166 1.00 62.51 H new ATOM 0 HG21 ILE A 156 9.334 4.721 -1.508 1.00 10.20 H new ATOM 0 HG22 ILE A 156 9.885 3.070 -1.135 1.00 10.20 H new ATOM 0 HG23 ILE A 156 10.874 4.469 -0.652 1.00 10.20 H new ATOM 0 HD11 ILE A 156 10.646 7.378 -3.781 1.00 54.25 H new ATOM 0 HD12 ILE A 156 9.578 6.027 -4.231 1.00 54.25 H new ATOM 0 HD13 ILE A 156 9.690 6.545 -2.532 1.00 54.25 H new ATOM 2383 N THR A 157 12.304 1.212 -1.153 1.00 30.44 N ATOM 2384 CA THR A 157 12.107 -0.140 -0.628 1.00 22.44 C ATOM 2385 C THR A 157 11.675 -0.050 0.840 1.00 74.42 C ATOM 2386 O THR A 157 12.134 0.845 1.562 1.00 21.13 O ATOM 2387 CB THR A 157 13.444 -0.967 -0.725 1.00 54.34 C ATOM 2388 OG1 THR A 157 14.521 -0.237 -0.102 1.00 34.10 O ATOM 2389 CG2 THR A 157 13.831 -1.285 -2.180 1.00 13.34 C ATOM 0 H THR A 157 12.856 1.802 -0.531 1.00 30.44 H new ATOM 0 HA THR A 157 11.338 -0.641 -1.217 1.00 22.44 H new ATOM 0 HB THR A 157 13.273 -1.911 -0.207 1.00 54.34 H new ATOM 0 HG1 THR A 157 15.349 -0.758 -0.165 1.00 34.10 H new ATOM 0 HG21 THR A 157 14.759 -1.856 -2.193 1.00 13.34 H new ATOM 0 HG22 THR A 157 13.039 -1.869 -2.648 1.00 13.34 H new ATOM 0 HG23 THR A 157 13.970 -0.355 -2.731 1.00 13.34 H new ATOM 2397 N ILE A 158 10.794 -0.957 1.275 1.00 11.20 N ATOM 2398 CA ILE A 158 10.510 -1.165 2.695 1.00 35.14 C ATOM 2399 C ILE A 158 11.722 -1.891 3.309 1.00 31.13 C ATOM 2400 O ILE A 158 11.817 -3.114 3.218 1.00 2.10 O ATOM 2401 CB ILE A 158 9.193 -2.009 2.914 1.00 62.23 C ATOM 2402 CG1 ILE A 158 7.949 -1.276 2.318 1.00 22.12 C ATOM 2403 CG2 ILE A 158 8.983 -2.338 4.409 1.00 51.24 C ATOM 2404 CD1 ILE A 158 6.619 -2.006 2.488 1.00 14.22 C ATOM 0 H ILE A 158 10.260 -1.565 0.653 1.00 11.20 H new ATOM 0 HA ILE A 158 10.346 -0.202 3.178 1.00 35.14 H new ATOM 0 HB ILE A 158 9.310 -2.952 2.380 1.00 62.23 H new ATOM 0 HG12 ILE A 158 7.868 -0.294 2.785 1.00 22.12 H new ATOM 0 HG13 ILE A 158 8.120 -1.110 1.254 1.00 22.12 H new ATOM 0 HG21 ILE A 158 8.069 -2.919 4.529 1.00 51.24 H new ATOM 0 HG22 ILE A 158 9.831 -2.915 4.777 1.00 51.24 H new ATOM 0 HG23 ILE A 158 8.901 -1.412 4.977 1.00 51.24 H new ATOM 0 HD11 ILE A 158 5.820 -1.415 2.041 1.00 14.22 H new ATOM 0 HD12 ILE A 158 6.671 -2.977 1.995 1.00 14.22 H new ATOM 0 HD13 ILE A 158 6.415 -2.148 3.549 1.00 14.22 H new ATOM 2416 N ALA A 159 12.668 -1.105 3.856 1.00 45.31 N ATOM 2417 CA ALA A 159 13.925 -1.612 4.425 1.00 35.13 C ATOM 2418 C ALA A 159 13.652 -2.670 5.493 1.00 72.33 C ATOM 2419 O ALA A 159 