USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1309 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 56 THR OG1 : rot 67:sc= -0.265! USER MOD Set 1.2: A 159 SER OG : rot 25:sc= 1.56 USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -6.06! C(o=-12!,f=-9.3!) USER MOD Set 2.2: A 138 ASN :FLIP amide:sc= -3.25 F(o=-11!,f=-9.3) USER MOD Set 3.1: A 77 ASN : amide:sc= -0.592 K(o=-9.9,f=-11!) USER MOD Set 3.2: A 82 GLN : amide:sc= -6.65! C(o=-9.9!,f=-15!) USER MOD Set 3.3: A 109 ASN : amide:sc= -2.62! C(o=-9.9!,f=-15!) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 14 SER OG : rot -149:sc= 0.779 USER MOD Single : A 11 MET CE :methyl 158:sc= -0.0931 (180deg=-0.594) USER MOD Single : A 25 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-4.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 150:sc= -0.919 USER MOD Single : A 29 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.6!) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 33 HIS : no HE2:sc= -6.26! C(o=-6.3!,f=-11!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 150:sc= 0.436 USER MOD Single : A 41 TYR OH : rot 15:sc= -1.43 USER MOD Single : A 42 ASN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 45 SER OG : rot 27:sc= -0.412 USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.23) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -166:sc= 1.57 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 91:sc= 1.07 USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.392 USER MOD Single : A 59 THR OG1 : rot 89:sc= 1.11 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 1.08 (180deg=1.04) USER MOD Single : A 64 TYR OH : rot -142:sc= 1.09 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0653 F(o=-1.4,f=-0.065) USER MOD Single : A 70 THR OG1 : rot 48:sc= -1.85! USER MOD Single : A 76 SER OG : rot 130:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.052) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 0.909 (180deg=0.163) USER MOD Single : A 95 CYS SG : rot -3:sc= -0.588 USER MOD Single : A 96 THR OG1 : rot 42:sc= 0.0194 USER MOD Single : A 97 LYS NZ :NH3+ -117:sc= 0.33 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 131:sc= -0.0459 (180deg=-0.269) USER MOD Single : A 105 MET CE :methyl -154:sc= -3.36! (180deg=-4.66!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -4.07! C(o=-4.1!,f=-5.6!) USER MOD Single : A 114 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.0029) USER MOD Single : A 116 HIS : no HD1:sc= -6.66! C(o=-6.7!,f=-11!) USER MOD Single : A 119 TYR OH : rot 80:sc= -3.77! USER MOD Single : A 121 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 122 MET CE :methyl -113:sc= -7.51! (180deg=-11.8!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 126 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.14) USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 133 LYS NZ :NH3+ -162:sc= 0.514 (180deg=0.254) USER MOD Single : A 136 LYS NZ :NH3+ -179:sc= 0.907 (180deg=0.811) USER MOD Single : A 140 THR OG1 : rot 69:sc= -0.951 USER MOD Single : A 141 SER OG : rot -88:sc= 2.13 USER MOD Single : A 155 SER OG : rot 92:sc= -1.09 USER MOD Single : A 161 LYS NZ :NH3+ 168:sc=-0.00783 (180deg=-0.0989) USER MOD Single : A 166 LYS NZ :NH3+ -174:sc= -1.13 (180deg=-1.24) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -8.748 19.259 3.560 1.00 5.22 N ATOM 2 CA GLY A 10 -7.992 18.659 2.434 1.00 4.42 C ATOM 3 C GLY A 10 -8.815 18.603 1.166 1.00 3.29 C ATOM 4 O GLY A 10 -9.987 18.234 1.203 1.00 3.60 O ATOM 0 HA2 GLY A 10 -7.088 19.240 2.254 1.00 4.42 H new ATOM 0 HA3 GLY A 10 -7.675 17.652 2.706 1.00 4.42 H new ATOM 10 N MET A 11 -8.206 18.975 0.045 1.00 2.49 N ATOM 11 CA MET A 11 -8.899 18.986 -1.242 1.00 1.84 C ATOM 12 C MET A 11 -9.402 17.592 -1.602 1.00 1.40 C ATOM 13 O MET A 11 -10.549 17.420 -2.011 1.00 2.20 O ATOM 14 CB MET A 11 -7.981 19.507 -2.356 1.00 2.43 C ATOM 15 CG MET A 11 -7.563 20.963 -2.192 1.00 3.11 C ATOM 16 SD MET A 11 -6.401 21.222 -0.833 1.00 4.02 S ATOM 17 CE MET A 11 -4.964 20.349 -1.449 1.00 4.85 C ATOM 0 H MET A 11 -7.232 19.274 -0.000 1.00 2.49 H new ATOM 0 HA MET A 11 -9.754 19.656 -1.148 1.00 1.84 H new ATOM 0 HB2 MET A 11 -7.086 18.886 -2.394 1.00 2.43 H new ATOM 0 HB3 MET A 11 -8.489 19.392 -3.313 1.00 2.43 H new ATOM 0 HG2 MET A 11 -7.110 21.311 -3.120 1.00 3.11 H new ATOM 0 HG3 MET A 11 -8.451 21.572 -2.023 1.00 3.11 H new ATOM 0 HE1 MET A 11 -4.070 20.723 -0.950 1.00 4.85 H new ATOM 0 HE2 MET A 11 -5.073 19.283 -1.249 1.00 4.85 H new ATOM 0 HE3 MET A 11 -4.874 20.509 -2.523 1.00 4.85 H new ATOM 27 N GLY A 12 -8.536 16.603 -1.451 1.00 0.92 N ATOM 28 CA GLY A 12 -8.912 15.238 -1.741 1.00 0.85 C ATOM 29 C GLY A 12 -9.466 14.519 -0.527 1.00 0.79 C ATOM 30 O GLY A 12 -8.769 14.344 0.471 1.00 1.55 O ATOM 0 H GLY A 12 -7.575 16.723 -1.131 1.00 0.92 H new ATOM 0 HA2 GLY A 12 -9.658 15.231 -2.536 1.00 0.85 H new ATOM 0 HA3 GLY A 12 -8.043 14.697 -2.115 1.00 0.85 H new ATOM 34 N SER A 13 -10.724 14.108 -0.606 1.00 0.52 N ATOM 35 CA SER A 13 -11.351 13.341 0.464 1.00 0.53 C ATOM 36 C SER A 13 -11.204 11.848 0.202 1.00 0.41 C ATOM 37 O SER A 13 -11.818 11.023 0.875 1.00 0.53 O ATOM 38 CB SER A 13 -12.831 13.714 0.576 1.00 0.79 C ATOM 39 OG SER A 13 -13.499 13.512 -0.660 1.00 1.58 O ATOM 0 H SER A 13 -11.333 14.293 -1.403 1.00 0.52 H new ATOM 0 HA SER A 13 -10.854 13.579 1.404 1.00 0.53 H new ATOM 0 HB2 SER A 13 -13.304 13.112 1.352 1.00 0.79 H new ATOM 0 HB3 SER A 13 -12.925 14.757 0.879 1.00 0.79 H new ATOM 0 HG SER A 13 -14.444 13.755 -0.565 1.00 1.58 H new ATOM 45 N SER A 14 -10.364 11.515 -0.771 1.00 0.32 N ATOM 46 CA SER A 14 -10.162 10.168 -1.208 1.00 0.22 C ATOM 47 C SER A 14 -8.850 10.167 -1.947 1.00 0.21 C ATOM 48 O SER A 14 -8.436 11.181 -2.515 1.00 0.35 O ATOM 49 CB SER A 14 -11.295 9.698 -2.133 1.00 0.25 C ATOM 50 OG SER A 14 -12.557 10.191 -1.715 1.00 1.17 O ATOM 0 H SER A 14 -9.801 12.198 -1.278 1.00 0.32 H new ATOM 0 HA SER A 14 -10.154 9.484 -0.360 1.00 0.22 H new ATOM 0 HB2 SER A 14 -11.094 10.031 -3.151 1.00 0.25 H new ATOM 0 HB3 SER A 14 -11.319 8.608 -2.153 1.00 0.25 H new ATOM 0 HG SER A 14 -13.256 9.547 -1.955 1.00 1.17 H new ATOM 56 N ILE A 15 -8.208 9.037 -1.922 1.00 0.18 N ATOM 57 CA ILE A 15 -6.873 8.882 -2.435 1.00 0.18 C ATOM 58 C ILE A 15 -6.809 9.112 -3.948 1.00 0.17 C ATOM 59 O ILE A 15 -5.741 9.348 -4.499 1.00 0.19 O ATOM 60 CB ILE A 15 -6.381 7.476 -2.082 1.00 0.17 C ATOM 61 CG1 ILE A 15 -7.372 6.437 -2.615 1.00 0.18 C ATOM 62 CG2 ILE A 15 -6.235 7.349 -0.582 1.00 0.23 C ATOM 63 CD1 ILE A 15 -6.741 5.132 -3.037 1.00 0.38 C ATOM 0 H ILE A 15 -8.602 8.178 -1.538 1.00 0.18 H new ATOM 0 HA ILE A 15 -6.230 9.634 -1.979 1.00 0.18 H new ATOM 0 HB ILE A 15 -5.409 7.302 -2.543 1.00 0.17 H new ATOM 0 HG12 ILE A 15 -8.116 6.234 -1.845 1.00 0.18 H new ATOM 0 HG13 ILE A 15 -7.902 6.862 -3.467 1.00 0.18 H new ATOM 0 HG21 ILE A 15 -5.885 6.347 -0.334 1.00 0.23 H new ATOM 0 HG22 ILE A 15 -5.515 8.084 -0.223 1.00 0.23 H new ATOM 0 HG23 ILE A 15 -7.200 7.524 -0.106 1.00 0.23 H new ATOM 0 HD11 ILE A 15 -7.514 4.455 -3.401 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -6.018 5.318 -3.831 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -6.235 4.680 -2.184 1.00 0.38 H new ATOM 75 N PHE A 16 -7.965 9.085 -4.606 1.00 0.18 N ATOM 76 CA PHE A 16 -8.039 9.257 -6.059 1.00 0.19 C ATOM 77 C PHE A 16 -7.704 10.681 -6.486 1.00 0.21 C ATOM 78 O PHE A 16 -7.679 10.993 -7.674 1.00 0.30 O ATOM 79 CB PHE A 16 -9.419 8.894 -6.558 1.00 0.20 C ATOM 80 CG PHE A 16 -9.803 7.501 -6.205 1.00 0.19 C ATOM 81 CD1 PHE A 16 -9.026 6.445 -6.625 1.00 0.22 C ATOM 82 CD2 PHE A 16 -10.943 7.242 -5.476 1.00 0.18 C ATOM 83 CE1 PHE A 16 -9.380 5.151 -6.335 1.00 0.22 C ATOM 84 CE2 PHE A 16 -11.294 5.947 -5.174 1.00 0.19 C ATOM 85 CZ PHE A 16 -10.513 4.902 -5.612 1.00 0.19 C ATOM 0 H PHE A 16 -8.869 8.945 -4.155 1.00 0.18 H new ATOM 0 HA PHE A 16 -7.297 8.591 -6.499 1.00 0.19 H new ATOM 0 HB2 PHE A 16 -10.148 9.586 -6.137 1.00 0.20 H new ATOM 0 HB3 PHE A 16 -9.454 9.014 -7.641 1.00 0.20 H new ATOM 0 HD1 PHE A 16 -8.126 6.637 -7.190 1.00 0.22 H new ATOM 0 HD2 PHE A 16 -11.564 8.060 -5.140 1.00 0.18 H new ATOM 0 HE1 PHE A 16 -8.765 4.332 -6.677 1.00 0.22 H new ATOM 0 HE2 PHE A 16 -12.183 5.750 -4.593 1.00 0.19 H new ATOM 0 HZ PHE A 16 -10.795 3.885 -5.384 1.00 0.19 H new ATOM 95 N ASP A 17 -7.467 11.545 -5.511 1.00 0.21 N ATOM 96 CA ASP A 17 -7.023 12.904 -5.784 1.00 0.26 C ATOM 97 C ASP A 17 -5.587 12.850 -6.262 1.00 0.25 C ATOM 98 O ASP A 17 -5.107 13.726 -6.986 1.00 0.32 O ATOM 99 CB ASP A 17 -7.115 13.753 -4.515 1.00 0.32 C ATOM 100 CG ASP A 17 -6.804 15.218 -4.752 1.00 1.13 C ATOM 101 OD1 ASP A 17 -7.635 15.913 -5.368 1.00 1.30 O ATOM 102 OD2 ASP A 17 -5.740 15.689 -4.295 1.00 2.11 O ATOM 0 H ASP A 17 -7.575 11.329 -4.520 1.00 0.21 H new ATOM 0 HA ASP A 17 -7.657 13.355 -6.547 1.00 0.26 H new ATOM 0 HB2 ASP A 17 -8.118 13.664 -4.098 1.00 0.32 H new ATOM 0 HB3 ASP A 17 -6.424 13.358 -3.770 1.00 0.32 H new ATOM 107 N PHE A 18 -4.914 11.789 -5.851 1.00 0.22 N ATOM 108 CA PHE A 18 -3.533 11.575 -6.195 1.00 0.23 C ATOM 109 C PHE A 18 -3.388 10.454 -7.185 1.00 0.26 C ATOM 110 O PHE A 18 -3.635 9.287 -6.879 1.00 0.29 O ATOM 111 CB PHE A 18 -2.736 11.289 -4.950 1.00 0.21 C ATOM 112 CG PHE A 18 -2.864 12.402 -3.971 1.00 0.22 C ATOM 113 CD1 PHE A 18 -2.440 13.675 -4.301 1.00 0.27 C ATOM 114 CD2 PHE A 18 -3.441 12.191 -2.739 1.00 0.23 C ATOM 115 CE1 PHE A 18 -2.577 14.716 -3.412 1.00 0.31 C ATOM 116 CE2 PHE A 18 -3.589 13.228 -1.853 1.00 0.29 C ATOM 117 CZ PHE A 18 -3.155 14.494 -2.183 1.00 0.31 C ATOM 0 H PHE A 18 -5.317 11.055 -5.269 1.00 0.22 H new ATOM 0 HA PHE A 18 -3.149 12.481 -6.663 1.00 0.23 H new ATOM 0 HB2 PHE A 18 -3.082 10.360 -4.497 1.00 0.21 H new ATOM 0 HB3 PHE A 18 -1.687 11.146 -5.210 1.00 0.21 H new ATOM 0 HD1 PHE A 18 -1.996 13.855 -5.269 1.00 0.27 H new ATOM 0 HD2 PHE A 18 -3.780 11.202 -2.468 1.00 0.23 H new ATOM 0 HE1 PHE A 18 -2.232 15.704 -3.678 1.00 0.31 H new ATOM 0 HE2 PHE A 18 -4.048 13.051 -0.892 1.00 0.29 H new ATOM 0 HZ PHE A 18 -3.268 15.307 -1.481 1.00 0.31 H new ATOM 127 N GLU A 19 -3.019 10.842 -8.382 1.00 0.35 N ATOM 128 CA GLU A 19 -2.717 9.902 -9.441 1.00 0.43 C ATOM 129 C GLU A 19 -1.671 8.893 -8.969 1.00 0.34 C ATOM 130 O GLU A 19 -0.732 9.237 -8.243 1.00 0.37 O ATOM 131 CB GLU A 19 -2.214 10.644 -10.680 1.00 0.63 C ATOM 132 CG GLU A 19 -2.228 9.798 -11.943 1.00 1.08 C ATOM 133 CD GLU A 19 -3.632 9.412 -12.369 1.00 2.04 C ATOM 134 OE1 GLU A 19 -4.253 8.557 -11.701 1.00 2.86 O ATOM 135 OE2 GLU A 19 -4.121 9.957 -13.382 1.00 2.30 O ATOM 0 H GLU A 19 -2.919 11.820 -8.652 1.00 0.35 H new ATOM 0 HA GLU A 19 -3.629 9.365 -9.702 1.00 0.43 H new ATOM 0 HB2 GLU A 19 -2.830 11.529 -10.839 1.00 0.63 H new ATOM 0 HB3 GLU A 19 -1.197 10.992 -10.497 1.00 0.63 H new ATOM 0 HG2 GLU A 19 -1.745 10.349 -12.750 1.00 1.08 H new ATOM 0 HG3 GLU A 19 -1.641 8.895 -11.778 1.00 1.08 H new ATOM 142 N VAL A 20 -1.835 7.663 -9.405 1.00 0.29 N ATOM 143 CA VAL A 20 -0.932 6.580 -9.053 1.00 0.26 C ATOM 144 C VAL A 20 -0.165 6.191 -10.291 1.00 0.25 C ATOM 145 O VAL A 20 -0.559 6.564 -11.384 1.00 0.28 O ATOM 146 CB VAL A 20 -1.718 5.360 -8.496 1.00 0.31 C ATOM 147 CG1 VAL A 20 -0.859 4.115 -8.360 1.00 0.67 C ATOM 148 CG2 VAL A 20 -2.314 5.717 -7.162 1.00 0.49 C ATOM 0 H VAL A 20 -2.601 7.381 -10.017 1.00 0.29 H new ATOM 0 HA VAL A 20 -0.247 6.910 -8.272 1.00 0.26 H new ATOM 0 HB VAL A 20 -2.503 5.125 -9.215 1.00 0.31 H new ATOM 0 HG11 VAL A 20 -1.463 3.297 -7.967 1.00 0.67 H new ATOM 0 HG12 VAL A 20 -0.464 3.837 -9.337 1.00 0.67 H new ATOM 0 HG13 VAL A 20 -0.032 4.316 -7.678 1.00 0.67 H new ATOM 0 HG21 VAL A 20 -2.866 4.863 -6.770 1.00 0.49 H new ATOM 0 HG22 VAL A 20 -1.518 5.985 -6.468 1.00 0.49 H new ATOM 0 HG23 VAL A 20 -2.991 6.563 -7.281 1.00 0.49 H new ATOM 158 N LEU A 21 0.945 5.497 -10.135 1.00 0.28 N ATOM 159 CA LEU A 21 1.738 5.114 -11.277 1.00 0.35 C ATOM 160 