14.076 -3.818 5.360 1.00 41.42 O ATOM 2420 CB ALA A 159 14.736 -0.444 5.000 1.00 1.31 C ATOM 0 H ALA A 159 12.578 -0.091 3.915 1.00 45.31 H new ATOM 0 HA ALA A 159 14.506 -2.088 3.635 1.00 35.13 H new ATOM 0 HB1 ALA A 159 15.668 -0.821 5.422 1.00 1.31 H new ATOM 0 HB2 ALA A 159 14.959 0.269 4.207 1.00 1.31 H new ATOM 0 HB3 ALA A 159 14.158 0.051 5.781 1.00 1.31 H new ATOM 2426 N ASP A 160 12.880 -2.286 6.515 1.00 70.04 N ATOM 2427 CA ASP A 160 12.609 -3.150 7.672 1.00 51.20 C ATOM 2428 C ASP A 160 11.126 -3.123 8.064 1.00 5.30 C ATOM 2429 O ASP A 160 10.315 -2.392 7.486 1.00 60.12 O ATOM 2430 CB ASP A 160 13.496 -2.738 8.878 1.00 75.01 C ATOM 2431 CG ASP A 160 14.997 -2.972 8.647 1.00 23.12 C ATOM 2432 OD1 ASP A 160 15.485 -4.095 8.899 1.00 60.11 O ATOM 2433 OD2 ASP A 160 15.698 -2.037 8.212 1.00 51.54 O ATOM 0 H ASP A 160 12.427 -1.373 6.565 1.00 70.04 H new ATOM 0 HA ASP A 160 12.856 -4.172 7.385 1.00 51.20 H new ATOM 0 HB2 ASP A 160 13.331 -1.683 9.096 1.00 75.01 H new ATOM 0 HB3 ASP A 160 13.181 -3.298 9.758 1.00 75.01 H new ATOM 2438 N CYS A 161 10.822 -3.940 9.074 1.00 74.31 N ATOM 2439 CA CYS A 161 9.485 -4.160 9.628 1.00 40.11 C ATOM 2440 C CYS A 161 9.635 -4.377 11.147 1.00 71.23 C ATOM 2441 O CYS A 161 10.715 -4.121 11.700 1.00 12.34 O ATOM 2442 CB CYS A 161 8.828 -5.368 8.922 1.00 13.03 C ATOM 2443 SG CYS A 161 9.809 -6.886 9.002 1.00 74.32 S ATOM 0 H CYS A 161 11.535 -4.492 9.550 1.00 74.31 H new ATOM 0 HA CYS A 161 8.834 -3.302 9.461 1.00 40.11 H new ATOM 0 HB2 CYS A 161 7.853 -5.553 9.372 1.00 13.03 H new ATOM 0 HB3 CYS A 161 8.653 -5.114 7.876 1.00 13.03 H new ATOM 0 HG CYS A 161 9.179 -7.843 8.387 1.00 74.32 H new ATOM 2449 N GLY A 162 8.565 -4.812 11.828 1.00 55.13 N ATOM 2450 CA GLY A 162 8.557 -4.900 13.292 1.00 64.51 C ATOM 2451 C GLY A 162 7.320 -4.234 13.840 1.00 65.13 C ATOM 2452 O GLY A 162 7.403 -3.324 14.674 1.00 30.43 O ATOM 0 H GLY A 162 7.695 -5.108 11.386 1.00 55.13 H new ATOM 0 HA2 GLY A 162 8.586 -5.945 13.602 1.00 64.51 H new ATOM 0 HA3 GLY A 162 9.448 -4.422 13.699 1.00 64.51 H new ATOM 2456 N GLN A 163 6.168 -4.675 13.303 1.00 42.31 N ATOM 2457 CA GLN A 163 4.855 -4.056 13.529 1.00 42.02 C ATOM 2458 C GLN A 163 4.468 -3.897 15.019 1.00 33.25 C ATOM 2459 O GLN A 163 4.900 -4.667 15.881 1.00 22.13 O ATOM 2460 CB GLN A 163 3.763 -4.829 12.763 1.00 23.44 C ATOM 2461 CG GLN A 163 3.579 -6.301 13.127 1.00 2.00 C ATOM 2462 CD GLN A 163 2.319 -6.877 12.486 1.00 73.45 