C LEU A 21 2.071 3.638 -11.219 1.00 0.38 C ATOM 161 O LEU A 21 2.114 3.052 -10.149 1.00 0.58 O ATOM 162 CB LEU A 21 3.011 5.952 -11.326 1.00 0.45 C ATOM 163 CG LEU A 21 2.782 7.458 -11.152 1.00 0.46 C ATOM 164 CD1 LEU A 21 4.091 8.202 -11.034 1.00 0.69 C ATOM 165 CD2 LEU A 21 1.966 8.014 -12.302 1.00 0.68 C ATOM 0 H LEU A 21 1.313 5.191 -9.234 1.00 0.28 H new ATOM 0 HA LEU A 21 1.163 5.296 -12.185 1.00 0.35 H new ATOM 0 HB2 LEU A 21 3.689 5.607 -10.546 1.00 0.45 H new ATOM 0 HB3 LEU A 21 3.509 5.780 -12.280 1.00 0.45 H new ATOM 0 HG LEU A 21 2.225 7.601 -10.226 1.00 0.46 H new ATOM 0 HD11 LEU A 21 3.894 9.267 -10.912 1.00 0.69 H new ATOM 0 HD12 LEU A 21 4.642 7.833 -10.169 1.00 0.69 H new ATOM 0 HD13 LEU A 21 4.682 8.043 -11.936 1.00 0.69 H new ATOM 0 HD21 LEU A 21 1.816 9.084 -12.158 1.00 0.68 H new ATOM 0 HD22 LEU A 21 2.496 7.845 -13.239 1.00 0.68 H new ATOM 0 HD23 LEU A 21 0.998 7.513 -12.337 1.00 0.68 H new ATOM 177 N ASP A 22 2.271 3.044 -12.380 1.00 0.33 N ATOM 178 CA ASP A 22 2.675 1.648 -12.488 1.00 0.37 C ATOM 179 C ASP A 22 4.145 1.515 -12.094 1.00 0.35 C ATOM 180 O ASP A 22 4.781 2.516 -11.761 1.00 0.40 O ATOM 181 CB ASP A 22 2.449 1.176 -13.931 1.00 0.50 C ATOM 182 CG ASP A 22 2.554 -0.327 -14.111 1.00 1.16 C ATOM 183 OD1 ASP A 22 3.681 -0.835 -14.283 1.00 1.87 O ATOM 184 OD2 ASP A 22 1.514 -1.010 -14.039 1.00 1.48 O ATOM 0 H ASP A 22 2.159 3.513 -13.279 1.00 0.33 H new ATOM 0 HA ASP A 22 2.082 1.027 -11.817 1.00 0.37 H new ATOM 0 HB2 ASP A 22 1.462 1.503 -14.259 1.00 0.50 H new ATOM 0 HB3 ASP A 22 3.178 1.661 -14.580 1.00 0.50 H new ATOM 189 N ALA A 23 4.693 0.305 -12.165 1.00 0.39 N ATOM 190 CA ALA A 23 6.086 0.047 -11.787 1.00 0.42 C ATOM 191 C ALA A 23 7.062 0.779 -12.702 1.00 0.47 C ATOM 192 O ALA A 23 8.272 0.746 -12.487 1.00 0.59 O ATOM 193 CB ALA A 23 6.370 -1.449 -11.794 1.00 0.52 C ATOM 0 H ALA A 23 4.190 -0.523 -12.484 1.00 0.39 H new ATOM 0 HA ALA A 23 6.231 0.430 -10.777 1.00 0.42 H new ATOM 0 HB1 ALA A 23 7.408 -1.624 -11.511 1.00 0.52 H new ATOM 0 HB2 ALA A 23 5.711 -1.948 -11.083 1.00 0.52 H new ATOM 0 HB3 ALA A 23 6.194 -1.848 -12.793 1.00 0.52 H new ATOM 199 N ASP A 24 6.540 1.439 -13.720 1.00 0.46 N ATOM 200 CA ASP A 24 7.368 2.252 -14.591 1.00 0.54 C ATOM 201 C ASP A 24 6.973 3.721 -14.523 1.00 0.51 C ATOM 202 O ASP A 24 7.434 4.521 -15.336 1.00 0.62 O ATOM 203 CB ASP A 24 7.295 1.749 -16.035 1.00 0.69 C ATOM 204 CG ASP A 24 7.992 0.417 -16.224 1.00 1.43 C ATOM 205 OD1 ASP A 24 9.215 0.415 -16.475 1.00 1.51 O ATOM 206 OD2 ASP A 24 7.323 -0.635 -16.126 1.00 2.34 O ATOM 0 H ASP A 24 5.549 1.428 -13.963 1.00 0.46 H new ATOM 0 HA ASP A 24 8.397 2.163 -14.241 1.00 0.54 H new ATOM 0 HB2 ASP A 24 6.250 1.653 -16.330 1.00 0.69 H new ATOM 0 HB3 ASP A 24 7.747 2.488 -16.697 1.00 0.69 H new ATOM 211 N HIS A 25 6.094 4.070 -13.573 1.00 0.43 N ATOM 212 CA HIS A 25 5.722 5.460 -13.336 1.00 0.44 C ATOM 213 C HIS A 25 4.824 5.963 -14.456 1.00 0.47 C ATOM 214 O HIS A 25 4.569 7.159 -14.585 1.00 0.54 O ATOM 215 CB HIS A 25 6.957 6.360 -13.130 1.00 0.54 C ATOM 216 CG HIS A 25 7.443 6.379 -11.707 1.00 0.64 C ATOM 217 ND1 HIS A 25 8.771 6.499 -11.339 1.00 0.73 N ATOM 218 CD2 HIS A 25 6.749 6.300 -10.549 1.00 1.47 C ATOM 219 CE1 HIS A 25 8.863 6.491 -10.016 1.00 0.59 C ATOM 220 NE2 HIS A 25 7.651 6.373 -9.517 1.00 1.26 N ATOM 0 H HIS A 25 5.630 3.402 -12.958 1.00 0.43 H new ATOM 0 HA HIS A 25 5.156 5.507 -12.406 1.00 0.44 H new ATOM 0 HB2 HIS A 25 7.763 6.015 -13.778 1.00 0.54 H new ATOM 0 HB3 HIS A 25 6.713 7.377 -13.438 1.00 0.54 H new ATOM 0 HD2 HIS A 25 5.678 6.198 -10.453 1.00 1.47 H new ATOM 0 HE1 HIS A 25 9.777 6.568 -9.445 1.00 0.59 H new ATOM 0 HE2 HIS A 25 7.419 6.341 -8.524 1.00 1.26 H new ATOM 229 N LYS A 26 4.356 5.017 -15.267 1.00 0.48 N ATOM 230 CA LYS A 26 3.252 5.253 -16.181 1.00 0.53 C ATOM 231 C LYS A 26 2.000 5.416 -15.340 1.00 0.41 C ATOM 232 O LYS A 26 1.762 4.599 -14.452 1.00 0.38 O ATOM 233 CB LYS A 26 3.065 4.052 -17.109 1.00 0.67 C ATOM 234 CG LYS A 26 4.348 3.520 -17.723 1.00 1.00 C ATOM 235 CD LYS A 26 4.132 2.129 -18.304 1.00 2.12 C ATOM 236 CE LYS A 26 3.750 1.133 -17.215 1.00 3.15 C ATOM 237 NZ LYS A 26 3.333 -0.187 -17.768 1.00 4.25 N ATOM 0 H LYS A 26 4.733 4.070 -15.306 1.00 0.48 H new ATOM 0 HA LYS A 26 3.449 6.137 -16.788 1.00 0.53 H new ATOM 0 HB2 LYS A 26 2.585 3.249 -16.550 1.00 0.67 H new ATOM 0 HB3 LYS A 26 2.383 4.333 -17.912 1.00 0.67 H new ATOM 0 HG2 LYS A 26 4.690 4.197 -18.506 1.00 1.00 H new ATOM 0 HG3 LYS A 26 5.132 3.486 -16.966 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.347 2.165 -19.060 1.00 2.12 H new ATOM 0 HD3 LYS A 26 5.041 1.795 -18.804 1.00 2.12 H new ATOM 0 HE2 LYS A 26 4.597 0.991 -16.544 1.00 3.15 H new ATOM 0 HE3 LYS A 26 2.937 1.546 -16.618 1.00 3.15 H new ATOM 0 HZ1 LYS A 26 3.084 -0.827 -16.987 1.00 4.25 H new ATOM 0 HZ2 LYS A 26 2.508 -0.059 -18.388 1.00 4.25 H new ATOM 0 HZ3 LYS A 26 4.116 -0.597 -18.316 1.00 4.25 H new ATOM 251 N PRO A 27 1.200 6.463 -15.565 1.00 0.41 N ATOM 252 CA PRO A 27 0.016 6.725 -14.740 1.00 0.37 C ATOM 253 C PRO A 27 -0.898 5.507 -14.596 1.00 0.32 C ATOM 254 O PRO A 27 -1.504 5.032 -15.558 1.00 0.36 O ATOM 255 CB PRO A 27 -0.682 7.850 -15.501 1.00 0.46 C ATOM 256 CG PRO A 27 0.436 8.569 -16.169 1.00 0.54 C ATOM 257 CD PRO A 27 1.388 7.492 -16.602 1.00 0.50 C ATOM 0 HA PRO A 27 0.279 6.978 -13.713 1.00 0.37 H new ATOM 0 HB2 PRO A 27 -1.397 7.460 -16.225 1.00 0.46 H new ATOM 0 HB3 PRO A 27 -1.235 8.506 -14.828 1.00 0.46 H new ATOM 0 HG2 PRO A 27 0.080 9.147 -17.022 1.00 0.54 H new ATOM 0 HG3 PRO A 27 0.917 9.270 -15.487 1.00 0.54 H new ATOM 0 HD2 PRO A 27 1.148 7.115 -17.596 1.00 0.50 H new ATOM 0 HD3 PRO A 27 2.417 7.850 -16.636 1.00 0.50 H new ATOM 265 N TYR A 28 -0.983 5.036 -13.362 1.00 0.28 N ATOM 266 CA TYR A 28 -1.901 3.976 -12.961 1.00 0.26 C ATOM 267 C TYR A 28 -3.316 4.518 -12.820 1.00 0.25 C ATOM 268 O TYR A 28 -3.516 5.682 -12.477 1.00 0.37 O ATOM 269 CB TYR A 28 -1.462 3.412 -11.606 1.00 0.30 C ATOM 270 CG TYR A 28 -1.473 1.907 -11.510 1.00 0.37 C ATOM 271 CD1 TYR A 28 -2.602 1.190 -11.876 1.00 0.50 C ATOM 272 CD2 TYR A 28 -0.370 1.210 -11.051 1.00 0.82 C ATOM 273 CE1 TYR A 28 -2.638 -0.183 -11.778 1.00 0.64 C ATOM 274 CE2 TYR A 28 -0.392 -0.168 -10.953 1.00 1.10 C ATOM 275 CZ TYR A 28 -1.454 -0.863 -11.356 1.00 0.92 C ATOM 276 OH TYR A 28 -1.563 -2.232 -11.197 1.00 1.20 O ATOM 0 H TYR A 28 -0.407 5.384 -12.596 1.00 0.28 H new ATOM 0 HA TYR A 28 -1.886 3.199 -13.725 1.00 0.26 H new ATOM 0 HB2 TYR A 28 -0.455 3.768 -11.390 1.00 0.30 H new ATOM 0 HB3 TYR A 28 -2.115 3.816 -10.832 1.00 0.30 H new ATOM 0 HD1 TYR A 28 -3.469 1.718 -12.245 1.00 0.50 H new ATOM 0 HD2 TYR A 28 0.520 1.750 -10.765 1.00 0.82 H new ATOM 0 HE1 TYR A 28 -3.538 -0.732 -12.014 1.00 0.64 H new ATOM 0 HE2 TYR A 28 0.462 -0.688 -10.545 1.00 1.10 H new ATOM 0 HH TYR A 28 -0.698 -2.653 -11.383 1.00 1.20 H new ATOM 286 N ASN A 29 -4.295 3.667 -13.072 1.00 0.34 N ATOM 287 CA ASN A 29 -5.684 4.040 -12.912 1.00 0.42 C ATOM 288 C ASN A 29 -6.143 3.644 -11.524 1.00 0.34 C ATOM 289 O ASN A 29 -6.755 2.601 -11.327 1.00 0.44 O ATOM 290 CB ASN A 29 -6.562 3.389 -13.982 1.00 0.67 C ATOM 291 CG ASN A 29 -8.000 3.866 -13.926 1.00 0.73 C ATOM 292 OD1 ASN A 29 -8.920 3.144 -14.306 1.00 1.18 O ATOM 293 ND2 ASN A 29 -8.208 5.082 -13.444 1.00 1.51 N ATOM 0 H ASN A 29 -4.149 2.709 -13.390 1.00 0.34 H new ATOM 0 HA ASN A 29 -5.779 5.119 -13.033 1.00 0.42 H new ATOM 0 HB2 ASN A 29 -6.149 3.606 -14.967 1.00 0.67 H new ATOM 0 HB3 ASN A 29 -6.537 2.306 -13.858 1.00 0.67 H new ATOM 0 HD21 ASN A 29 -9.157 5.449 -13.378 1.00 1.51 H new ATOM 0 HD22 ASN A 29 -7.419 5.651 -13.139 1.00 1.51 H new ATOM 300 N LEU A 30 -5.826 4.486 -10.559 1.00 0.25 N ATOM 301 CA LEU A 30 -6.176 4.225 -9.173 1.00 0.20 C ATOM 302 C LEU A 30 -7.686 4.154 -9.015 1.00 0.19 C ATOM 303 O LEU A 30 -8.216 3.266 -8.343 1.00 0.19 O ATOM 304 CB LEU A 30 -5.627 5.337 -8.283 1.00 0.22 C ATOM 305 CG LEU A 30 -5.944 5.218 -6.814 1.00 0.22 C ATOM 306 CD1 LEU A 30 -5.273 3.989 -6.218 1.00 0.23 C ATOM 307 CD2 LEU A 30 -5.527 6.479 -6.078 1.00 0.28 C ATOM 0 H LEU A 30 -5.324 5.361 -10.709 1.00 0.25 H new ATOM 0 HA LEU A 30 -5.741 3.270 -8.877 1.00 0.20 H new ATOM 0 HB2 LEU A 30 -4.544 5.369 -8.400 1.00 0.22 H new ATOM 0 HB3 LEU A 30 -6.015 6.290 -8.643 1.00 0.22 H new ATOM 0 HG LEU A 30 -7.022 5.100 -6.700 1.00 0.22 H new ATOM 0 HD11 LEU A 30 -5.514 3.921 -5.157 1.00 0.23 H new ATOM 0 HD12 LEU A 30 -5.631 3.095 -6.729 1.00 0.23 H new ATOM 0 HD13 LEU A 30 -4.193 4.069 -6.340 1.00 0.23 H new ATOM 0 HD21 LEU A 30 -5.763 6.377 -5.019 1.00 0.28 H new ATOM 0 HD22 LEU A 30 -4.455 6.632 -6.198 1.00 0.28 H new ATOM 0 HD23 LEU A 30 -6.064 7.334 -6.488 1.00 0.28 H new ATOM 319 N VAL A 31 -8.366 5.071 -9.690 1.00 0.20 N ATOM 320 CA VAL A 31 -9.798 5.287 -9.510 1.00 0.19 C ATOM 321 C VAL A 31 -10.622 4.131 -10.064 1.00 0.20 C ATOM 322 O VAL A 31 -11.848 4.129 -9.979 1.00 0.23 O ATOM 323 CB VAL A 31 -10.239 6.584 -10.197 1.00 0.22 C ATOM 324 CG1 VAL A 31 -11.460 7.190 -9.538 1.00 1.02 C ATOM 325 CG2 VAL A 31 -9.107 7.585 -10.240 1.00 0.87 C ATOM 0 H VAL A 31 -7.940 5.689 -10.381 1.00 0.20 H new ATOM 0 HA VAL A 31 -9.973 5.356 -8.436 1.00 0.19 H new ATOM 0 HB VAL A 31 -10.514 6.326 -11.220 1.00 0.22 H new ATOM 0 HG11 VAL A 31 -11.737 8.107 -10.058 1.00 1.02 H new ATOM 0 HG12 VAL A 31 -12.288 6.482 -9.585 1.00 1.02 H new ATOM 0 HG13 VAL A 31 -11.236 7.417 -8.496 1.00 1.02 H new ATOM 0 HG21 VAL A 31 -9.446 8.496 -10.732 1.00 0.87 H new ATOM 0 HG22 VAL A 31 -8.789 7.818 -9.224 1.00 0.87 H new ATOM 0 HG23 VAL A 31 -8.269 7.163 -10.795 1.00 0.87 H new ATOM 335 N GLN A 32 -9.952 3.142 -10.635 1.00 0.21 N ATOM 336 CA GLN A 32 -10.640 1.946 -11.083 1.00 0.23 C ATOM 337 C GLN A 32 -11.004 1.098 -9.871 1.00 0.22 C ATOM 338 O GLN A 32 -11.751 0.129 -9.971 1.00 0.28 O ATOM 339 CB GLN A 32 -9.773 1.144 -12.057 1.00 0.26 C ATOM 340 CG GLN A 32 -8.673 0.334 -11.385 1.00 0.29 C ATOM 341 CD GLN A 32 -7.630 -0.176 -12.365 1.00 0.35 C ATOM 342 OE1 GLN A 32 -8.013 -0.314 -13.620 1.00 1.02 O flip ATOM 343 NE2 GLN A 32 -6.475 -0.400 -12.001 1.00 0.75 N flip ATOM 0 H GLN A 32 -8.945 3.144 -10.797 1.00 0.21 H new ATOM 0 HA GLN A 32 -11.547 2.236 -11.613 1.00 0.23 H new ATOM 0 HB2 GLN A 32 -10.413 0.468 -12.625 1.00 0.26 H new ATOM 0 HB3 GLN A 32 -9.319 1.830 -12.773 1.00 0.26 H new ATOM 0 HG2 GLN A 32 -8.184 0.951 -10.631 1.00 0.29 H new ATOM 0 HG3 GLN A 32 -9.119 -0.513 -10.864 1.00 0.29 H new ATOM 0 HE21 GLN A 32 -6.217 -0.282 -11.021 1.00 0.75 H new ATOM 0 HE22 GLN A 32 -5.776 -0.704 -12.679 1.00 0.75 H new ATOM 352 N HIS A 33 -10.456 1.481 -8.723 1.00 0.17 N ATOM 353 CA HIS A 33 -10.769 0.827 -7.461 1.00 0.16 C ATOM 354 C HIS A 33 -11.790 1.643 -6.706 1.00 0.16 C ATOM 355 O HIS A 33 -11.875 1.605 -5.486 1.00 0.17 O ATOM 356 CB HIS A 33 -9.494 0.597 -6.646 1.00 0.16 C ATOM 357 CG HIS A 33 -8.560 -0.307 -7.379 1.00 0.16 C ATOM 358 ND1 HIS A 33 -8.911 -1.593 -7.696 1.00 0.21 N ATOM 359 CD2 HIS A 33 -7.337 -0.094 -7.954 1.00 0.22 C ATOM 360 CE1 HIS A 33 -7.975 -2.142 -8.428 1.00 0.27 C ATOM 361 NE2 HIS A 33 -7.005 -1.257 -8.615 1.00 0.28 N ATOM 0 H HIS A 33 -9.788 2.247 -8.642 1.00 0.17 H new ATOM 0 HA HIS A 33 -11.203 -0.154 -7.654 1.00 0.16 H new ATOM 0 HB2 HIS A 33 -9.005 1.551 -6.448 1.00 0.16 H new ATOM 0 HB3 HIS A 33 -9.747 0.162 -5.679 1.00 0.16 H new ATOM 0 HD1 HIS A 33 -9.773 -2.054 -7.405 1.00 0.21 H new ATOM 0 HD2 HIS A 33 -6.747 0.809 -7.900 1.00 0.22 H new ATOM 0 HE1 HIS A 33 -7.990 -3.150 -8.816 1.00 0.27 H new ATOM 370 N LYS A 34 -12.553 2.398 -7.470 1.00 0.19 N ATOM 371 CA LYS A 34 -13.714 3.071 -6.954 1.00 0.19 C ATOM 372 C LYS A 34 -14.888 2.110 -6.955 1.00 0.21 C ATOM 373 O LYS A 34 -15.132 1.415 -7.944 1.00 0.33 O ATOM 374 CB LYS A 34 -14.050 4.290 -7.801 1.00 0.22 C ATOM 375 CG LYS A 34 -13.285 5.526 -7.419 1.00 0.28 C ATOM 376 CD LYS A 34 -14.174 6.756 -7.484 1.00 0.69 C ATOM 377 CE LYS A 34 -14.909 6.810 -8.805 1.00 1.01 C ATOM 378 NZ LYS A 34 -15.782 8.005 -8.920 1.00 1.56 N ATOM 0 H LYS A 34 -12.381 2.558 -8.463 1.00 0.19 H new ATOM 0 HA LYS A 34 -13.506 3.405 -5.937 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -13.850 4.060 -8.847 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.117 4.495 -7.718 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -12.885 5.414 -6.411 1.00 0.28 H new ATOM 0 HG3 LYS A 34 -12.433 5.652 -8.087 1.00 0.28 H new ATOM 0 HD2 LYS A 34 -14.891 6.738 -6.663 1.00 0.69 H new ATOM 0 HD3 LYS A 34 -13.570 7.655 -7.360 1.00 0.69 H new ATOM 0 HE2 LYS A 34 -14.185 6.813 -9.620 1.00 1.01 H new ATOM 0 HE3 LYS A 34 -15.513 5.910 -8.918 1.00 1.01 H new ATOM 0 HZ1 LYS A 34 -16.263 7.996 -9.842 1.00 1.56 H new ATOM 0 HZ2 LYS A 34 -16.491 7.991 -8.159 1.00 1.56 H new ATOM 0 HZ3 LYS A 34 -15.204 8.866 -8.840 1.00 1.56 H new ATOM 392 N GLY A 35 -15.592 2.055 -5.850 1.00 0.18 N ATOM 393 CA GLY A 35 -16.711 1.160 -5.735 1.00 0.20 C ATOM 394 C GLY A 35 -16.398 -0.016 -4.840 1.00 0.17 C ATOM 395 O GLY A 35 -17.225 -0.407 -4.018 1.00 0.20 O ATOM 0 H GLY A 35 -15.408 2.620 -5.021 1.00 0.18 H new ATOM 0 HA2 GLY A 35 -17.570 1.701 -5.338 1.00 0.20 H new ATOM 0 HA3 GLY A 35 -16.991 0.799 -6.725 1.00 0.20 H new ATOM 399 N SER A 36 -15.203 -0.580 -4.974 1.00 0.16 N ATOM 400 CA SER A 36 -14.770 -1.611 -4.075 1.00 0.16 C ATOM 401 C SER A 36 -13.448 -1.191 -3.483 1.00 0.14 C ATOM 402 O SER A 36 -12.524 -0.847 -4.218 1.00 0.16 O ATOM 403 CB SER A 36 -14.620 -2.934 -4.815 1.00 0.20 C ATOM 404 OG SER A 36 -15.797 -3.242 -5.544 1.00 0.29 O ATOM 0 H SER A 36 -14.528 -0.333 -5.698 1.00 0.16 H new ATOM 0 HA SER A 36 -15.508 -1.752 -3.286 1.00 0.16 H new ATOM 0 HB2 SER A 36 -13.770 -2.881 -5.495 1.00 0.20 H new ATOM 0 HB3 SER A 36 -14.409 -3.732 -4.103 1.00 0.20 H new ATOM 0 HG SER A 36 -15.562 -3.762 -6.341 1.00 0.29 H new ATOM 410 N PRO A 37 -13.372 -1.160 -2.148 1.00 0.12 N ATOM 411 CA PRO A 37 -12.164 -0.842 -1.404 1.00 0.12 C ATOM 412 C PRO A 37 -10.912 -1.440 -2.009 1.00 0.12 C ATOM 413 O PRO A 37 -10.951 -2.460 -2.689 1.00 0.15 O ATOM 414 CB PRO A 37 -12.425 -1.453 -0.017 1.00 0.15 C ATOM 415 CG PRO A 37 -13.766 -2.094 -0.110 1.00 0.18 C ATOM 416 CD PRO A 37 -14.472 -1.408 -1.233 1.00 0.15 C ATOM 0 HA PRO A 37 -11.980 0.232 -1.394 1.00 0.12 H new ATOM 0 HB2 PRO A 37 -11.658 -2.183 0.241 1.00 0.15 H new ATOM 0 HB3 PRO A 37 -12.409 -0.687 0.758 1.00 0.15 H new ATOM 0 HG2 PRO A 37 -13.675 -3.163 -0.301 1.00 0.18 H new ATOM 0 HG3 PRO A 37 -14.317 -1.983 0.824 1.00 0.18 H new ATOM 0 HD2 PRO A 37 -15.244 -2.036 -1.678 1.00 0.15 H new ATOM 0 HD3 PRO A 37 -14.956 -0.486 -0.912 1.00 0.15 H new ATOM 424 N LEU A 38 -9.814 -0.784 -1.734 1.00 0.14 N ATOM 425 CA LEU A 38 -8.510 -1.166 -2.220 1.00 0.13 C ATOM 426 C LEU A 38 -7.523 -0.966 -1.081 1.00 0.13 C ATOM 427 O LEU A 38 -7.684 -0.069 -0.279 1.00 0.20 O ATOM 428 CB LEU A 38 -8.105 -0.326 -3.440 1.00 0.16 C ATOM 429 CG LEU A 38 -8.170 1.197 -3.295 1.00 0.20 C ATOM 430 CD1 LEU A 38 -7.508 1.861 -4.479 1.00 0.31 C ATOM 431 CD2 LEU A 38 -9.604 1.699 -3.191 1.00 0.26 C ATOM 0 H LEU A 38 -9.800 0.053 -1.151 1.00 0.14 H new ATOM 0 HA LEU A 38 -8.520 -2.207 -2.542 1.00 0.13 H new ATOM 0 HB2 LEU A 38 -7.085 -0.596 -3.712 1.00 0.16 H new ATOM 0 HB3 LEU A 38 -8.744 -0.613 -4.275 1.00 0.16 H new ATOM 0 HG LEU A 38 -7.646 1.453 -2.374 1.00 0.20 H new ATOM 0 HD11 LEU A 38 -7.560 2.944 -4.365 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -6.464 1.552 -4.533 1.00 0.31 H new ATOM 0 HD13 LEU A 38 -8.021 1.567 -5.395 1.00 0.31 H new ATOM 0 HD21 LEU A 38 -9.603 2.784 -3.090 1.00 0.26 H new ATOM 0 HD22 LEU A 38 -10.154 1.419 -4.090 1.00 0.26 H new ATOM 0 HD23 LEU A 38 -10.083 1.253 -2.319 1.00 0.26 H new ATOM 443 N LEU A 39 -6.553 -1.821 -0.963 1.00 0.18 N ATOM 444 CA LEU A 39 -5.534 -1.673 0.046 1.00 0.19 C ATOM 445 C LEU A 39 -4.254 -1.258 -0.621 1.00 0.18 C ATOM 446 O LEU A 39 -3.764 -1.939 -1.520 1.00 0.21 O ATOM 447 CB LEU A 39 -5.290 -2.980 0.787 1.00 0.23 C ATOM 448 CG LEU A 39 -6.055 -3.211 2.101 1.00 0.35 C ATOM 449 CD1 LEU A 39 -5.353 -2.551 3.269 1.00 1.10 C ATOM 450 CD2 LEU A 39 -7.481 -2.714 2.008 1.00 1.19 C ATOM 0 H LEU A 39 -6.440 -2.641 -1.559 1.00 0.18 H new ATOM 0 HA LEU A 39 -5.868 -0.924 0.764 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -5.532 -3.799 0.110 1.00 0.23 H new ATOM 0 HB3 LEU A 39 -4.224 -3.049 1.003 1.00 0.23 H new ATOM 0 HG LEU A 39 -6.077 -4.287 2.271 1.00 0.35 H new ATOM 0 HD11 LEU A 39 -5.918 -2.732 4.183 1.00 1.10 H new ATOM 0 HD12 LEU A 39 -4.351 -2.967 3.374 1.00 1.10 H new ATOM 0 HD13 LEU A 39 -5.284 -1.478 3.092 1.00 1.10 H new ATOM 0 HD21 LEU A 39 -7.991 -2.894 2.954 1.00 1.19 H new ATOM 0 HD22 LEU A 39 -7.481 -1.645 1.793 1.00 1.19 H new ATOM 0 HD23 LEU A 39 -8.000 -3.245 1.210 1.00 1.19 H new ATOM 462 N ILE A 40 -3.729 -0.138 -0.223 1.00 0.19 N ATOM 463 CA ILE A 40 -2.471 0.303 -0.766 1.00 0.20 C ATOM 464 C ILE A 40 -1.376 0.104 0.264 1.00 0.18 C ATOM 465 O ILE A 40 -1.494 0.556 1.403 1.00 0.20 O ATOM 466 CB ILE A 40 -2.547 1.765 -1.200 1.00 0.23 C ATOM 467 CG1 ILE A 40 -3.958 2.091 -1.672 1.00 0.30 C ATOM 468 CG2 ILE A 40 -1.550 2.042 -2.314 1.00 0.37 C ATOM 469 CD1 ILE A 40 -4.031 3.440 -2.319 1.00 0.35 C ATOM 0 H ILE A 40 -4.145 0.485 0.469 1.00 0.19 H new ATOM 0 HA ILE A 40 -2.240 -0.292 -1.650 1.00 0.20 H new ATOM 0 HB ILE A 40 -2.299 2.396 -0.347 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -4.289 1.330 -2.379 1.00 0.30 H new ATOM 0 HG13 ILE A 40 -4.642 2.057 -0.824 1.00 0.30 H new ATOM 0 HG21 ILE A 40 -1.618 3.089 -2.611 1.00 0.37 H new ATOM 0 HG22 ILE A 40 -0.541 1.830 -1.960 1.00 0.37 H new ATOM 0 HG23 ILE A 40 -1.775 1.406 -3.170 1.00 0.37 H new ATOM 0 HD11 ILE A 40 -5.054 3.634 -2.641 1.00 0.35 H new ATOM 0 HD12 ILE A 40 -3.725 4.204 -1.604 1.00 0.35 H new ATOM 0 HD13 ILE A 40 -3.367 3.465 -3.183 1.00 0.35 H new ATOM 481 N TYR A 41 -0.329 -0.603 -0.129 1.00 0.18 N ATOM 482 CA TYR A 41 0.725 -0.964 0.794 1.00 0.19 C ATOM 483 C TYR A 41 1.986 -0.181 0.474 1.00 0.20 C ATOM 484 O TYR A 41 2.489 -0.240 -0.641 1.00 0.27 O ATOM 485 CB TYR A 41 1.043 -2.478 0.721 1.00 0.20 C ATOM 486 CG TYR A 41 -0.098 -3.423 1.052 1.00 0.20 C ATOM 487 CD1 TYR A 41 -1.403 -3.137 0.706 1.00 0.27 C ATOM 488 CD2 TYR A 41 0.154 -4.633 1.684 1.00 0.29 C ATOM 489 CE1 TYR A 41 -2.420 -4.022 0.979 1.00 0.32 C ATOM 490 CE2 TYR A 41 -0.863 -5.522 1.967 1.00 0.35 C ATOM 491 CZ TYR A 41 -2.149 -5.208 1.608 1.00 0.33 C ATOM 492 OH TYR A 41 -3.167 -6.091 1.859 1.00 0.42 O ATOM 0 H TYR A 41 -0.190 -0.937 -1.083 1.00 0.18 H new ATOM 0 HA TYR A 41 0.380 -0.726 1.800 1.00 0.19 H new ATOM 0 HB2 TYR A 41 1.394 -2.705 -0.286 1.00 0.20 H new ATOM 0 HB3 TYR A 41 1.868 -2.687 1.401 1.00 0.20 H new ATOM 0 HD1 TYR A 41 -1.629 -2.203 0.213 1.00 0.27 H new ATOM 0 HD2 TYR A 41 1.167 -4.884 1.960 1.00 0.29 H new ATOM 0 HE1 TYR A 41 -3.434 -3.781 0.697 1.00 0.32 H new ATOM 0 HE2 TYR A 41 -0.648 -6.455 2.466 1.00 0.35 H new ATOM 0 HH TYR A 41 -3.953 -5.843 1.329 1.00 0.42 H new ATOM 502 N ASN A 42 2.492 0.545 1.446 1.00 0.28 N ATOM 503 CA ASN A 42 3.786 1.183 1.309 1.00 0.34 C ATOM 504 C ASN A 42 4.857 0.145 1.584 1.00 0.37 C ATOM 505 O ASN A 42 5.280 -0.077 2.714 1.00 0.54 O ATOM 506 CB ASN A 42 3.902 2.374 2.260 1.00 0.46 C ATOM 507 CG ASN A 42 3.516 2.057 3.686 1.00 1.50 C ATOM 508 OD1 ASN A 42 2.347 2.145 4.051 1.00 2.27 O ATOM 509 ND2 ASN A 42 4.495 1.719 4.506 1.00 2.35 N ATOM 0 H ASN A 42 2.029 0.709 2.340 1.00 0.28 H new ATOM 0 HA ASN A 42 3.911 1.572 0.298 1.00 0.34 H new ATOM 0 HB2 ASN A 42 4.928 2.741 2.244 1.00 0.46 H new ATOM 0 HB3 ASN A 42 3.269 3.182 1.894 1.00 0.46 H new ATOM 0 HD21 ASN A 42 4.294 1.519 5.486 1.00 2.35 H new ATOM 0 HD22 ASN A 42 5.452 1.658 4.159 1.00 2.35 H new ATOM 516 N VAL A 43 5.318 -0.476 0.532 1.00 0.36 N ATOM 517 CA VAL A 43 6.080 -1.687 0.670 1.00 0.38 C ATOM 518 C VAL A 43 7.547 -1.445 0.417 1.00 0.42 C ATOM 519 O VAL A 43 7.934 -0.909 -0.611 1.00 0.50 O ATOM 520 CB VAL A 43 5.562 -2.770 -0.300 1.00 0.39 C ATOM 521 CG1 VAL A 43 5.591 -2.287 -1.735 1.00 1.03 C ATOM 522 CG2 VAL A 43 6.373 -4.034 -0.178 1.00 0.98 C ATOM 0 H VAL A 43 5.179 -0.164 -0.429 1.00 0.36 H new ATOM 0 HA VAL A 43 5.957 -2.033 1.696 1.00 0.38 H new ATOM 0 HB VAL A 43 4.529 -2.980 -0.024 1.00 0.39 H new ATOM 0 HG11 VAL A 43 5.220 -3.074 -2.391 1.00 1.03 H new ATOM 0 HG12 VAL A 43 4.960 -1.404 -1.834 1.00 1.03 H new ATOM 0 HG13 VAL A 43 6.614 -2.035 -2.013 1.00 1.03 H new ATOM 0 HG21 VAL A 43 5.988 -4.782 -0.872 1.00 0.98 H new ATOM 0 HG22 VAL A 43 7.416 -3.822 -0.415 1.00 0.98 H new ATOM 0 HG23 VAL A 43 6.303 -4.414 0.841 1.00 0.98 H new ATOM 532 N ALA A 44 8.376 -1.820 1.356 1.00 0.50 N ATOM 533 CA ALA A 44 9.783 -1.830 1.079 1.00 0.59 C ATOM 534 C ALA A 44 10.147 -3.151 0.422 1.00 0.58 C ATOM 535 O ALA A 44 10.251 -4.177 1.087 1.00 0.88 O ATOM 536 CB ALA A 44 10.587 -1.596 2.339 1.00 0.83 C ATOM 0 H ALA A 44 8.109 -2.115 2.295 1.00 0.50 H new ATOM 0 HA ALA A 44 10.025 -1.016 0.396 1.00 0.59 H new ATOM 0 HB1 ALA A 44 11.650 -1.609 2.100 1.00 0.83 H new ATOM 0 HB2 ALA A 44 10.322 -0.628 2.765 1.00 0.83 H new ATOM 0 HB3 ALA A 44 10.368 -2.382 3.061 1.00 0.83 H new ATOM 542 N SER A 45 10.238 -3.092 -0.903 1.00 0.57 N ATOM 543 CA SER A 45 10.764 -4.164 -1.755 1.00 0.63 C ATOM 544 C SER A 45 11.746 -5.074 -1.023 1.00 1.01 C ATOM 545 O SER A 45 12.906 -4.722 -0.845 1.00 1.78 O ATOM 546 CB SER A 45 11.473 -3.545 -2.958 1.00 0.73 C ATOM 547 OG SER A 45 12.219 -4.519 -3.659 1.00 1.62 O ATOM 0 H SER A 45 9.940 -2.274 -1.434 1.00 0.57 H new ATOM 0 HA SER A 45 9.916 -4.775 -2.064 1.00 0.63 H new ATOM 0 HB2 SER A 45 10.739 -3.094 -3.625 1.00 0.73 H new ATOM 0 HB3 SER A 45 12.134 -2.745 -2.624 1.00 0.73 H new ATOM 0 HG SER A 45 11.815 -5.401 -3.522 1.00 1.62 H new ATOM 553 N LYS A 46 11.283 -6.239 -0.604 1.00 1.32 N ATOM 554 CA LYS A 46 12.172 -7.232 -0.031 1.00 1.69 C ATOM 555 C LYS A 46 12.425 -8.314 -1.064 1.00 1.14 C ATOM 556 O LYS A 46 11.534 -8.641 -1.846 1.00 1.47 O ATOM 557 CB LYS A 46 11.579 -7.860 1.237 1.00 2.68 C ATOM 558 CG LYS A 46 11.161 -6.854 2.298 1.00 3.45 C ATOM 559 CD LYS A 46 11.469 -7.352 3.705 1.00 4.39 C ATOM 560 CE LYS A 46 12.970 -7.386 3.963 1.00 5.19 C ATOM 561 NZ LYS A 46 13.300 -7.764 5.363 1.00 5.84 N ATOM 0 H LYS A 46 10.303 -6.519 -0.650 1.00 1.32 H new ATOM 0 HA LYS A 46 13.104 -6.741 0.248 1.00 1.69 H new ATOM 0 HB2 LYS A 46 10.712 -8.459 0.960 1.00 2.68 H new ATOM 0 HB3 LYS A 46 12.313 -8.541 1.668 1.00 2.68 H new ATOM 0 HG2 LYS A 46 11.677 -5.909 2.126 1.00 3.45 H new ATOM 0 HG3 LYS A 46 10.093 -6.655 2.209 1.00 3.45 H new ATOM 0 HD2 LYS A 46 10.987 -6.704 4.436 1.00 4.39 H new ATOM 0 HD3 LYS A 46 11.052 -8.350 3.839 1.00 4.39 H new ATOM 0 HE2 LYS A 46 13.437 -8.095 3.279 1.00 5.19 H new ATOM 0 HE3 LYS A 46 13.395 -6.406 3.745 1.00 5.19 H new ATOM 0 HZ1 LYS A 46 14.313 -7.987 5.433 1.00 5.84 H new ATOM 0 HZ2 LYS A 46 13.075 -6.972 5.999 1.00 5.84 H new ATOM 0 HZ3 LYS A 46 12.742 -8.598 5.638 1.00 5.84 H new ATOM 575 N CYS A 47 13.623 -8.864 -1.082 1.00 1.21 N ATOM 576 CA CYS A 47 13.927 -9.924 -2.020 1.00 1.53 C ATOM 577 C CYS A 47 14.084 -11.230 -1.257 1.00 1.99 C ATOM 578 O CYS A 47 15.022 -11.401 -0.478 1.00 2.46 O ATOM 579 CB CYS A 47 15.208 -9.585 -2.790 1.00 2.04 C ATOM 580 SG CYS A 47 15.334 -10.382 -4.412 1.00 3.55 S ATOM 0 H CYS A 47 14.392 -8.599 -0.466 1.00 1.21 H new ATOM 0 HA CYS A 47 13.116 -10.029 -2.740 1.00 1.53 H new ATOM 0 HB2 CYS A 47 15.263 -8.505 -2.924 1.00 2.04 H new ATOM 0 HB3 CYS A 47 16.068 -9.876 -2.187 1.00 2.04 H new ATOM 0 HG CYS A 47 16.448 -10.031 -4.983 1.00 3.55 H new ATOM 586 N GLY A 48 13.172 -12.159 -1.504 1.00 2.39 N ATOM 587 CA GLY A 48 13.156 -13.406 -0.765 1.00 2.91 C ATOM 588 C GLY A 48 12.706 -13.234 0.678 1.00 2.40 C ATOM 589 O GLY A 48 12.919 -14.120 1.507 1.00 2.46 O ATOM 0 H GLY A 48 12.438 -12.071 -2.207 1.00 2.39 H new ATOM 0 HA2 GLY A 48 12.492 -14.111 -1.266 