C ATOM 2463 OE1 GLN A 163 2.341 -7.378 11.365 1.00 12.03 O ATOM 2464 NE2 GLN A 163 1.204 -6.779 13.189 1.00 22.45 N ATOM 0 H GLN A 163 6.126 -5.488 12.688 1.00 42.31 H new ATOM 0 HA GLN A 163 4.935 -3.040 13.142 1.00 42.02 H new ATOM 0 HB2 GLN A 163 2.812 -4.319 12.919 1.00 23.44 H new ATOM 0 HB3 GLN A 163 3.987 -4.768 11.698 1.00 23.44 H new ATOM 0 HG2 GLN A 163 4.449 -6.870 12.800 1.00 2.00 H new ATOM 0 HG3 GLN A 163 3.519 -6.405 14.210 1.00 2.00 H new ATOM 0 HE21 GLN A 163 1.222 -6.357 14.117 1.00 22.45 H new ATOM 0 HE22 GLN A 163 0.326 -7.125 12.803 1.00 22.45 H new ATOM 2473 N LEU A 164 3.623 -2.883 15.277 1.00 11.10 N ATOM 2474 CA LEU A 164 3.284 -2.406 16.624 1.00 34.04 C ATOM 2475 C LEU A 164 2.083 -3.180 17.196 1.00 13.14 C ATOM 2476 O LEU A 164 0.981 -3.138 16.627 1.00 75.44 O ATOM 2477 CB LEU A 164 2.985 -0.883 16.562 1.00 63.33 C ATOM 2478 CG LEU A 164 4.132 0.005 15.986 1.00 73.11 C ATOM 2479 CD1 LEU A 164 3.722 1.489 15.922 1.00 35.43 C ATOM 2480 CD2 LEU A 164 5.449 -0.185 16.772 1.00 62.10 C ATOM 0 H LEU A 164 3.149 -2.364 14.538 1.00 11.10 H new ATOM 0 HA LEU A 164 4.129 -2.580 17.291 1.00 34.04 H new ATOM 0 HB2 LEU A 164 2.092 -0.730 15.956 1.00 63.33 H new ATOM 0 HB3 LEU A 164 2.751 -0.535 17.568 1.00 63.33 H new ATOM 0 HG LEU A 164 4.314 -0.327 14.964 1.00 73.11 H new ATOM 0 HD11 LEU A 164 4.545 2.077 15.516 1.00 35.43 H new ATOM 0 HD12 LEU A 164 2.848 1.598 15.280 1.00 35.43 H new ATOM 0 HD13 LEU A 164 3.483 1.844 16.924 1.00 35.43 H new ATOM 0 HD21 LEU A 164 6.224 0.449 16.342 1.00 62.10 H new ATOM 0 HD22 LEU A 164 5.293 0.090 17.815 1.00 62.10 H new ATOM 0 HD23 LEU A 164 5.760 -1.228 16.714 1.00 62.10 H new ATOM 2540 N PRO B 218 -2.420 -4.327 -12.126 1.00 73.32 N ATOM 2541 CA PRO B 218 -3.287 -4.136 -10.943 1.00 20.22 C ATOM 2542 C PRO B 218 -2.937 -2.814 -10.224 1.00 3.53 C ATOM 2543 O PRO B 218 -1.936 -2.745 -9.506 1.00 62.32 O ATOM 2544 CB PRO B 218 -2.997 -5.389 -10.055 1.00 42.15 C ATOM 2545 CG PRO B 218 -2.307 -6.369 -10.967 1.00 4.25 C ATOM 2546 CD PRO B 218 -1.547 -5.524 -11.969 1.00 44.21 C ATOM 0 HA PRO B 218 -4.345 -4.056 -11.191 1.00 20.22 H new ATOM 0 HB2 PRO B 218 -2.366 -5.131 -9.204 1.00 42.15 H new ATOM 0 HB3 PRO B 218 -3.919 -5.808 -9.652 1.00 42.15 H new ATOM 0 HG2 PRO B 218 -1.632 -7.017 -10.408 1.00 4.25 H new ATOM 0 HG3 PRO B 218 -3.029 -7.016 -11.466 1.00 4.25 H new ATOM 0 HD2 PRO B 218 -0.556 -5.256 -11.602 1.00 44.21 H new ATOM 0 HD3 PRO B 218 -1.406 -6.048 -12.914 1.00 44.21 H new ATOM 2554 N GLY B 219 -3.729 -1.756 -10.486 1.00 22.32 N ATOM 2555 CA GLY B 219 -3.489 -0.446 -9.887 1.00 71.43 C ATOM 2556 C GLY B 219 -4.598 0.569 -10.185 1.00 40.23 C ATOM 2557 O GLY B 219 -5.204 0.517 -11.263 1.00 31.24 O ATOM 0 H GLY B 219 -4.537 -1.791 -11.108 1.00 22.32 H new ATOM 0 HA2 GLY B 219 -3.391 -0.560 -8.807 1.00 71.43 H new ATOM 0 HA3 GLY B 219 -2.540 -0.055 -10.254 1.00 71.43 H new ATOM 2561 N PRO B 220 -4.879 1.524 -9.233 1.00 34.23 N ATOM 2562 CA PRO B 220 -5.900 2.594 -9.416 1.00 53.13 C ATOM 2563 C PRO B 220 -5.504 3.619 -10.506 1.00 4.13 C ATOM 2564 O PRO B 220 -4.316 3.841 -10.753 1.00 24.33 O ATOM 2565 CB PRO B 220 -5.952 3.261 -8.017 1.00 20.14 C ATOM 2566 CG PRO B 220 -4.607 3.001 -7.416 1.00 62.11 C ATOM 2567 CD PRO B 220 -4.226 1.621 -7.895 1.00 54.30 C ATOM 0 HA PRO B 220 -6.858 2.199 -9.754 1.00 53.13 H new ATOM 0 HB2 PRO B 220 -6.149 4.330 -8.096 1.00 20.14 H new ATOM 0 HB3 PRO B 220 -6.747 2.835 -7.405 1.00 20.14 H new ATOM 0 HG2 PRO B 220 -3.880 3.746 -7.739 1.00 62.11 H new ATOM 0 HG3 PRO B 220 -4.646 3.044 -6.328 1.00 62.11 H new ATOM 0 HD2 PRO B 220 -3.145 1.505 -7.967 1.00 54.30 H new ATOM 0 HD3 PRO B 220 -4.585 0.847 -7.216 1.00 54.30 H new ATOM 2575 N TYR B 221 -6.506 4.258 -11.128 1.00 1.33 N ATOM 2576 CA TYR B 221 -6.280 5.239 -12.209 1.00 2.10 C ATOM 2577 C TYR B 221 -5.881 6.604 -11.629 1.00 65.41 C ATOM 2578 O TYR B 221 -6.478 7.081 -10.651 1.00 31.03 O ATOM 2579 CB TYR B 221 -7.530 5.350 -13.107 1.00 64.42 C ATOM 2580 CG TYR B 221 -7.905 4.016 -13.773 1.00 70.11 C ATOM 2581 CD1 TYR B 221 -7.156 3.509 -14.841 1.00 74.30 C ATOM 2582 CD2 TYR B 221 -8.974 3.247 -13.314 1.00 3.24 C ATOM 2583 CE1 TYR B 221 -7.473 2.298 -15.425 1.00 13.44 C ATOM 2584 CE2 TYR B 221 -9.286 2.035 -13.893 1.00 73.23 C ATOM 2585 CZ TYR B 221 -8.536 1.565 -14.944 1.00 21.43 C ATOM 2586 OH TYR B 221 -8.852 0.356 -15.517 1.00 63.20 O ATOM 0 H TYR B 221 -7.490 4.114 -10.901 1.00 1.33 H new ATOM 0 HA TYR B 221 -5.454 4.891 -12.829 1.00 2.10 H new ATOM 0 HB2 TYR B 221 -8.371 5.702 -12.509 1.00 64.42 H new ATOM 0 HB3 TYR B 221 -7.352 6.099 -13.879 1.00 64.42 H new ATOM 0 HD1 TYR B 221 -6.315 4.075 -15.215 1.00 74.30 H new ATOM 0 HD2 TYR B 221 -9.569 3.608 -12.488 1.00 3.24 H new ATOM 0 HE1 TYR B 221 -6.890 1.927 -16.255 1.00 13.44 H new ATOM 0 HE2 TYR B 221 -10.118 1.456 -13.521 1.00 73.23 H new ATOM 0 HH TYR B 221 -9.627 -0.031 -15.058 1.00 63.20 H new