1.00 2.91 H new ATOM 0 HA3 GLY A 48 14.154 -13.844 -0.779 1.00 2.91 H new ATOM 593 N TYR A 49 12.075 -12.100 0.985 1.00 2.15 N ATOM 594 CA TYR A 49 11.602 -11.827 2.342 1.00 1.79 C ATOM 595 C TYR A 49 10.117 -11.480 2.341 1.00 1.42 C ATOM 596 O TYR A 49 9.551 -11.133 1.305 1.00 1.67 O ATOM 597 CB TYR A 49 12.345 -10.649 2.974 1.00 2.10 C ATOM 598 CG TYR A 49 13.850 -10.749 3.016 1.00 2.40 C ATOM 599 CD1 TYR A 49 14.471 -11.652 3.871 1.00 2.66 C ATOM 600 CD2 TYR A 49 14.646 -9.985 2.177 1.00 3.01 C ATOM 601 CE1 TYR A 49 15.842 -11.783 3.894 1.00 3.26 C ATOM 602 CE2 TYR A 49 16.020 -10.117 2.189 1.00 3.74 C ATOM 603 CZ TYR A 49 16.621 -10.851 3.138 1.00 3.76 C ATOM 604 OH TYR A 49 17.979 -11.165 3.061 1.00 4.63 O ATOM 0 H TYR A 49 11.880 -11.357 0.314 1.00 2.15 H new ATOM 0 HA TYR A 49 11.786 -12.734 2.918 1.00 1.79 H new ATOM 0 HB2 TYR A 49 12.078 -9.744 2.428 1.00 2.10 H new ATOM 0 HB3 TYR A 49 11.982 -10.524 3.994 1.00 2.10 H new ATOM 0 HD1 TYR A 49 13.868 -12.261 4.528 1.00 2.66 H new ATOM 0 HD2 TYR A 49 14.185 -9.277 1.505 1.00 3.01 H new ATOM 0 HE1 TYR A 49 16.315 -12.567 4.466 1.00 3.26 H new ATOM 0 HE2 TYR A 49 16.614 -9.627 1.431 1.00 3.74 H new ATOM 0 HH TYR A 49 18.442 -10.485 2.529 1.00 4.63 H new ATOM 614 N THR A 50 9.509 -11.534 3.520 1.00 1.05 N ATOM 615 CA THR A 50 8.103 -11.186 3.690 1.00 0.81 C ATOM 616 C THR A 50 7.740 -11.156 5.179 1.00 0.77 C ATOM 617 O THR A 50 8.177 -12.013 5.946 1.00 1.44 O ATOM 618 CB THR A 50 7.189 -12.186 2.945 1.00 1.09 C ATOM 619 OG1 THR A 50 5.809 -11.934 3.248 1.00 1.93 O ATOM 620 CG2 THR A 50 7.537 -13.627 3.295 1.00 1.87 C ATOM 0 H THR A 50 9.974 -11.819 4.382 1.00 1.05 H new ATOM 0 HA THR A 50 7.947 -10.195 3.263 1.00 0.81 H new ATOM 0 HB THR A 50 7.353 -12.043 1.877 1.00 1.09 H new ATOM 0 HG1 THR A 50 5.266 -12.698 2.960 1.00 1.93 H new ATOM 0 HG21 THR A 50 6.875 -14.303 2.754 1.00 1.87 H new ATOM 0 HG22 THR A 50 8.571 -13.830 3.015 1.00 1.87 H new ATOM 0 HG23 THR A 50 7.415 -13.781 4.367 1.00 1.87 H new ATOM 628 N LYS A 51 6.968 -10.152 5.594 1.00 0.61 N ATOM 629 CA LYS A 51 6.495 -10.063 6.966 1.00 0.56 C ATOM 630 C LYS A 51 5.073 -10.606 7.063 1.00 0.76 C ATOM 631 O LYS A 51 4.398 -10.441 8.078 1.00 1.55 O ATOM 632 CB LYS A 51 6.540 -8.598 7.424 1.00 0.59 C ATOM 633 CG LYS A 51 7.892 -8.162 7.963 1.00 1.22 C ATOM 634 CD LYS A 51 8.134 -8.718 9.359 1.00 1.39 C ATOM 635 CE LYS A 51 7.061 -8.246 10.331 1.00 1.46 C ATOM 636 NZ LYS A 51 7.238 -8.813 11.690 1.00 2.01 N ATOM 0 H LYS A 51 6.658 -9.388 4.993 1.00 0.61 H new ATOM 0 HA LYS A 51 7.138 -10.660 7.613 1.00 0.56 H new ATOM 0 HB2 LYS A 51 6.271 -7.957 6.585 1.00 0.59 H new ATOM 0 HB3 LYS A 51 5.786 -8.446 8.196 1.00 0.59 H new ATOM 0 HG2 LYS A 51 8.681 -8.502 7.292 1.00 1.22 H new ATOM 0 HG3 LYS A 51 7.942 -7.073 7.989 1.00 1.22 H new ATOM 0 HD2 LYS A 51 8.143 -9.807 9.323 1.00 1.39 H new ATOM 0 HD3 LYS A 51 9.115 -8.403 9.714 1.00 1.39 H new ATOM 0 HE2 LYS A 51 7.081 -7.158 10.389 1.00 1.46 H new ATOM 0 HE3 LYS A 51 6.080 -8.527 9.948 1.00 1.46 H new ATOM 0 HZ1 LYS A 51 6.483 -8.462 12.314 1.00 2.01 H new ATOM 0 HZ2 LYS A 51 7.192 -9.851 11.642 1.00 2.01 H new ATOM 0 HZ3 LYS A 51 8.163 -8.524 12.069 1.00 2.01 H new ATOM 650 N GLY A 52 4.636 -11.270 5.997 1.00 0.45 N ATOM 651 CA GLY A 52 3.251 -11.657 5.872 1.00 0.51 C ATOM 652 C GLY A 52 2.585 -10.838 4.798 1.00 0.41 C ATOM 653 O GLY A 52 1.721 -11.326 4.073 1.00 0.41 O ATOM 0 H GLY A 52 5.227 -11.547 5.213 1.00 0.45 H new ATOM 0 HA2 GLY A 52 3.181 -12.717 5.629 1.00 0.51 H new ATOM 0 HA3 GLY A 52 2.737 -11.513 6.822 1.00 0.51 H new ATOM 657 N GLY A 53 3.027 -9.585 4.695 1.00 0.44 N ATOM 658 CA GLY A 53 2.534 -8.658 3.688 1.00 0.50 C ATOM 659 C GLY A 53 2.439 -9.262 2.299 1.00 0.36 C ATOM 660 O GLY A 53 1.434 -9.096 1.630 1.00 0.32 O ATOM 0 H GLY A 53 3.737 -9.188 5.310 1.00 0.44 H new ATOM 0 HA2 GLY A 53 1.549 -8.300 3.987 1.00 0.50 H new ATOM 0 HA3 GLY A 53 3.192 -7.789 3.653 1.00 0.50 H new ATOM 664 N TYR A 54 3.479 -9.967 1.872 1.00 0.37 N ATOM 665 CA TYR A 54 3.539 -10.511 0.520 1.00 0.36 C ATOM 666 C TYR A 54 2.391 -11.487 0.275 1.00 0.26 C ATOM 667 O TYR A 54 1.550 -11.262 -0.595 1.00 0.25 O ATOM 668 CB TYR A 54 4.879 -11.211 0.334 1.00 0.45 C ATOM 669 CG TYR A 54 5.369 -11.309 -1.092 1.00 0.41 C ATOM 670 CD1 TYR A 54 4.491 -11.069 -2.132 1.00 0.45 C ATOM 671 CD2 TYR A 54 6.687 -11.636 -1.401 1.00 0.53 C ATOM 672 CE1 TYR A 54 4.897 -11.148 -3.441 1.00 0.46 C ATOM 673 CE2 TYR A 54 7.111 -11.715 -2.716 1.00 0.65 C ATOM 674 CZ TYR A 54 6.332 -11.507 -3.689 1.00 0.56 C ATOM 675 OH TYR A 54 6.617 -11.537 -5.046 1.00 0.70 O ATOM 0 H TYR A 54 4.296 -10.177 2.445 1.00 0.37 H new ATOM 0 HA TYR A 54 3.442 -9.699 -0.201 1.00 0.36 H new ATOM 0 HB2 TYR A 54 5.630 -10.683 0.922 1.00 0.45 H new ATOM 0 HB3 TYR A 54 4.803 -12.218 0.744 1.00 0.45 H new ATOM 0 HD1 TYR A 54 3.465 -10.814 -1.910 1.00 0.45 H new ATOM 0 HD2 TYR A 54 7.388 -11.831 -0.603 1.00 0.53 H new ATOM 0 HE1 TYR A 54 4.214 -10.960 -4.256 1.00 0.46 H new ATOM 0 HE2 TYR A 54 8.143 -11.963 -2.917 1.00 0.65 H new ATOM 0 HH TYR A 54 6.932 -10.655 -5.334 1.00 0.70 H new ATOM 685 N GLU A 55 2.366 -12.558 1.059 1.00 0.25 N ATOM 686 CA GLU A 55 1.313 -13.579 0.986 1.00 0.27 C ATOM 687 C GLU A 55 -0.069 -12.949 1.120 1.00 0.22 C ATOM 688 O GLU A 55 -1.048 -13.407 0.528 1.00 0.25 O ATOM 689 CB GLU A 55 1.491 -14.609 2.111 1.00 0.36 C ATOM 690 CG GLU A 55 2.694 -14.365 3.001 1.00 1.14 C ATOM 691 CD GLU A 55 4.001 -14.782 2.368 1.00 1.92 C ATOM 692 OE1 GLU A 55 4.352 -15.976 2.447 1.00 2.39 O ATOM 693 OE2 GLU A 55 4.690 -13.910 1.805 1.00 2.61 O ATOM 0 H GLU A 55 3.075 -12.749 1.767 1.00 0.25 H new ATOM 0 HA GLU A 55 1.395 -14.067 0.015 1.00 0.27 H new ATOM 0 HB2 GLU A 55 0.593 -14.613 2.728 1.00 0.36 H new ATOM 0 HB3 GLU A 55 1.578 -15.601 1.668 1.00 0.36 H new ATOM 0 HG2 GLU A 55 2.742 -13.306 3.253 1.00 1.14 H new ATOM 0 HG3 GLU A 55 2.562 -14.909 3.936 1.00 1.14 H new ATOM 700 N THR A 56 -0.122 -11.875 1.883 1.00 0.25 N ATOM 701 CA THR A 56 -1.365 -11.217 2.221 1.00 0.24 C ATOM 702 C THR A 56 -1.878 -10.415 1.052 1.00 0.21 C ATOM 703 O THR A 56 -2.965 -10.658 0.545 1.00 0.22 O ATOM 704 CB THR A 56 -1.144 -10.297 3.426 1.00 0.26 C ATOM 705 OG1 THR A 56 -0.806 -11.090 4.567 1.00 0.33 O ATOM 706 CG2 THR A 56 -2.366 -9.451 3.715 1.00 0.25 C ATOM 0 H THR A 56 0.703 -11.433 2.288 1.00 0.25 H new ATOM 0 HA THR A 56 -2.107 -11.975 2.470 1.00 0.24 H new ATOM 0 HB THR A 56 -0.326 -9.615 3.195 1.00 0.26 H new ATOM 0 HG1 THR A 56 0.073 -11.502 4.430 1.00 0.33 H new ATOM 0 HG21 THR A 56 -2.171 -8.812 4.576 1.00 0.25 H new ATOM 0 HG22 THR A 56 -2.593 -8.831 2.847 1.00 0.25 H new ATOM 0 HG23 THR A 56 -3.215 -10.100 3.930 1.00 0.25 H new ATOM 714 N ALA A 57 -1.061 -9.483 0.621 1.00 0.19 N ATOM 715 CA ALA A 57 -1.387 -8.601 -0.470 1.00 0.20 C ATOM 716 C ALA A 57 -1.665 -9.389 -1.736 1.00 0.19 C ATOM 717 O ALA A 57 -2.590 -9.073 -2.486 1.00 0.22 O ATOM 718 CB ALA A 57 -0.236 -7.648 -0.674 1.00 0.22 C ATOM 0 H ALA A 57 -0.139 -9.315 1.025 1.00 0.19 H new ATOM 0 HA ALA A 57 -2.291 -8.040 -0.232 1.00 0.20 H new ATOM 0 HB1 ALA A 57 -0.465 -6.972 -1.497 1.00 0.22 H new ATOM 0 HB2 ALA A 57 -0.076 -7.070 0.236 1.00 0.22 H new ATOM 0 HB3 ALA A 57 0.666 -8.212 -0.909 1.00 0.22 H new ATOM 724 N THR A 58 -0.864 -10.425 -1.957 1.00 0.17 N ATOM 725 CA THR A 58 -1.022 -11.283 -3.116 1.00 0.17 C ATOM 726 C THR A 58 -2.420 -11.909 -3.129 1.00 0.17 C ATOM 727 O THR A 58 -3.185 -11.759 -4.092 1.00 0.19 O ATOM 728 CB THR A 58 0.036 -12.407 -3.117 1.00 0.20 C ATOM 729 OG1 THR A 58 1.352 -11.844 -3.160 1.00 0.24 O ATOM 730 CG2 THR A 58 -0.155 -13.345 -4.301 1.00 0.26 C ATOM 0 H THR A 58 -0.095 -10.689 -1.342 1.00 0.17 H new ATOM 0 HA THR A 58 -0.889 -10.668 -4.006 1.00 0.17 H new ATOM 0 HB THR A 58 -0.087 -12.982 -2.199 1.00 0.20 H new ATOM 0 HG1 THR A 58 1.570 -11.455 -2.287 1.00 0.24 H new ATOM 0 HG21 THR A 58 0.605 -14.125 -4.273 1.00 0.26 H new ATOM 0 HG22 THR A 58 -1.144 -13.800 -4.249 1.00 0.26 H new ATOM 0 HG23 THR A 58 -0.063 -12.782 -5.230 1.00 0.26 H new ATOM 738 N THR A 59 -2.751 -12.579 -2.027 1.00 0.16 N ATOM 739 CA THR A 59 -4.004 -13.305 -1.900 1.00 0.17 C ATOM 740 C THR A 59 -5.202 -12.358 -1.825 1.00 0.16 C ATOM 741 O THR A 59 -6.240 -12.614 -2.427 1.00 0.19 O ATOM 742 CB THR A 59 -3.982 -14.203 -0.648 1.00 0.20 C ATOM 743 OG1 THR A 59 -2.854 -15.087 -0.711 1.00 0.48 O ATOM 744 CG2 THR A 59 -5.263 -15.015 -0.525 1.00 0.46 C ATOM 0 H THR A 59 -2.156 -12.631 -1.200 1.00 0.16 H new ATOM 0 HA THR A 59 -4.111 -13.922 -2.792 1.00 0.17 H new ATOM 0 HB THR A 59 -3.903 -13.561 0.230 1.00 0.20 H new ATOM 0 HG1 THR A 59 -2.075 -14.653 -0.304 1.00 0.48 H new ATOM 0 HG21 THR A 59 -5.215 -15.638 0.368 1.00 0.46 H new ATOM 0 HG22 THR A 59 -6.116 -14.340 -0.452 1.00 0.46 H new ATOM 0 HG23 THR A 59 -5.377 -15.650 -1.404 1.00 0.46 H new ATOM 752 N LEU A 60 -5.042 -11.253 -1.110 1.00 0.13 N ATOM 753 CA LEU A 60 -6.127 -10.322 -0.885 1.00 0.13 C ATOM 754 C LEU A 60 -6.556 -9.699 -2.178 1.00 0.13 C ATOM 755 O LEU A 60 -7.744 -9.643 -2.492 1.00 0.15 O ATOM 756 CB LEU A 60 -5.685 -9.244 0.076 1.00 0.13 C ATOM 757 CG LEU A 60 -5.812 -9.633 1.531 1.00 0.14 C ATOM 758 CD1 LEU A 60 -5.291 -8.527 2.422 1.00 0.43 C ATOM 759 CD2 LEU A 60 -7.264 -9.928 1.841 1.00 0.35 C ATOM 0 H LEU A 60 -4.160 -10.982 -0.674 1.00 0.13 H new ATOM 0 HA LEU A 60 -6.971 -10.865 -0.458 1.00 0.13 H new ATOM 0 HB2 LEU A 60 -4.646 -8.988 -0.133 1.00 0.13 H new ATOM 0 HB3 LEU A 60 -6.276 -8.346 -0.103 1.00 0.13 H new ATOM 0 HG LEU A 60 -5.215 -10.525 1.721 1.00 0.14 H new ATOM 0 HD11 LEU A 60 -5.390 -8.824 3.466 1.00 0.43 H new ATOM 0 HD12 LEU A 60 -4.241 -8.341 2.196 1.00 0.43 H new ATOM 0 HD13 LEU A 60 -5.866 -7.618 2.247 1.00 0.43 H new ATOM 0 HD21 LEU A 60 -7.362 -10.209 2.889 1.00 0.35 H new ATOM 0 HD22 LEU A 60 -7.865 -9.040 1.646 1.00 0.35 H new ATOM 0 HD23 LEU A 60 -7.611 -10.747 1.211 1.00 0.35 H new ATOM 771 N TYR A 61 -5.573 -9.245 -2.928 1.00 0.14 N ATOM 772 CA TYR A 61 -5.824 -8.671 -4.217 1.00 0.15 C ATOM 773 C TYR A 61 -6.612 -9.636 -5.078 1.00 0.17 C ATOM 774 O TYR A 61 -7.668 -9.310 -5.538 1.00 0.22 O ATOM 775 CB TYR A 61 -4.526 -8.319 -4.913 1.00 0.17 C ATOM 776 CG TYR A 61 -4.781 -7.670 -6.241 1.00 0.18 C ATOM 777 CD1 TYR A 61 -5.874 -6.862 -6.449 1.00 0.16 C ATOM 778 CD2 TYR A 61 -3.905 -7.877 -7.287 1.00 0.28 C ATOM 779 CE1 TYR A 61 -6.103 -6.275 -7.675 1.00 0.18 C ATOM 780 CE2 TYR A 61 -4.118 -7.297 -8.515 1.00 0.31 C ATOM 781 CZ TYR A 61 -5.279 -6.446 -8.674 1.00 0.23 C ATOM 782 OH TYR A 61 -5.439 -5.918 -9.940 1.00 0.28 O ATOM 0 H TYR A 61 -4.590 -9.267 -2.657 1.00 0.14 H new ATOM 0 HA TYR A 61 -6.404 -7.759 -4.071 1.00 0.15 H new ATOM 0 HB2 TYR A 61 -3.943 -7.647 -4.283 1.00 0.17 H new ATOM 0 HB3 TYR A 61 -3.930 -9.221 -5.054 1.00 0.17 H new ATOM 0 HD1 TYR A 61 -6.565 -6.684 -5.638 1.00 0.16 H new ATOM 0 HD2 TYR A 61 -3.039 -8.504 -7.139 1.00 0.28 H new ATOM 0 HE1 TYR A 61 -6.981 -5.662 -7.812 1.00 0.18 H new ATOM 0 HE2 TYR A 61 -3.439 -7.471 -9.337 1.00 0.31 H new ATOM 0 HH TYR A 61 -4.686 -6.190 -10.506 1.00 0.28 H new ATOM 792 N ASN A 62 -6.113 -10.839 -5.230 1.00 0.18 N ATOM 793 CA ASN A 62 -6.675 -11.802 -6.162 1.00 0.22 C ATOM 794 C ASN A 62 -7.995 -12.352 -5.675 1.00 0.20 C ATOM 795 O ASN A 62 -8.818 -12.795 -6.474 1.00 0.24 O ATOM 796 CB ASN A 62 -5.678 -12.923 -6.433 1.00 0.27 C ATOM 797 CG ASN A 62 -4.705 -12.526 -7.520 1.00 0.75 C ATOM 798 OD1 ASN A 62 -4.858 -12.910 -8.680 1.00 1.21 O ATOM 799 ND2 ASN A 62 -3.725 -11.717 -7.162 1.00 1.12 N ATOM 0 H ASN A 62 -5.304 -11.184 -4.713 1.00 0.18 H new ATOM 0 HA ASN A 62 -6.874 -11.281 -7.099 1.00 0.22 H new ATOM 0 HB2 ASN A 62 -5.133 -13.159 -5.519 1.00 0.27 H new ATOM 0 HB3 ASN A 62 -6.211 -13.826 -6.729 1.00 0.27 H new ATOM 0 HD21 ASN A 62 -3.057 -11.385 -7.858 1.00 1.12 H new ATOM 0 HD22 ASN A 62 -3.635 -11.424 -6.189 1.00 1.12 H new ATOM 806 N LYS A 63 -8.212 -12.318 -4.372 1.00 0.18 N ATOM 807 CA LYS A 63 -9.433 -12.845 -3.826 1.00 0.20 C ATOM 808 C LYS A 63 -10.504 -11.785 -3.924 1.00 0.18 C ATOM 809 O LYS A 63 -11.696 -12.087 -3.903 1.00 0.22 O ATOM 810 CB LYS A 63 -9.222 -13.289 -2.372 1.00 0.26 C ATOM 811 CG LYS A 63 -10.447 -13.920 -1.722 1.00 0.29 C ATOM 812 CD LYS A 63 -10.072 -14.728 -0.488 1.00 0.64 C ATOM 813 CE LYS A 63 -9.470 -13.850 0.596 1.00 0.91 C ATOM 814 NZ LYS A 63 -9.173 -14.615 1.833 1.00 1.54 N ATOM 0 H LYS A 63 -7.562 -11.934 -3.686 1.00 0.18 H new ATOM 0 HA LYS A 63 -9.746 -13.723 -4.392 1.00 0.20 H new ATOM 0 HB2 LYS A 63 -8.400 -14.004 -2.339 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -8.917 -12.425 -1.782 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.156 -13.139 -1.445 1.00 0.29 H new ATOM 0 HG3 LYS A 63 -10.950 -14.566 -2.442 1.00 0.29 H new ATOM 0 HD2 LYS A 63 -10.957 -15.231 -0.099 1.00 0.64 H new ATOM 0 HD3 LYS A 63 -9.360 -15.505 -0.764 1.00 0.64 H new ATOM 0 HE2 LYS A 63 -8.553 -13.393 0.224 1.00 0.91 H new ATOM 0 HE3 LYS A 63 -10.159 -13.038 0.829 1.00 0.91 H new ATOM 0 HZ1 LYS A 63 -8.717 -13.989 2.527 1.00 1.54 H new ATOM 0 HZ2 LYS A 63 -10.058 -14.988 2.232 1.00 1.54 H new ATOM 0 HZ3 LYS A 63 -8.535 -15.405 1.608 1.00 1.54 H new ATOM 828 N TYR A 64 -10.087 -10.524 -4.053 1.00 0.16 N ATOM 829 CA TYR A 64 -11.055 -9.456 -4.003 1.00 0.16 C ATOM 830 C TYR A 64 -11.004 -8.461 -5.152 1.00 0.17 C ATOM 831 O TYR A 64 -11.857 -7.572 -5.224 1.00 0.17 O ATOM 832 CB TYR A 64 -10.985 -8.782 -2.652 1.00 0.15 C ATOM 833 CG TYR A 64 -11.451 -9.708 -1.564 1.00 0.17 C ATOM 834 CD1 TYR A 64 -12.726 -10.250 -1.567 1.00 0.19 C ATOM 835 CD2 TYR A 64 -10.605 -10.017 -0.512 1.00 0.19 C ATOM 836 CE1 TYR A 64 -13.141 -11.077 -0.545 1.00 0.23 C ATOM 837 CE2 TYR A 64 -11.006 -10.841 0.507 1.00 0.23 C ATOM 838 CZ TYR A 64 -12.343 -11.457 0.390 1.00 0.24 C ATOM 839 OH TYR A 64 -12.691 -12.190 1.513 1.00 0.31 O ATOM 0 H TYR A 64 -9.118 -10.235 -4.188 1.00 0.16 H new ATOM 0 HA TYR A 64 -12.031 -9.923 -4.138 1.00 0.16 H new ATOM 0 HB2 TYR A 64 -9.961 -8.466 -2.452 1.00 0.15 H new ATOM 0 HB3 TYR A 64 -11.601 -7.883 -2.658 1.00 0.15 H new ATOM 0 HD1 TYR A 64 -13.402 -10.022 -2.378 1.00 0.19 H new ATOM 0 HD2 TYR A 64 -9.609 -9.600 -0.494 1.00 0.19 H new ATOM 0 HE1 TYR A 64 -14.166 -11.416 -0.529 1.00 0.23 H new ATOM 0 HE2 TYR A 64 -10.371 -11.032 1.360 1.00 0.23 H new ATOM 0 HH TYR A 64 -12.182 -11.866 2.286 1.00 0.31 H new ATOM 849 N LYS A 65 -10.070 -8.615 -6.080 1.00 0.20 N ATOM 850 CA LYS A 65 -10.104 -7.809 -7.292 1.00 0.23 C ATOM 851 C LYS A 65 -11.326 -8.195 -8.065 1.00 0.20 C ATOM 852 O LYS A 65 -11.904 -7.390 -8.791 1.00 0.22 O ATOM 853 CB LYS A 65 -8.851 -7.956 -8.170 1.00 0.34 C ATOM 854 CG LYS A 65 -8.279 -9.361 -8.289 1.00 0.29 C ATOM 855 CD LYS A 65 -7.103 -9.383 -9.246 1.00 0.38 C ATOM 856 CE LYS A 65 -7.562 -9.561 -10.685 1.00 0.80 C ATOM 857 NZ LYS A 65 -6.416 -9.681 -11.623 1.00 1.35 N ATOM 0 H LYS A 65 -9.295 -9.276 -6.021 1.00 0.20 H new ATOM 0 HA LYS A 65 -10.129 -6.760 -6.997 1.00 0.23 H new ATOM 0 HB2 LYS A 65 -9.089 -7.596 -9.171 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -8.075 -7.302 -7.773 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -7.962 -9.714 -7.308 1.00 0.29 H new ATOM 0 HG3 LYS A 65 -9.052 -10.045 -8.639 1.00 0.29 H new ATOM 0 HD2 LYS A 65 -6.540 -8.454 -9.154 1.00 0.38 H new ATOM 0 HD3 LYS A 65 -6.427 -10.194 -8.975 1.00 0.38 H new ATOM 0 HE2 LYS A 65 -8.186 -10.452 -10.759 1.00 0.80 H new ATOM 0 HE3 LYS A 65 -8.181 -8.713 -10.976 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 -6.772 -9.801 -12.593 1.00 1.35 H new ATOM 0 HZ2 LYS A 65 -5.834 -8.821 -11.572 1.00 1.35 H new ATOM 0 HZ3 LYS A 65 -5.839 -10.506 -11.362 1.00 1.35 H new ATOM 871 N SER A 66 -11.732 -9.435 -7.842 1.00 0.23 N ATOM 872 CA SER A 66 -12.978 -9.950 -8.392 1.00 0.26 C ATOM 873 C SER A 66 -14.130 -8.965 -8.150 1.00 0.25 C ATOM 874 O SER A 66 -14.978 -8.769 -9.023 1.00 0.31 O ATOM 875 CB SER A 66 -13.289 -11.305 -7.764 1.00 0.32 C ATOM 876 OG SER A 66 -12.151 -12.149 -7.824 1.00 1.28 O ATOM 0 H SER A 66 -11.213 -10.109 -7.279 1.00 0.23 H new ATOM 0 HA SER A 66 -12.866 -10.072 -9.469 1.00 0.26 H new ATOM 0 HB2 SER A 66 -13.596 -11.171 -6.727 1.00 0.32 H new ATOM 0 HB3 SER A 66 -14.124 -11.772 -8.286 1.00 0.32 H new ATOM 0 HG SER A 66 -12.364 -13.014 -7.416 1.00 1.28 H new ATOM 882 N GLN A 67 -14.145 -8.332 -6.973 1.00 0.21 N ATOM 883 CA GLN A 67 -15.121 -7.281 -6.688 1.00 0.20 C ATOM 884 C GLN A 67 -14.635 -5.909 -7.179 1.00 0.20 C ATOM 885 O GLN A 67 -15.415 -5.128 -7.724 1.00 0.27 O ATOM 886 CB GLN A 67 -15.433 -7.226 -5.187 1.00 0.21 C ATOM 887 CG GLN A 67 -16.157 -8.463 -4.677 1.00 0.38 C ATOM 888 CD GLN A 67 -16.560 -8.356 -3.221 1.00 0.52 C ATOM 889 OE1 GLN A 67 -15.700 -8.827 -2.328 1.00 1.11 O flip ATOM 890 NE2 GLN A 67 -17.645 -7.870 -2.899 1.00 0.46 N flip ATOM 0 H GLN A 67 -13.498 -8.528 -6.210 1.00 0.21 H new ATOM 0 HA GLN A 67 -16.034 -7.527 -7.231 1.00 0.20 H new ATOM 0 HB2 GLN A 67 -14.502 -7.105 -4.634 1.00 0.21 H new ATOM 0 HB3 GLN A 67 -16.043 -6.346 -4.982 1.00 0.21 H new ATOM 0 HG2 GLN A 67 -17.047 -8.632 -5.283 1.00 0.38 H new ATOM 0 HG3 GLN A 67 -15.513 -9.333 -4.807 1.00 0.38 H new ATOM 0 HE21 GLN A 67 -18.279 -7.518 -3.616 1.00 0.46 H new ATOM 0 HE22 GLN A 67 -17.909 -7.819 -1.915 1.00 0.46 H new ATOM 899 N GLY A 68 -13.347 -5.635 -7.007 1.00 0.17 N ATOM 900 CA GLY A 68 -12.787 -4.343 -7.353 1.00 0.18 C ATOM 901 C GLY A 68 -11.611 -3.994 -6.456 1.00 0.15 C ATOM 902 O GLY A 68 -10.951 -2.970 -6.643 1.00 0.17 O ATOM 0 H GLY A 68 -12.671 -6.298 -6.627 1.00 0.17 H new ATOM 0 HA2 GLY A 68 -12.464 -4.351 -8.394 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -13.556 -3.575 -7.264 1.00 0.18 H new ATOM 906 N PHE A 69 -11.346 -4.871 -5.491 1.00 0.14 N ATOM 907 CA PHE A 69 -10.282 -4.672 -4.509 1.00 0.13 C ATOM 908 C PHE A 69 -8.910 -4.824 -5.141 1.00 0.14 C ATOM 909 O PHE A 69 -8.704 -5.682 -5.987 1.00 0.18 O ATOM 910 CB PHE A 69 -10.436 -5.678 -3.360 1.00 0.14 C ATOM 911 CG PHE A 69 -9.381 -5.547 -2.309 1.00 0.12 C ATOM 912 CD1 PHE A 69 -9.140 -4.322 -1.761 1.00 0.14 C ATOM 913 CD2 PHE A 69 -8.627 -6.631 -1.884 1.00 0.14 C ATOM 914 CE1 PHE A 69 -8.181 -4.148 -0.820 1.00 0.16 C ATOM 915 CE2 PHE A 69 -7.645 -6.467 -0.924 1.00 0.16 C ATOM 916 CZ PHE A 69 -7.420 -5.217 -0.394 1.00 0.14 C ATOM 0 H PHE A 69 -11.863 -5.741 -5.367 1.00 0.14 H new ATOM 0 HA PHE A 69 -10.368 -3.657 -4.122 1.00 0.13 H new ATOM 0 HB2 PHE A 69 -11.415 -5.545 -2.900 1.00 0.14 H new ATOM 0 HB3 PHE A 69 -10.410 -6.689 -3.766 1.00 0.14 H new ATOM 0 HD1 PHE A 69 -9.725 -3.474 -2.083 1.00 0.14 H new ATOM 0 HD2 PHE A 69 -8.808 -7.609 -2.305 1.00 0.14 H new ATOM 0 HE1 PHE A 69 -8.011 -3.167 -0.401 1.00 0.16 H new ATOM 0 HE2 PHE A 69 -7.060 -7.312 -0.593 1.00 0.16 H new ATOM 0 HZ PHE A 69 -6.652 -5.074 0.351 1.00 0.14 H new ATOM 926 N THR A 70 -7.973 -3.986 -4.739 1.00 0.13 N ATOM 927 CA THR A 70 -6.626 -4.108 -5.190 1.00 0.12 C ATOM 928 C THR A 70 -5.726 -4.003 -4.015 1.00 0.12 C ATOM 929 O THR A 70 -6.074 -3.415 -3.011 1.00 0.19 O ATOM 930 CB THR A 70 -6.260 -3.002 -6.177 1.00 0.15 C ATOM 931 OG1 THR A 70 -5.122 -3.375 -6.945 1.00 0.20 O ATOM 932 CG2 THR A 70 -5.971 -1.702 -5.462 1.00 0.19 C ATOM 0 H THR A 70 -8.136 -3.212 -4.095 1.00 0.13 H new ATOM 0 HA THR A 70 -6.519 -5.069 -5.694 1.00 0.12 H new ATOM 0 HB THR A 70 -7.115 -2.858 -6.837 1.00 0.15 H new ATOM 0 HG1 THR A 70 -5.244 -4.284 -7.290 1.00 0.20 H new ATOM 0 HG21 THR A 70 -5.714 -0.935 -6.192 1.00 0.19 H new ATOM 0 HG22 THR A 70 -6.853 -1.390 -4.903 1.00 0.19 H new ATOM 0 HG23 THR A 70 -5.137 -1.843 -4.774 1.00 0.19 H new ATOM 940 N VAL A 71 -4.607 -4.610 -4.125 1.00 0.13 N ATOM 941 CA VAL A 71 -3.520 -4.258 -3.294 1.00 0.13 C ATOM 942 C VAL A 71 -2.459 -3.616 -4.150 1.00 0.13 C ATOM 943 O VAL A 71 -1.743 -4.299 -4.873 1.00 0.15 O ATOM 944 CB VAL A 71 -2.953 -5.476 -2.577 1.00 0.15 C ATOM 945 CG1 VAL A 71 -1.618 -5.132 -1.954 1.00 0.16 C ATOM 946 CG2 VAL A 71 -3.926 -5.966 -1.518 1.00 0.17 C ATOM 0 H VAL A 71 -4.418 -5.361 -4.789 1.00 0.13 H new ATOM 0 HA VAL A 71 -3.863 -3.562 -2.528 1.00 0.13 H new ATOM 0 HB VAL A 71 -2.805 -6.277 -3.302 1.00 0.15 H new ATOM 0 HG11 VAL A 71 -1.218 -6.008 -1.443 1.00 0.16 H new ATOM 0 HG12 VAL A 71 -0.923 -4.818 -2.733 1.00 0.16 H new ATOM 0 HG13 VAL A 71 -1.749 -4.322 -1.237 1.00 0.16 H new ATOM 0 HG21 VAL A 71 -3.507 -6.837 -1.014 1.00 0.17 H new ATOM 0 HG22 VAL A 71 -4.100 -5.174 -0.790 1.00 0.17 H new ATOM 0 HG23 VAL A 71 -4.870 -6.239 -1.990 1.00 0.17 H new ATOM 956 N LEU A 72 -2.378 -2.303 -4.115 1.00 0.17 N ATOM 957 CA LEU A 72 -1.270 -1.660 -4.805 1.00 0.22 C ATOM 958 C LEU A 72 -0.179 -1.425 -3.799 1.00 0.19 C ATOM 959 O LEU A 72 -0.397 -0.764 -2.799 1.00 0.28 O ATOM 960 CB LEU A 72 -1.581 -0.309 -5.494 1.00 0.43 C ATOM 961 CG LEU A 72 -3.012 -0.009 -5.895 1.00 0.34 C ATOM 962 CD1 LEU A 72 -3.789 0.569 -4.725 1.00 1.04 C ATOM 963 CD2 LEU A 72 -3.026 0.943 -7.073 1.00 1.00 C ATOM 0 H LEU A 72 -3.031 -1.680 -3.641 1.00 0.17 H new ATOM 0 HA LEU A 72 -0.997 -2.339 -5.613 1.00 0.22 H new ATOM 0 HB2 LEU A 72 -1.251 0.487 -4.826 1.00 0.43 H new ATOM 0 HB3 LEU A 72 -0.966 -0.246 -6.392 1.00 0.43 H new ATOM 0 HG LEU A 72 -3.497 -0.939 -6.190 1.00 0.34 H new ATOM 0 HD11 LEU A 72 -4.813 0.777 -5.035 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -3.797 -0.148 -3.904 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -3.315 1.494 -4.395 1.00 1.04 H new ATOM 0 HD21 LEU A 72 -4.057 1.155 -7.357 1.00 1.00 H new ATOM 0 HD22 LEU A 72 -2.527 1.872 -6.796 1.00 1.00 H new ATOM 0 HD23 LEU A 72 -2.504 0.488 -7.915 1.00 1.00 H new ATOM 975 N ALA A 73 0.981 -1.966 -4.048 1.00 0.22 N ATOM 976 CA ALA A 73 2.088 -1.769 -3.151 1.00 0.30 C ATOM 977 C ALA A 73 3.165 -0.907 -3.804 1.00 0.23 C ATOM 978 O ALA A 73 3.593 -1.170 -4.922 1.00 0.32 O ATOM 979 CB ALA A 73 2.634 -3.108 -2.699 1.00 0.51 C ATOM 0 H ALA A 73 1.185 -2.546 -4.862 1.00 0.22 H new ATOM 0 HA ALA A 73 1.740 -1.234 -2.267 1.00 0.30 H new ATOM 0 HB1 ALA A 73 3.472 -2.949 -2.020 1.00 0.51 H new ATOM 0 HB2 ALA A 73 1.851 -3.665 -2.185 1.00 0.51 H new ATOM 0 HB3 ALA A 73 2.972 -3.675 -3.567 1.00 0.51 H new ATOM 985 N PHE A 74 3.576 0.140 -3.107 1.00 0.29 N ATOM 986 CA PHE A 74 4.582 1.065 -3.616 1.00 0.33 C ATOM 987 C PHE A 74 5.941 0.756 -2.992 1.00 0.35 C ATOM 988 O PHE A 74 6.136 0.953 -1.795 1.00 0.37 O ATOM 989 CB PHE A 74 4.163 2.512 -3.327 1.00 0.44 C ATOM 990 CG PHE A 74 3.025 3.009 -4.181 1.00 0.36 C ATOM 991 CD1 PHE A 74 2.200 2.125 -4.868 1.00 0.43 C ATOM 992 CD2 PHE A 74 2.789 4.369 -4.304 1.00 0.41 C ATOM 993 CE1 PHE A 74 1.173 2.586 -5.657 1.00 0.41 C ATOM 994 CE2 PHE A 74 1.752 4.840 -5.102 1.00 0.43 C ATOM 995 CZ PHE A 74 0.949 3.934 -5.779 1.00 0.35 C ATOM 0 H PHE A 74 3.226 0.374 -2.178 1.00 0.29 H new ATOM 0 HA PHE A 74 4.665 0.943 -4.696 1.00 0.33 H new ATOM 0 HB2 PHE A 74 3.877 2.593 -2.278 1.00 0.44 H new ATOM 0 HB3 PHE A 74 5.024 3.164 -3.474 1.00 0.44 H new ATOM 0 HD1 PHE A 74 2.368 1.062 -4.780 1.00 0.43 H new ATOM 0 HD2 PHE A 74 3.417 5.070 -3.775 1.00 0.41 H new ATOM 0 HE1 PHE A 74 0.541 1.885 -6.182 1.00 0.41 H new ATOM 0 HE2 PHE A 74 1.574 5.901 -5.194 1.00 0.43 H new ATOM 0 HZ PHE A 74 0.144 4.291 -6.405 1.00 0.35 H new ATOM 1005 N PRO A 75 6.898 0.280 -3.807 1.00 0.37 N ATOM 1006 CA PRO A 75 8.165 -0.269 -3.321 1.00 0.46 C ATOM 1007 C PRO A 75 9.196 0.799 -2.970 1.00 0.61 C ATOM 1008 O PRO A 75 10.108 1.068 -3.745 1.00 1.30 O ATOM 1009 CB PRO A 75 8.642 -1.123 -4.486 1.00 0.54 C ATOM 1010 CG PRO A 75 8.073 -0.475 -5.702 1.00 0.44 C ATOM 1011 CD PRO A 75 6.827 0.264 -5.276 1.00 0.38 C ATOM 0 HA PRO A 75 8.032 -0.820 -2.390 1.00 0.46 H new ATOM 0 HB2 PRO A 75 9.731 -1.157 -4.530 1.00 0.54 H new ATOM 0 HB3 PRO A 75 8.295 -2.152 -4.389 1.00 0.54 H new ATOM 0 HG2 PRO A 75 8.795 0.212 -6.145 1.00 0.44 H new ATOM 0 HG3 PRO A 75 7.837 -1.222 -6.460 1.00 0.44 H new ATOM 0 HD2 PRO A 75 6.805 1.274 -5.684 1.00 0.38 H new ATOM 0 HD3 PRO A 75 5.926 -0.241 -5.625 1.00 0.38 H new ATOM 1019 N SER A 76 9.050 1.331 -1.764 1.00 0.41 N ATOM 1020 CA SER A 76 9.834 2.452 -1.245 1.00 0.37 C ATOM 1021 C SER A 76 11.276 2.474 -1.707 1.00 0.50 C ATOM 1022 O SER A 76 11.957 1.448 -1.826 1.00 0.74 O ATOM 1023 CB SER A 76 9.796 2.433 0.284 1.00 0.53 C ATOM 1024 OG SER A 76 10.371 3.611 0.826 1.00 1.44 O ATOM 0 H SER A 76 8.361 0.986 -1.096 1.00 0.41 H new ATOM 0 HA SER A 76 9.372 3.354 -1.646 1.00 0.37 H new ATOM 0 HB2 SER A 76 8.765 2.339 0.624 1.00 0.53 H new ATOM 0 HB3 SER A 76 10.334 1.560 0.653 1.00 0.53 H new ATOM 0 HG SER A 76 9.760 3.999 1.487 1.00 1.44 H new ATOM 1030 N ASN A 77 11.730 3.688 -1.919 1.00 0.52 N ATOM 1031 CA ASN A 77 13.053 3.932 -2.399 1.00 0.72 C ATOM 1032 C ASN A 77 13.993 4.138 -1.231 1.00 0.70 C ATOM 1033 O ASN A 77 13.707 4.880 -0.296 1.00 0.75 O ATOM 1034 CB ASN A 77 13.076 5.140 -3.356 1.00 0.93 C ATOM 1035 CG ASN A 77 12.368 6.383 -2.822 1.00 0.96 C ATOM 1036 OD1 ASN A 77 12.316 6.633 -1.621 1.00 1.81 O ATOM 1037 ND2 ASN A 77 11.810 7.176 -3.722 1.00 1.46 N ATOM 0 H ASN A 77 11.181 4.533 -1.760 1.00 0.52 H new ATOM 0 HA ASN A 77 13.390 3.063 -2.964 1.00 0.72 H new ATOM 0 HB2 ASN A 77 14.113 5.394 -3.576 1.00 0.93 H new ATOM 0 HB3 ASN A 77 12.612 4.850 -4.299 1.00 0.93 H new ATOM 0 HD21 ASN A 77 11.321 8.020 -3.425 1.00 1.46 H new ATOM 0 HD22 ASN A 77 11.869 6.943 -4.713 1.00 1.46 H new ATOM 1044 N GLN A 78 15.105 3.435 -1.290 1.00 0.85 N ATOM 1045 CA GLN A 78 16.222 3.625 -0.373 1.00 0.98 C ATOM 1046 C GLN A 78 16.774 5.040 -0.500 1.00 0.98 C ATOM 1047 O GLN A 78 17.629 5.468 0.273 1.00 1.12 O ATOM 1048 CB GLN A 78 17.307 2.593 -0.663 1.00 1.35 C ATOM 1049 CG GLN A 78 17.688 2.532 -2.129 1.00 2.07 C ATOM 1050 CD GLN A 78 18.765 1.504 -2.407 1.00 2.74 C ATOM 1051 OE1 GLN A 78 19.954 1.810 -2.361 1.00 3.34 O ATOM 1052 NE2 GLN A 78 18.359 0.280 -2.697 1.00 3.30 N ATOM 0 H GLN A 78 15.266 2.705 -1.984 1.00 0.85 H new ATOM 0 HA GLN A 78 15.874 3.487 0.651 1.00 0.98 H new ATOM 0 HB2 GLN A 78 18.192 2.829 -0.072 1.00 1.35 H new ATOM 0 HB3 GLN A 78 16.962 1.610 -0.342 1.00 1.35 H new ATOM 0 HG2 GLN A 78 16.804 2.296 -2.721 1.00 2.07 H new ATOM 0 HG3 GLN A 78 18.035 3.513 -2.452 1.00 2.07 H new ATOM 0 HE21 GLN A 78 17.362 0.067 -2.725 1.00 3.30 H new ATOM 0 HE22 GLN A 78 19.043 -0.451 -2.893 1.00 3.30 H new ATOM 1061 N PHE A 79 16.269 5.744 -1.505 1.00 0.98 N ATOM 1062 CA PHE A 79 16.838 7.004 -1.971 1.00 1.19 C ATOM 1063 C PHE A 79 16.516 8.191 -1.058 1.00 1.20 C ATOM 1064 O PHE A 79 16.365 9.318 -1.532 1.00 1.54 O ATOM 1065 CB PHE A 79 16.331 7.294 -3.381 1.00 1.32 C ATOM 1066 CG PHE A 79 16.895 6.379 -4.429 1.00 1.57 C ATOM 1067 CD1 PHE A 79 16.310 5.152 -4.690 1.00 2.02 C ATOM 1068 CD2 PHE A 79 18.017 6.748 -5.153 1.00 1.82 C ATOM 1069 CE1 PHE A 79 16.830 4.309 -5.653 1.00 2.64 C ATOM 1070 CE2 PHE A 79 18.543 5.911 -6.118 1.00 2.25 C ATOM 1071 CZ PHE A 79 17.948 4.689 -6.369 1.00 2.68 C ATOM 0 H PHE A 79 15.442 5.453 -2.027 1.00 0.98 H new ATOM 0 HA PHE A 79 17.922 6.886 -1.961 1.00 1.19 H new ATOM 0 HB2 PHE A 79 15.244 7.214 -3.390 1.00 1.32 H new ATOM 0 HB3 PHE A 79 16.577 8.324 -3.641 1.00 1.32 H new ATOM 0 HD1 PHE A 79 15.435 4.850 -4.133 1.00 2.02 H new ATOM 0 HD2 PHE A 79 18.486 7.702 -4.961 1.00 1.82 H new ATOM 0 HE1 PHE A 79 16.363 3.354 -5.846 1.00 2.64 H new ATOM 0 HE2 PHE A 79 19.418 6.211 -6.676 1.00 2.25 H new ATOM 0 HZ PHE A 79 18.356 4.033 -7.123 1.00 2.68 H new ATOM 1081 N GLY A 80 16.398 7.950 0.238 1.00 1.10 N ATOM 1082 CA GLY A 80 16.089 9.030 1.151 1.00 1.22 C ATOM 1083 C GLY A 80 16.933 9.001 2.409 1.00 1.24 C ATOM 1084 O GLY A 80 17.650 9.956 2.704 1.00 1.98 O ATOM 0 H GLY A 80 16.510 7.034 0.672 1.00 1.10 H new ATOM 0 HA2 GLY A 80 16.238 9.982 0.642 1.00 1.22 H new ATOM 0 HA3 GLY A 80 15.035 8.976 1.425 1.00 1.22 H new ATOM 1088 N GLY A 81 16.862 7.898 3.133 1.00 1.18 N ATOM 1089 CA GLY A 81 17.517 7.793 4.420 1.00 1.21 C ATOM 1090 C GLY A 81 16.512 7.748 5.545 1.00 1.14 C ATOM 1091 O GLY A 81 16.738 8.286 6.627 1.00 1.49 O ATOM 0 H GLY A 81 16.355 7.060 2.848 1.00 1.18 H new ATOM 0 HA2 GLY A 81 18.134 6.895 4.444 1.00 1.21 H new ATOM 0 HA3 GLY A 81 18.186 8.642 4.561 1.00 1.21 H new ATOM 1095 N GLN A 82 15.402 7.081 5.279 1.00 0.86 N ATOM 1096 CA GLN A 82 14.304 7.004 6.225 1.00 0.82 C ATOM 1097 C GLN A 82 13.441 5.777 5.964 1.00 0.77 C ATOM 1098 O GLN A 82 12.439 5.590 6.638 1.00 0.91 O ATOM 1099 CB GLN A 82 13.412 8.263 6.149 1.00 0.80 C ATOM 1100 CG GLN A 82 12.619 8.431 4.849 1.00 0.75 C ATOM 1101 CD GLN A 82 13.467 8.529 3.598 1.00 1.09 C ATOM 1102 OE1 GLN A 82 13.883 9.609 3.200 1.00 1.74 O ATOM 1103 NE2 GLN A 82 13.688 7.401 2.941 1.00 1.14 N ATOM 0 H GLN A 82 15.238 6.580 4.406 1.00 0.86 H new ATOM 0 HA GLN A 82 14.746 6.933 7.219 1.00 0.82 H new ATOM 0 HB2 GLN A 82 12.710 8.240 6.982 1.00 0.80 H new ATOM 0 HB3 GLN A 82 14.042 9.142 6.286 1.00 0.80 H new ATOM 0 HG2 GLN A 82 11.937 7.587 4.744 1.00 0.75 H new ATOM 0 HG3 GLN A 82 12.006 9.329 4.927 1.00 0.75 H new ATOM 0 HE21 GLN A 82 13.325 6.520 3.304 1.00 1.14 H new ATOM 0 HE22 GLN A 82 14.221 7.413 2.072 1.00 1.14 H new ATOM 1112 N GLU A 83 13.877 4.899 5.058 1.00 0.75 N ATOM 1113 CA GLU A 83 12.977 3.908 4.455 1.00 0.74 C ATOM 1114 C GLU A 83 12.331 3.027 5.520 1.00 0.72 C ATOM 1115 O GLU A 83 12.928 2.729 6.557 1.00 0.88 O ATOM 1116 CB GLU A 83 13.710 2.994 3.457 1.00 0.87 C ATOM 1117 CG GLU A 83 14.530 3.697 2.382 1.00 1.16 C ATOM 1118 CD GLU A 83 15.788 4.330 2.919 1.00 2.33 C ATOM 1119 OE1 GLU A 83 16.768 3.603 3.170 1.00 3.07 O ATOM 1120 OE2 GLU A 83 15.798 5.557 3.089 1.00 2.83 O ATOM 0 H GLU A 83 14.840 4.852 4.726 1.00 0.75 H new ATOM 0 HA GLU A 83 12.213 4.478 3.927 1.00 0.74 H new ATOM 0 HB2 GLU A 83 14.373 2.335 4.018 1.00 0.87 H new ATOM 0 HB3 GLU A 83 12.972 2.360 2.966 1.00 0.87 H new ATOM 0 HG2 GLU A 83 14.794 2.978 1.607 1.00 1.16 H new ATOM 0 HG3 GLU A 83 13.917 4.465 1.909 1.00 1.16 H new ATOM 1127 N PRO A 84 11.096 2.593 5.257 1.00 0.63 N ATOM 1128 CA PRO A 84 10.270 1.872 6.222 1.00 0.75 C ATOM 1129 C PRO A 84 10.665 0.391 6.309 1.00 1.00 C ATOM 1130 O PRO A 84 10.379 -0.402 5.409 1.00 1.75 O ATOM 1131 CB PRO A 84 8.879 2.054 5.615 1.00 1.02 C ATOM 1132 CG PRO A 84 9.111 1.990 4.165 1.00 0.72 C ATOM 1133 CD PRO A 84 10.403 2.731 3.953 1.00 0.61 C ATOM 0 HA PRO A 84 10.359 2.232 7.247 1.00 0.75 H new ATOM 0 HB2 PRO A 84 8.195 1.272 5.944 1.00 1.02 H new ATOM 0 HB3 PRO A 84 8.438 3.007 5.907 1.00 1.02 H new ATOM 0 HG2 PRO A 84 9.185 0.958 3.821 1.00 0.72 H new ATOM 0 HG3 PRO A 84 8.294 2.453 3.612 1.00 0.72 H new ATOM 0 HD2 PRO A 84 10.986 2.298 3.140 1.00 0.61 H new ATOM 0 HD3 PRO A 84 10.230 3.777 3.699 1.00 0.61 H new ATOM 1141 N GLY A 85 11.386 0.030 7.362 1.00 1.45 N ATOM 1142 CA GLY A 85 11.725 -1.363 7.584 1.00 1.82 C ATOM 1143 C GLY A 85 12.989 -1.782 6.858 1.00 1.61 C ATOM 1144 O GLY A 85 13.964 -2.199 7.483 1.00 2.20 O ATOM 0 H GLY A 85 11.742 0.676 8.066 1.00 1.45 H new ATOM 0 HA2 GLY A 85 11.851 -1.536 8.653 1.00 1.82 H new ATOM 0 HA3 GLY A 85 10.897 -1.991 7.255 1.00 1.82 H new ATOM 1148 N ASN A 86 12.989 -1.650 5.537 1.00 1.49 N ATOM 1149 CA ASN A 86 14.127 -2.080 4.720 1.00 2.04 C ATOM 1150 C ASN A 86 15.231 -1.039 4.699 1.00 1.94 C ATOM 1151 O ASN A 86 16.080 -1.052 3.810 1.00 2.70 O ATOM 1152 CB ASN A 86 13.700 -2.379 3.286 1.00 2.78 C ATOM 1153 CG ASN A 86 13.047 -3.733 3.137 1.00 3.58 C ATOM 1154 OD1 ASN A 86 13.167 -4.315 1.958 1.00 4.07 O flip ATOM 1155 ND2 ASN A 86 12.433 -4.249 4.066 1.00 4.20 N flip ATOM 0 H ASN A 86 12.216 -1.249 5.005 1.00 1.49 H new ATOM 0 HA ASN A 86 14.509 -2.991 5.181 1.00 2.04 H new ATOM 0 HB2 ASN A 86 13.006 -1.608 2.951 1.00 2.78 H new ATOM 0 HB3 ASN A 86 14.572 -2.328 2.634 1.00 2.78 H new ATOM 0 HD21 ASN A 86 12.363 -3.766 4.962 1.00 4.20 H new ATOM 0 HD22 ASN A 86 11.992 -5.161 3.942 1.00 4.20 H new ATOM 1162 N GLU A 87 15.225 -0.161 5.688 1.00 1.52 N ATOM 1163 CA GLU A 87 16.236 0.877 5.826 1.00 1.46 C ATOM 1164 C GLU A 87 17.644 0.280 5.858 1.00 1.60 C ATOM 1165 O GLU A 87 18.612 0.929 5.466 1.00 2.15 O ATOM 1166 CB GLU A 87 15.951 1.673 7.100 1.00 1.61 C ATOM 1167 CG GLU A 87 15.690 0.786 8.311 1.00 2.19 C ATOM 1168 CD GLU A 87 14.752 1.419 9.314 1.00 2.58 C ATOM 1169 OE1 GLU A 87 13.528 1.221 9.197 1.00 2.84 O ATOM 1170 OE2 GLU A 87 15.238 2.122 10.232 1.00 3.02 O ATOM 0 H GLU A 87 14.516 -0.147 6.421 1.00 1.52 H new ATOM 0 HA GLU A 87 16.191 1.540 4.962 1.00 1.46 H new ATOM 0 HB2 GLU A 87 16.798 2.326 7.311 1.00 1.61 H new ATOM 0 HB3 GLU A 87 15.086 2.316 6.934 1.00 1.61 H new ATOM 0 HG2 GLU A 87 15.269 -0.162 7.976 1.00 2.19 H new ATOM 0 HG3 GLU A 87 16.637 0.560 8.800 1.00 2.19 H new ATOM 1177 N GLU A 88 17.745 -0.966 6.309 1.00 1.57 N ATOM 1178 CA GLU A 88 19.025 -1.661 6.369 1.00 1.77 C ATOM 1179 C GLU A 88 19.081 -2.814 5.365 1.00 1.62 C ATOM 1180 O GLU A 88 20.107 -3.478 5.226 1.00 1.62 O ATOM 1181 CB GLU A 88 19.258 -2.194 7.784 1.00 2.18 C ATOM 1182 CG GLU A 88 19.355 -1.100 8.832 1.00 2.68 C ATOM 1183 CD GLU A 88 20.502 -0.156 8.561 1.00 3.33 C ATOM 1184 OE1 GLU A 88 21.664 -0.554 8.782 1.00 3.92 O ATOM 1185 OE2 GLU A 88 20.255 0.979 8.106 1.00 3.66 O ATOM 0 H GLU A 88 16.952 -1.517 6.639 1.00 1.57 H new ATOM 0 HA GLU A 88 19.809 -0.950 6.110 1.00 1.77 H new ATOM 0 HB2 GLU A 88 18.444 -2.869 8.049 1.00 2.18 H new ATOM 0 HB3 GLU A 88 20.176 -2.781 7.796 1.00 2.18 H new ATOM 0 HG2 GLU A 88 18.421 -0.538 8.857 1.00 2.68 H new ATOM 0 HG3 GLU A 88 19.482 -1.551 9.816 1.00 2.68 H new ATOM 1192 N GLU A 89 17.977 -3.053 4.674 1.00 1.62 N ATOM 1193 CA GLU A 89 17.872 -4.204 3.787 1.00 1.59 C ATOM 1194 C GLU A 89 18.263 -3.846 2.352 1.00 1.49 C ATOM 1195 O GLU A 89 19.238 -4.362 1.813 1.00 1.59 O ATOM 1196 CB GLU A 89 16.441 -4.744 3.811 1.00 1.70 C ATOM 1197 CG GLU A 89 16.313 -6.189 3.359 1.00 1.75 C ATOM 1198 CD GLU A 89 16.790 -7.164 4.417 1.00 2.11 C ATOM 1199 OE1 GLU A 89 15.984 -7.558 5.283 1.00 2.65 O ATOM 1200 OE2 GLU A 89 17.979 -7.552 4.378 1.00 2.45 O ATOM 0 H GLU A 89 17.142 -2.468 4.709 1.00 1.62 H new ATOM 0 HA GLU A 89 18.563 -4.967 4.144 1.00 1.59 H new ATOM 0 HB2 GLU A 89 16.048 -4.656 4.824 1.00 1.70 H new ATOM 0 HB3 GLU A 89 15.818 -4.119 3.172 1.00 1.70 H new ATOM 0 HG2 GLU A 89 15.272 -6.401 3.115 1.00 1.75 H new ATOM 0 HG3 GLU A 89 16.890 -6.335 2.446 1.00 1.75 H new ATOM 1207 N ILE A 90 17.519 -2.916 1.763 1.00 1.43 N ATOM 1208 CA ILE A 90 17.597 -2.647 0.324 1.00 1.39 C ATOM 1209 C ILE A 90 18.871 -1.913 -0.080 1.00 1.49 C ATOM 1210 O ILE A 90 19.284 -1.971 -1.236 1.00 1.57 O ATOM 1211 CB ILE A 90 16.388 -1.820 -0.150 1.00 1.45 C ATOM 1212 CG1 ILE A 90 16.186 -0.594 0.746 1.00 1.74 C ATOM 1213 CG2 ILE A 90 15.137 -2.678 -0.182 1.00 1.76 C ATOM 1214 CD1 ILE A 90 14.934 0.199 0.430 1.00 2.15 C ATOM 0 H ILE A 90 16.849 -2.330 2.261 1.00 1.43 H new ATOM 0 HA ILE A 90 17.600 -3.626 -0.155 1.00 1.39 H new ATOM 0 HB ILE A 90 16.587 -1.469 -1.163 1.00 1.45 H new ATOM 0 HG12 ILE A 90 16.145 -0.919 1.786 1.00 1.74 H new ATOM 0 HG13 ILE A 90 17.052 0.060 0.650 1.00 1.74 H new ATOM 0 HG21 ILE A 90 14.292 -2.077 -0.519 1.00 1.76 H new ATOM 0 HG22 ILE A 90 15.286 -3.512 -0.867 1.00 1.76 H new ATOM 0 HG23 ILE A 90 14.933 -3.062 0.818 1.00 1.76 H new ATOM 0 HD11 ILE A 90 14.862 1.050 1.107 1.00 2.15 H new ATOM 0 HD12 ILE A 90 14.980 0.556 -0.599 1.00 2.15 H new ATOM 0 HD13 ILE A 90 14.059 -0.438 0.554 1.00 2.15 H new ATOM 1226 N LYS A 91 19.480 -1.210 0.862 1.00 1.71 N ATOM 1227 CA LYS A 91 20.653 -0.399 0.559 1.00 1.89 C ATOM 1228 C LYS A 91 21.889 -1.264 0.311 1.00 1.98 C ATOM 1229 O LYS A 91 22.778 -0.877 -0.445 1.00 2.17 O ATOM 1230 CB LYS A 91 20.928 0.579 1.698 1.00 2.00 C ATOM 1231 CG LYS A 91 21.198 -0.104 3.024 1.00 2.10 C ATOM 1232 CD LYS A 91 21.574 0.896 4.097 1.00 2.33 C ATOM 1233 CE LYS A 91 22.128 0.202 5.326 1.00 2.39 C ATOM 1234 NZ LYS A 91 22.489 1.168 6.395 1.00 2.79 N ATOM 0 H LYS A 91 19.185 -1.183 1.838 1.00 1.71 H new ATOM 0 HA LYS A 91 20.441 0.156 -0.355 1.00 1.89 H new ATOM 0 HB2 LYS A 91 21.785 1.199 1.436 1.00 2.00 H new ATOM 0 HB3 LYS A 91 20.073 1.246 1.809 1.00 2.00 H new ATOM 0 HG2 LYS A 91 20.313 -0.658 3.336 1.00 2.10 H new ATOM 0 HG3 LYS A 91 22.002 -0.830 2.904 1.00 2.10 H new ATOM 0 HD2 LYS A 91 22.315 1.592 3.705 1.00 2.33 H new ATOM 0 HD3 LYS A 91 20.698 1.484 4.372 1.00 2.33 H new ATOM 0 HE2 LYS A 91 21.389 -0.503 5.708 1.00 2.39 H new ATOM 0 HE3 LYS A 91 23.008 -0.378 5.049 1.00 2.39 H new ATOM 0 HZ1 LYS A 91 23.219 0.751 7.007 1.00 2.79 H new ATOM 0 HZ2 LYS A 91 22.855 2.041 5.965 1.00 2.79 H new ATOM 0 HZ3 LYS A 91 21.646 1.389 6.963 1.00 2.79 H new ATOM 1248 N GLU A 92 21.941 -2.433 0.945 1.00 2.07 N ATOM 1249 CA GLU A 92 23.111 -3.296 0.831 1.00 2.27 C ATOM 1250 C GLU A 92 22.774 -4.621 0.145 1.00 2.10 C ATOM 1251 O GLU A 92 23.648 -5.253 -0.451 1.00 2.26 O ATOM 1252 CB GLU A 92 23.758 -3.531 2.204 1.00 2.54 C ATOM 1253 CG GLU A 92 22.791 -3.973 3.291 1.00 2.47 C ATOM 1254 CD GLU A 92 23.474 -4.145 4.637 1.00 2.96 C ATOM 1255 OE1 GLU A 92 23.546 -3.161 5.404 1.00 3.20 O ATOM 1256 OE2 GLU A 92 23.932 -5.269 4.944 1.00 3.29 O ATOM 0 H GLU A 92 21.195 -2.800 1.536 1.00 2.07 H new ATOM 0 HA GLU A 92 23.836 -2.781 0.200 1.00 2.27 H new ATOM 0 HB2 GLU A 92 24.537 -4.286 2.100 1.00 2.54 H new ATOM 0 HB3 GLU A 92 24.247 -2.611 2.523 1.00 2.54 H new ATOM 0 HG2 GLU A 92 21.991 -3.238 3.383 1.00 2.47 H new ATOM 0 HG3 GLU A 92 22.326 -4.915 2.999 1.00 2.47 H new ATOM 1263 N PHE A 93 21.516 -5.036 0.213 1.00 1.86 N ATOM 1264 CA PHE A 93 21.080 -6.243 -0.483 1.00 1.75 C ATOM 1265 C PHE A 93 20.376 -5.874 -1.774 1.00 1.59 C ATOM 1266 O PHE A 93 19.896 -4.753 -1.931 1.00 1.69 O ATOM 1267 CB PHE A 93 20.129 -7.074 0.378 1.00 1.73 C ATOM 1268 CG PHE A 93 20.778 -7.689 1.585 1.00 2.09 C ATOM 1269 CD1 PHE A 93 21.394 -8.925 1.506 1.00 2.34 C ATOM 1270 CD2 PHE A 93 20.774 -7.022 2.800 1.00 2.65 C ATOM 1271 CE1 PHE A 93 21.991 -9.486 2.616 1.00 2.87 C ATOM 1272 CE2 PHE A 93 21.370 -7.577 3.914 1.00 3.40 C ATOM 1273 CZ PHE A 93 21.978 -8.839 3.809 1.00 3.42 C ATOM 0 H PHE A 93 20.783 -4.560 0.739 1.00 1.86 H new ATOM 0 HA PHE A 93 21.969 -6.837 -0.696 1.00 1.75 H new ATOM 0 HB2 PHE A 93 19.304 -6.441 0.705 1.00 1.73 H new ATOM 0 HB3 PHE A 93 19.699 -7.867 -0.235 1.00 1.73 H new ATOM 0 HD1 PHE A 93 21.408 -9.456 0.566 1.00 2.34 H new ATOM 0 HD2 PHE A 93 20.298 -6.055 2.876 1.00 2.65 H new ATOM 0 HE1 PHE A 93 22.473 -10.449 2.535 1.00 2.87 H new ATOM 0 HE2 PHE A 93 21.369 -7.047 4.855 1.00 3.40 H new ATOM 0 HZ PHE A 93 22.434 -9.294 4.676 1.00 3.42 H new ATOM 1283 N VAL A 94 20.315 -6.819 -2.695 1.00 1.62 N ATOM 1284 CA VAL A 94 19.614 -6.601 -3.941 1.00 1.68 C ATOM 1285 C VAL A 94 18.115 -6.699 -3.723 1.00 1.54 C ATOM 1286 O VAL A 94 17.589 -7.779 -3.462 1.00 1.74 O ATOM 1287 CB VAL A 94 20.045 -7.619 -5.017 1.00 2.11 C ATOM 1288 CG1 VAL A 94 19.207 -7.458 -6.273 1.00 2.63 C ATOM 1289 CG2 VAL A 94 21.525 -7.466 -5.337 1.00 2.56 C ATOM 0 H VAL A 94 20.742 -7.741 -2.601 1.00 1.62 H new ATOM 0 HA VAL A 94 19.869 -5.601 -4.292 1.00 1.68 H new ATOM 0 HB VAL A 94 19.882 -8.622 -4.623 1.00 2.11 H new ATOM 0 HG11 VAL A 94 19.527 -8.185 -7.019 1.00 2.63 H new ATOM 0 HG12 VAL A 94 18.157 -7.622 -6.033 1.00 2.63 H new ATOM 0 HG13 VAL A 94 19.335 -6.451 -6.669 1.00 2.63 H new ATOM 0 HG21 VAL A 94 21.810 -8.193 -6.098 1.00 2.56 H new ATOM 0 HG22 VAL A 94 21.715 -6.459 -5.708 1.00 2.56 H new ATOM 0 HG23 VAL A 94 22.112 -7.637 -4.435 1.00 2.56 H new ATOM 1299 N CYS A 95 17.434 -5.566 -3.821 1.00 1.47 N ATOM 1300 CA CYS A 95 15.986 -5.527 -3.710 1.00 1.46 C ATOM 1301 C CYS A 95 15.432 -4.333 -4.485 1.00 1.37 C ATOM 1302 O CYS A 95 15.769 -3.182 -4.193 1.00 1.52 O ATOM 1303 CB CYS A 95 15.559 -5.416 -2.241 1.00 1.77 C ATOM 1304 SG CYS A 95 16.153 -6.739 -1.158 1.00 2.83 S ATOM 0 H CYS A 95 17.867 -4.656 -3.978 1.00 1.47 H new ATOM 0 HA CYS A 95 15.588 -6.452 -4.128 1.00 1.46 H new ATOM 0 HB2 CYS A 95 15.912 -4.462 -1.849 1.00 1.77 H new ATOM 0 HB3 CYS A 95 14.470 -5.395 -2.197 1.00 1.77 H new ATOM 0 HG CYS A 95 16.815 -7.610 -1.860 1.00 2.83 H new ATOM 1310 N THR A 96 14.575 -4.602 -5.461 1.00 1.52 N ATOM 1311 CA THR A 96 13.915 -3.546 -6.215 1.00 1.59 C ATOM 1312 C THR A 96 12.497 -3.959 -6.594 1.00 1.08 C ATOM 1313 O THR A 96 12.300 -4.982 -7.250 1.00 1.31 O ATOM 1314 CB THR A 96 14.693 -3.172 -7.497 1.00 2.27 C ATOM 1315 OG1 THR A 96 15.151 -4.353 -8.169 1.00 2.76 O ATOM 1316 CG2 THR A 96 15.871 -2.258 -7.183 1.00 2.98 C ATOM 0 H THR A 96 14.320 -5.547 -5.749 1.00 1.52 H new ATOM 0 HA THR A 96 13.884 -2.671 -5.565 1.00 1.59 H new ATOM 0 HB THR A 96 14.011 -2.632 -8.154 1.00 2.27 H new ATOM 0 HG1 THR A 96 14.445 -5.033 -8.154 1.00 2.76 H new ATOM 0 HG21 THR A 96 16.398 -2.013 -8.105 1.00 2.98 H new ATOM 0 HG22 THR A 96 15.507 -1.341 -6.719 1.00 2.98 H new ATOM 0 HG23 THR A 96 16.553 -2.765 -6.500 1.00 2.98 H new ATOM 1324 N LYS A 97 11.517 -3.171 -6.132 1.00 1.14 N ATOM 1325 CA LYS A 97 10.094 -3.366 -6.461 1.00 1.11 C ATOM 1326 C LYS A 97 9.481 -4.595 -5.786 1.00 1.04 C ATOM 1327 O LYS A 97 8.279 -4.627 -5.567 1.00 1.76 O ATOM 1328 CB LYS A 97 9.904 -3.485 -7.965 1.00 1.47 C ATOM 1329 CG LYS A 97 10.209 -2.210 -8.738 1.00 1.47 C ATOM 1330 CD LYS A 97 10.072 -2.425 -10.240 1.00 1.89 C ATOM 1331 CE LYS A 97 10.364 -1.150 -11.022 1.00 2.34 C ATOM 1332 NZ LYS A 97 10.356 -1.379 -12.496 1.00 2.72 N ATOM 0 H LYS A 97 11.687 -2.376 -5.516 1.00 1.14 H new ATOM 0 HA LYS A 97 9.577 -2.486 -6.079 1.00 1.11 H new ATOM 0 HB2 LYS A 97 10.545 -4.284 -8.338 1.00 1.47 H new ATOM 0 HB3 LYS A 97 8.875 -3.781 -8.167 1.00 1.47 H new ATOM 0 HG2 LYS A 97 9.531 -1.418 -8.419 1.00 1.47 H new ATOM 0 HG3 LYS A 97 11.221 -1.876 -8.507 1.00 1.47 H new ATOM 0 HD2 LYS A 97 10.756 -3.212 -10.559 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.063 -2.768 -10.468 1.00 1.89 H new ATOM 0 HE2 LYS A 97 9.622 -0.393 -10.770 1.00 2.34 H new ATOM 0 HE3 LYS A 97 11.335 -0.756 -10.722 1.00 2.34 H new ATOM 0 HZ1 LYS A 97 11.301 -1.184 -12.883 1.00 2.72 H new ATOM 0 HZ2 LYS A 97 10.099 -2.367 -12.692 1.00 2.72 H new ATOM 0 HZ3 LYS A 97 9.662 -0.746 -12.942 1.00 2.72 H new ATOM 1346 N PHE A 98 10.315 -5.596 -5.494 1.00 0.89 N ATOM 1347 CA PHE A 98 9.912 -6.894 -4.920 1.00 0.92 C ATOM 1348 C PHE A 98 9.067 -7.711 -5.911 1.00 1.11 C ATOM 1349 O PHE A 98 9.227 -8.927 -5.987 1.00 2.12 O ATOM 1350 CB PHE A 98 9.246 -6.743 -3.524 1.00 1.15 C ATOM 1351 CG PHE A 98 7.736 -6.763 -3.471 1.00 0.75 C ATOM 1352 CD1 PHE A 98 7.040 -7.955 -3.595 1.00 1.02 C ATOM 1353 CD2 PHE A 98 7.015 -5.589 -3.330 1.00 0.96 C ATOM 1354 CE1 PHE A 98 5.661 -7.976 -3.567 1.00 0.94 C ATOM 1355 CE2 PHE A 98 5.635 -5.606 -3.305 1.00 0.87 C ATOM 1356 CZ PHE A 98 4.961 -6.801 -3.325 1.00 0.45 C ATOM 0 H PHE A 98 11.320 -5.529 -5.653 1.00 0.89 H new ATOM 0 HA PHE A 98 10.822 -7.469 -4.745 1.00 0.92 H new ATOM 0 HB2 PHE A 98 9.617 -7.544 -2.885 1.00 1.15 H new ATOM 0 HB3 PHE A 98 9.586 -5.804 -3.088 1.00 1.15 H new ATOM 0 HD1 PHE A 98 7.585 -8.880 -3.715 1.00 1.02 H new ATOM 0 HD2 PHE A 98 7.539 -4.649 -3.239 1.00 0.96 H new ATOM 0 HE1 PHE A 98 5.129 -8.901 -3.732 1.00 0.94 H new ATOM 0 HE2 PHE A 98 5.085 -4.677 -3.270 1.00 0.87 H new ATOM 0 HZ PHE A 98 3.895 -6.828 -3.154 1.00 0.45 H new ATOM 1366 N LYS A 99 8.210 -7.035 -6.683 1.00 0.80 N ATOM 1367 CA LYS A 99 7.412 -7.655 -7.752 1.00 0.78 C ATOM 1368 C LYS A 99 6.384 -8.633 -7.193 1.00 0.79 C ATOM 1369 O LYS A 99 6.685 -9.439 -6.320 1.00 1.43 O ATOM 1370 CB LYS A 99 8.298 -8.359 -8.791 1.00 1.02 C ATOM 1371 CG LYS A 99 9.071 -7.411 -9.702 1.00 1.34 C ATOM 1372 CD LYS A 99 10.331 -6.871 -9.041 1.00 1.63 C ATOM 1373 CE LYS A 99 11.366 -7.965 -8.804 1.00 2.05 C ATOM 1374 NZ LYS A 99 11.804 -8.607 -10.073 1.00 2.69 N ATOM 0 H LYS A 99 8.047 -6.033 -6.585 1.00 0.80 H new ATOM 0 HA LYS A 99 6.880 -6.845 -8.250 1.00 0.78 H new ATOM 0 HB2 LYS A 99 9.007 -9.003 -8.270 1.00 1.02 H new ATOM 0 HB3 LYS A 99 7.673 -9.006 -9.406 1.00 1.02 H new ATOM 0 HG2 LYS A 99 9.341 -7.933 -10.620 1.00 1.34 H new ATOM 0 HG3 LYS A 99 8.427 -6.578 -9.986 1.00 1.34 H new ATOM 0 HD2 LYS A 99 10.764 -6.092 -9.669 1.00 1.63 H new ATOM 0 HD3 LYS A 99 10.071 -6.406 -8.090 1.00 1.63 H new ATOM 0 HE2 LYS A 99 12.232 -7.540 -8.296 1.00 2.05 H new ATOM 0 HE3 LYS A 99 10.947 -8.722 -8.141 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 12.843 -8.643 -10.103 1.00 2.69 H new ATOM 0 HZ2 LYS A 99 11.422 -9.573 -10.123 1.00 2.69 H new ATOM 0 HZ3 LYS A 99 11.453 -8.054 -10.881 1.00 2.69 H new ATOM 1388 N ALA A 100 5.166 -8.580 -7.711 1.00 0.51 N ATOM 1389 CA ALA A 100 4.087 -9.384 -7.151 1.00 0.43 C ATOM 1390 C ALA A 100 2.917 -9.526 -8.108 1.00 0.40 C ATOM 1391 O ALA A 100 2.933 -8.992 -9.217 1.00 0.55 O ATOM 1392 CB ALA A 100 3.607 -8.760 -5.864 1.00 0.43 C ATOM 0 H ALA A 100 4.901 -7.999 -8.506 1.00 0.51 H new ATOM 0 HA ALA A 100 4.486 -10.381 -6.966 1.00 0.43 H new ATOM 0 HB1 ALA A 100 2.800 -9.362 -5.446 1.00 0.43 H new ATOM 0 HB2 ALA A 100 4.431 -8.714 -5.152 1.00 0.43 H new ATOM 0 HB3 ALA A 100 3.242 -7.752 -6.062 1.00 0.43 H new ATOM 1398 N GLU A 101 1.890 -10.241 -7.651 1.00 0.34 N ATOM 1399 CA GLU A 101 0.689 -10.463 -8.442 1.00 0.40 C ATOM 1400 C GLU A 101 -0.384 -9.432 -8.099 1.00 0.43 C ATOM 1401 O GLU A 101 -1.581 -9.713 -8.171 1.00 0.67 O ATOM 1402 CB GLU A 101 0.149 -11.875 -8.210 1.00 0.50 C ATOM 1403 CG GLU A 101 1.120 -12.975 -8.611 1.00 0.67 C ATOM 1404 CD GLU A 101 1.478 -12.932 -10.083 1.00 1.24 C ATOM 1405 OE1 GLU A 101 0.597 -13.208 -10.924 1.00 1.57 O ATOM 1406 OE2 GLU A 101 2.640 -12.614 -10.412 1.00 1.99 O ATOM 0 H GLU A 101 1.870 -10.678 -6.729 1.00 0.34 H new ATOM 0 HA GLU A 101 0.952 -10.354 -9.494 1.00 0.40 H new ATOM 0 HB2 GLU A 101 -0.101 -11.990 -7.155 1.00 0.50 H new ATOM 0 HB3 GLU A 101 -0.777 -11.997 -8.772 1.00 0.50 H new ATOM 0 HG2 GLU A 101 2.030 -12.885 -8.017 1.00 0.67 H new ATOM 0 HG3 GLU A 101 0.681 -13.945 -8.376 1.00 0.67 H new ATOM 1413 N PHE A 102 0.064 -8.248 -7.711 1.00 0.38 N ATOM 1414 CA PHE A 102 -0.802 -7.136 -7.389 1.00 0.40 C ATOM 1415 C PHE A 102 -0.062 -5.841 -7.715 1.00 0.45 C ATOM 1416 O PHE A 102 1.163 -5.839 -7.797 1.00 0.80 O ATOM 1417 CB PHE A 102 -1.248 -7.188 -5.922 1.00 0.84 C ATOM 1418 CG PHE A 102 -0.152 -7.376 -4.941 1.00 0.45 C ATOM 1419 CD1 PHE A 102 0.259 -8.638 -4.589 1.00 0.52 C ATOM 1420 CD2 PHE A 102 0.469 -6.283 -4.380 1.00 0.62 C ATOM 1421 CE1 PHE A 102 1.285 -8.813 -3.686 1.00 0.59 C ATOM 1422 CE2 PHE A 102 1.491 -6.446 -3.478 1.00 0.58 C ATOM 1423 CZ PHE A 102 1.870 -7.741 -3.100 1.00 0.44 C ATOM 0 H PHE A 102 1.056 -8.034 -7.611 1.00 0.38 H new ATOM 0 HA PHE A 102 -1.712 -7.188 -7.986 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -1.773 -6.263 -5.684 1.00 0.84 H new ATOM 0 HB3 PHE A 102 -1.964 -8.001 -5.804 1.00 0.84 H new ATOM 0 HD1 PHE A 102 -0.226 -9.500 -5.023 1.00 0.52 H new ATOM 0 HD2 PHE A 102 0.149 -5.288 -4.652 1.00 0.62 H new ATOM 0 HE1 PHE A 102 1.624 -9.809 -3.444 1.00 0.59 H new ATOM 0 HE2 PHE A 102 1.997 -5.586 -3.065 1.00 0.58 H new ATOM 0 HZ PHE A 102 2.627 -7.884 -2.343 1.00 0.44 H new ATOM 1433 N PRO A 103 -0.809 -4.753 -7.942 1.00 0.33 N ATOM 1434 CA PRO A 103 -0.286 -3.455 -8.422 1.00 0.39 C ATOM 1435 C PRO A 103 0.893 -2.880 -7.647 1.00 0.41 C ATOM 1436 O PRO A 103 0.716 -2.027 -6.791 1.00 0.62 O ATOM 1437 CB PRO A 103 -1.502 -2.541 -8.282 1.00 0.42 C ATOM 1438 CG PRO A 103 -2.646 -3.459 -8.492 1.00 0.58 C ATOM 1439 CD PRO A 103 -2.267 -4.703 -7.764 1.00 0.27 C ATOM 0 HA PRO A 103 0.122 -3.562 -9.427 1.00 0.39 H new ATOM 0 HB2 PRO A 103 -1.540 -2.070 -7.300 1.00 0.42 H new ATOM 0 HB3 PRO A 103 -1.489 -1.739 -9.020 1.00 0.42 H new ATOM 0 HG2 PRO A 103 -3.571 -3.036 -8.100 1.00 0.58 H new ATOM 0 HG3 PRO A 103 -2.809 -3.654 -9.552 1.00 0.58 H new ATOM 0 HD2 PRO A 103 -2.545 -4.656 -6.711 1.00 0.27 H new ATOM 0 HD3 PRO A 103 -2.756 -5.582 -8.184 1.00 0.27 H new ATOM 1447 N ILE A 104 2.100 -3.308 -7.976 1.00 0.35 N ATOM 1448 CA ILE A 104 3.277 -2.656 -7.439 1.00 0.35 C ATOM 1449 C ILE A 104 3.612 -1.481 -8.332 1.00 0.33 C ATOM 1450 O ILE A 104 3.825 -1.652 -9.533 1.00 0.44 O ATOM 1451 CB ILE A 104 4.520 -3.573 -7.348 1.00 0.41 C ATOM 1452 CG1 ILE A 104 4.204 -4.875 -6.606 1.00 0.52 C ATOM 1453 CG2 ILE A 104 5.660 -2.824 -6.657 1.00 0.45 C ATOM 1454 CD1 ILE A 104 3.298 -4.692 -5.422 1.00 1.34 C ATOM 0 H ILE A 104 2.287 -4.091 -8.602 1.00 0.35 H new ATOM 0 HA ILE A 104 3.037 -2.355 -6.419 1.00 0.35 H new ATOM 0 HB ILE A 104 4.824 -3.841 -8.360 1.00 0.41 H new ATOM 0 HG12 ILE A 104 3.741 -5.576 -7.301 1.00 0.52 H new ATOM 0 HG13 ILE A 104 5.137 -5.328 -6.271 1.00 0.52 H new ATOM 0 HG21 ILE A 104 6.535 -3.471 -6.594 1.00 0.45 H new ATOM 0 HG22 ILE A 104 5.910 -1.932 -7.231 1.00 0.45 H new ATOM 0 HG23 ILE A 104 5.349 -2.535 -5.653 1.00 0.45 H new ATOM 0 HD11 ILE A 104 3.120 -5.657 -4.948 1.00 1.34 H new ATOM 0 HD12 ILE A 104 3.767 -4.017 -4.706 1.00 1.34 H new ATOM 0 HD13 ILE A 104 2.349 -4.269 -5.752 1.00 1.34 H new ATOM 1466 N MET A 105 3.622 -0.289 -7.765 1.00 0.29 N ATOM 1467 CA MET A 105 3.969 0.888 -8.537 1.00 0.30 C ATOM 1468 C MET A 105 5.475 0.920 -8.728 1.00 0.27 C ATOM 1469 O MET A 105 6.176 0.007 -8.292 1.00 0.35 O ATOM 1470 CB MET A 105 3.457 2.165 -7.853 1.00 0.43 C ATOM 1471 CG MET A 105 4.480 2.913 -7.011 1.00 1.50 C ATOM 1472 SD MET A 105 5.099 4.411 -7.814 1.00 2.49 S ATOM 1473 CE MET A 105 3.613 5.403 -7.909 1.00 3.03 C ATOM 0 H MET A 105 3.397 -0.112 -6.786 1.00 0.29 H new ATOM 0 HA MET A 105 3.488 0.842 -9.514 1.00 0.30 H new ATOM 0 HB2 MET A 105 3.080 2.841 -8.620 1.00 0.43 H new ATOM 0 HB3 MET A 105 2.612 1.902 -7.217 1.00 0.43 H new ATOM 0 HG2 MET A 105 4.030 3.180 -6.055 1.00 1.50 H new ATOM 0 HG3 MET A 105 5.318 2.251 -6.795 1.00 1.50 H new ATOM 0 HE1 MET A 105 3.696 6.103 -8.740 1.00 3.03 H new ATOM 0 HE2 MET A 105 2.752 4.754 -8.066 1.00 3.03 H new ATOM 0 HE3 MET A 105 3.485 5.957 -6.979 1.00 3.03 H new ATOM 1483 N ALA A 106 5.978 1.951 -9.371 1.00 0.33 N ATOM 1484 CA ALA A 106 7.409 2.019 -9.643 1.00 0.52 C ATOM 1485 C ALA A 106 8.165 2.084 -8.337 1.00 0.66 C ATOM 1486 O ALA A 106 9.062 1.276 -8.084 1.00 1.46 O ATOM 1487 CB ALA A 106 7.749 3.207 -10.512 1.00 0.70 C ATOM 0 H ALA A 106 5.435 2.744 -9.713 1.00 0.33 H new ATOM 0 HA ALA A 106 7.702 1.122 -10.188 1.00 0.52 H new ATOM 0 HB1 ALA A 106 8.823 3.228 -10.696 1.00 0.70 H new ATOM 0 HB2 ALA A 106 7.220 3.126 -11.462 1.00 0.70 H new ATOM 0 HB3 ALA A 106 7.449 4.125 -10.007 1.00 0.70 H new ATOM 1493 N LYS A 107 7.753 3.067 -7.538 1.00 0.40 N ATOM 1494 CA LYS A 107 8.210 3.304 -6.174 1.00 0.36 C ATOM 1495 C LYS A 107 8.220 4.773 -5.931 1.00 0.38 C ATOM 1496 O LYS A 107 8.358 5.575 -6.855 1.00 0.59 O ATOM 1497 CB LYS A 107 9.612 2.769 -5.880 1.00 0.49 C ATOM 1498 CG LYS A 107 10.722 3.511 -6.590 1.00 0.84 C ATOM 1499 CD LYS A 107 12.086 2.935 -6.244 1.00 0.83 C ATOM 1500 CE LYS A 107 12.166 1.453 -6.571 1.00 0.95 C ATOM 1501 NZ LYS A 107 13.474 0.870 -6.177 1.00 1.76 N ATOM 0 H LYS A 107 7.059 3.751 -7.840 1.00 0.40 H new ATOM 0 HA LYS A 107 7.522 2.769 -5.520 1.00 0.36 H new ATOM 0 HB2 LYS A 107 9.788 2.816 -4.805 1.00 0.49 H new ATOM 0 HB3 LYS A 107 9.654 1.717 -6.164 1.00 0.49 H new ATOM 0 HG2 LYS A 107 10.566 3.458 -7.667 1.00 0.84 H new ATOM 0 HG3 LYS A 107 10.690 4.565 -6.315 1.00 0.84 H new ATOM 0 HD2 LYS A 107 12.859 3.472 -6.794 1.00 0.83 H new ATOM 0 HD3 LYS A 107 12.287 3.086 -5.183 1.00 0.83 H new ATOM 0 HE2 LYS A 107 11.363 0.924 -6.058 1.00 0.95 H new ATOM 0 HE3 LYS A 107 12.011 1.308 -7.640 1.00 0.95 H new ATOM 0 HZ1 LYS A 107 13.489 -0.142 -6.416 1.00 1.76 H new ATOM 0 HZ2 LYS A 107 14.239 1.358 -6.686 1.00 1.76 H new ATOM 0 HZ3 LYS A 107 13.611 0.985 -5.153 1.00 1.76 H new ATOM 1515 N ILE A 108 8.022 5.098 -4.692 1.00 0.31 N ATOM 1516 CA ILE A 108 8.203 6.426 -4.198 1.00 0.35 C ATOM 1517 C ILE A 108 8.569 6.329 -2.738 1.00 0.36 C ATOM 1518 O ILE A 108 8.577 5.241 -2.157 1.00 0.42 O ATOM 1519 CB ILE A 108 6.953 7.331 -4.392 1.00 0.48 C ATOM 1520 CG1 ILE A 108 5.652 6.565 -4.139 1.00 0.82 C ATOM 1521 CG2 ILE A 108 6.929 7.926 -5.791 1.00 0.68 C ATOM 1522 CD1 ILE A 108 5.391 6.256 -2.689 1.00 0.64 C ATOM 0 H ILE A 108 7.723 4.432 -3.980 1.00 0.31 H new ATOM 0 HA ILE A 108 8.997 6.902 -4.773 1.00 0.35 H new ATOM 0 HB ILE A 108 7.025 8.135 -3.659 1.00 0.48 H new ATOM 0 HG12 ILE A 108 4.818 7.148 -4.531 1.00 0.82 H new ATOM 0 HG13 ILE A 108 5.679 5.630 -4.699 1.00 0.82 H new ATOM 0 HG21 ILE A 108 6.046 8.555 -5.904 1.00 0.68 H new ATOM 0 HG22 ILE A 108 7.825 8.527 -5.946 1.00 0.68 H new ATOM 0 HG23 ILE A 108 6.899 7.123 -6.527 1.00 0.68 H new ATOM 0 HD11 ILE A 108 4.451 5.712 -2.596 1.00 0.64 H new ATOM 0 HD12 ILE A 108 6.203 5.645 -2.295 1.00 0.64 H new ATOM 0 HD13 ILE A 108 5.330 7.186 -2.124 1.00 0.64 H new ATOM 1534 N ASN A 109 8.877 7.452 -2.164 1.00 0.38 N ATOM 1535 CA ASN A 109 9.256 7.524 -0.768 1.00 0.44 C ATOM 1536 C ASN A 109 8.054 7.353 0.126 1.00 0.47 C ATOM 1537 O ASN A 109 7.420 8.319 0.503 1.00 0.76 O ATOM 1538 CB ASN A 109 9.943 8.851 -0.488 1.00 0.53 C ATOM 1539 CG ASN A 109 10.374 8.988 0.956 1.00 0.98 C ATOM 1540 OD1 ASN A 109 9.685 9.587 1.785 1.00 1.73 O ATOM 1541 ND2 ASN A 109 11.514 8.421 1.273 1.00 1.16 N ATOM 0 H ASN A 109 8.875 8.352 -2.644 1.00 0.38 H new ATOM 0 HA ASN A 109 9.951 6.712 -0.554 1.00 0.44 H new ATOM 0 HB2 ASN A 109 10.815 8.948 -1.135 1.00 0.53 H new ATOM 0 HB3 ASN A 109 9.266 9.667 -0.741 1.00 0.53 H new ATOM 0 HD21 ASN A 109 11.857 8.467 2.232 1.00 1.16 H new ATOM 0 HD22 ASN A 109 12.057 7.934 0.560 1.00 1.16 H new ATOM 1548 N VAL A 110 7.706 6.128 0.454 1.00 0.41 N ATOM 1549 CA VAL A 110 6.716 5.957 1.478 1.00 0.42 C ATOM 1550 C VAL A 110 7.414 5.973 2.815 1.00 0.44 C ATOM 1551 O VAL A 110 7.937 4.969 3.291 1.00 0.48 O ATOM 1552 CB VAL A 110 5.905 4.661 1.310 1.00 0.43 C ATOM 1553 CG1 VAL A 110 4.875 4.813 0.215 1.00 0.60 C ATOM 1554 CG2 VAL A 110 6.808 3.487 0.998 1.00 0.77 C ATOM 0 H VAL A 110 8.079 5.272 0.043 1.00 0.41 H new ATOM 0 HA VAL A 110 5.999 6.774 1.405 1.00 0.42 H new ATOM 0 HB VAL A 110 5.397 4.468 2.255 1.00 0.43 H new ATOM 0 HG11 VAL A 110 4.313 3.885 0.113 1.00 0.60 H new ATOM 0 HG12 VAL A 110 4.193 5.625 0.467 1.00 0.60 H new ATOM 0 HG13 VAL A 110 5.376 5.039 -0.726 1.00 0.60 H new ATOM 0 HG21 VAL A 110 6.206 2.585 0.885 1.00 0.77 H new ATOM 0 HG22 VAL A 110 7.350 3.681 0.072 1.00 0.77 H new ATOM 0 HG23 VAL A 110 7.519 3.349 1.812 1.00 0.77 H new ATOM 1564 N ASN A 111 7.408 7.148 3.397 1.00 0.48 N ATOM 1565 CA ASN A 111 7.986 7.384 4.693 1.00 0.56 C ATOM 1566 C ASN A 111 7.808 8.850 5.019 1.00 0.62 C ATOM 1567 O ASN A 111 7.234 9.603 4.230 1.00 0.67 O ATOM 1568 CB ASN A 111 9.463 6.988 4.761 1.00 0.65 C ATOM 1569 CG ASN A 111 9.805 6.456 6.141 1.00 1.20 C ATOM 1570 OD1 ASN A 111 9.641 5.271 6.417 1.00 1.90 O ATOM 1571 ND2 ASN A 111 10.290 7.323 7.022 1.00 1.72 N ATOM 0 H ASN A 111 6.994 7.979 2.974 1.00 0.48 H new ATOM 0 HA ASN A 111 7.476 6.759 5.426 1.00 0.56 H new ATOM 0 HB2 ASN A 111 9.678 6.229 4.008 1.00 0.65 H new ATOM 0 HB3 ASN A 111 10.088 7.851 4.532 1.00 0.65 H new ATOM 0 HD21 ASN A 111 10.539 7.011 7.961 1.00 1.72 H new ATOM 0 HD22 ASN A 111 10.414 8.301 6.760 1.00 1.72 H new ATOM 1578 N GLY A 112 8.295 9.252 6.167 1.00 0.73 N ATOM 1579 CA GLY A 112 8.050 10.583 6.649 1.00 0.85 C ATOM 1580 C GLY A 112 8.898 11.681 6.027 1.00 0.93 C ATOM 1581 O GLY A 112 8.850 12.812 6.509 1.00 1.47 O ATOM 0 H GLY A 112 8.864 8.673 6.784 1.00 0.73 H new ATOM 0 HA2 GLY A 112 7.000 10.822 6.481 1.00 0.85 H new ATOM 0 HA3 GLY A 112 8.210 10.593 7.727 1.00 0.85 H new ATOM 1585 N GLU A 113 9.666 11.409 4.969 1.00 0.88 N ATOM 1586 CA GLU A 113 10.590 12.439 4.503 1.00 1.23 C ATOM 1587 C GLU A 113 10.162 13.137 3.236 1.00 1.10 C ATOM 1588 O GLU A 113 10.208 14.363 3.149 1.00 1.39 O ATOM 1589 CB GLU A 113 11.983 11.887 4.334 1.00 1.61 C ATOM 1590 CG GLU A 113 12.803 12.140 5.562 1.00 1.83 C ATOM 1591 CD GLU A 113 14.287 12.069 5.320 1.00 2.29 C ATOM 1592 OE1 GLU A 113 14.829 12.974 4.659 1.00 2.65 O ATOM 1593 OE2 GLU A 113 14.909 11.088 5.776 1.00 2.81 O ATOM 0 H GLU A 113 9.669 10.534 4.445 1.00 0.88 H new ATOM 0 HA GLU A 113 10.581 13.195 5.288 1.00 1.23 H new ATOM 0 HB2 GLU A 113 11.934 10.816 4.137 1.00 1.61 H new ATOM 0 HB3 GLU A 113 12.461 12.349 3.470 1.00 1.61 H new ATOM 0 HG2 GLU A 113 12.555 13.125 5.958 1.00 1.83 H new ATOM 0 HG3 GLU A 113 12.532 11.411 6.326 1.00 1.83 H new ATOM 1600 N ASN A 114 9.727 12.386 2.268 1.00 0.79 N ATOM 1601 CA ASN A 114 9.418 12.958 0.985 1.00 0.79 C ATOM 1602 C ASN A 114 8.028 12.539 0.602 1.00 0.79 C ATOM 1603 O ASN A 114 7.264 13.314 0.023 1.00 1.22 O ATOM 1604 CB ASN A 114 10.452 12.469 -0.029 1.00 0.87 C ATOM 1605 CG ASN A 114 10.078 12.728 -1.481 1.00 1.45 C ATOM 1606 OD1 ASN A 114 10.396 11.933 -2.366 1.00 2.06 O ATOM 1607 ND2 ASN A 114 9.433 13.855 -1.747 1.00 2.16 N ATOM 0 H ASN A 114 9.578 11.379 2.338 1.00 0.79 H new ATOM 0 HA ASN A 114 9.456 14.047 1.014 1.00 0.79 H new ATOM 0 HB2 ASN A 114 11.406 12.954 0.180 1.00 0.87 H new ATOM 0 HB3 ASN A 114 10.601 11.398 0.110 1.00 0.87 H new ATOM 0 HD21 ASN A 114 9.185 14.086 -2.709 1.00 2.16 H new ATOM 0 HD22 ASN A 114 9.185 14.491 -0.990 1.00 2.16 H new ATOM 1614 N ALA A 115 7.698 11.323 1.007 1.00 0.59 N ATOM 1615 CA ALA A 115 6.389 10.763 0.794 1.00 0.61 C ATOM 1616 C ALA A 115 5.979 10.859 -0.668 1.00 0.68 C ATOM 1617 O ALA A 115 6.789 11.129 -1.560 1.00 1.26 O ATOM 1618 CB ALA A 115 5.381 11.446 1.697 1.00 0.86 C ATOM 0 H ALA A 115 8.341 10.699 1.495 1.00 0.59 H new ATOM 0 HA ALA A 115 6.419 9.704 1.049 1.00 0.61 H new ATOM 0 HB1 ALA A 115 4.393 11.017 1.530 1.00 0.86 H new ATOM 0 HB2 ALA A 115 5.668 11.301 2.738 1.00 0.86 H new ATOM 0 HB3 ALA A 115 5.356 12.512 1.473 1.00 0.86 H new ATOM 1624 N HIS A 116 4.732 10.575 -0.909 1.00 0.42 N ATOM 1625 CA HIS A 116 4.135 10.783 -2.184 1.00 0.35 C ATOM 1626 C HIS A 116 2.748 11.291 -1.921 1.00 0.29 C ATOM 1627 O HIS A 116 2.084 10.738 -1.066 1.00 0.29 O ATOM 1628 CB HIS A 116 4.134 9.457 -2.962 1.00 0.35 C ATOM 1629 CG HIS A 116 3.179 9.423 -4.100 1.00 0.31 C ATOM 1630 ND1 HIS A 116 1.845 9.462 -3.879 1.00 0.33 N ATOM 1631 CD2 HIS A 116 3.339 9.406 -5.447 1.00 0.31 C ATOM 1632 CE1 HIS A 116 1.208 9.503 -5.007 1.00 0.32 C ATOM 1633 NE2 HIS A 116 2.082 9.463 -5.991 1.00 0.32 N ATOM 0 H HIS A 116 4.097 10.187 -0.211 1.00 0.42 H new ATOM 0 HA HIS A 116 4.680 11.505 -2.793 1.00 0.35 H new ATOM 0 HB2 HIS A 116 5.139 9.268 -3.339 1.00 0.35 H new ATOM 0 HB3 HIS A 116 3.894 8.645 -2.275 1.00 0.35 H new ATOM 0 HD2 HIS A 116 4.274 9.357 -5.986 1.00 0.31 H new ATOM 0 HE1 HIS A 116 0.136 9.561 -5.121 1.00 0.32 H new ATOM 0 HE2 HIS A 116 1.862 9.473 -6.987 1.00 0.32 H new ATOM 1642 N PRO A 117 2.314 12.345 -2.630 1.00 0.31 N ATOM 1643 CA PRO A 117 1.007 12.974 -2.461 1.00 0.31 C ATOM 1644 C PRO A 117 -0.068 12.021 -1.930 1.00 0.26 C ATOM 1645 O PRO A 117 -0.727 12.314 -0.945 1.00 0.27 O ATOM 1646 CB PRO A 117 0.690 13.424 -3.884 1.00 0.37 C ATOM 1647 CG PRO A 117 2.015 13.664 -4.544 1.00 0.40 C ATOM 1648 CD PRO A 117 3.081 13.047 -3.667 1.00 0.38 C ATOM 0 HA PRO A 117 1.022 13.774 -1.721 1.00 0.31 H new ATOM 0 HB2 PRO A 117 0.121 12.662 -4.417 1.00 0.37 H new ATOM 0 HB3 PRO A 117 0.085 14.331 -3.881 1.00 0.37 H new ATOM 0 HG2 PRO A 117 2.033 13.219 -5.539 1.00 0.40 H new ATOM 0 HG3 PRO A 117 2.193 14.732 -4.669 1.00 0.40 H new ATOM 0 HD2 PRO A 117 3.715 12.362 -4.229 1.00 0.38 H new ATOM 0 HD3 PRO A 117 3.735 13.806 -3.237 1.00 0.38 H new ATOM 1656 N LEU A 118 -0.190 10.857 -2.566 1.00 0.24 N ATOM 1657 CA LEU A 118 -1.161 9.843 -2.181 1.00 0.23 C ATOM 1658 C LEU A 118 -0.898 9.295 -0.774 1.00 0.27 C ATOM 1659 O LEU A 118 -1.801 9.228 0.052 1.00 0.28 O ATOM 1660 CB LEU A 118 -1.123 8.724 -3.205 1.00 0.24 C ATOM 1661 CG LEU A 118 -2.051 7.553 -2.951 1.00 0.25 C ATOM 1662 CD1 LEU A 118 -3.481 7.963 -3.230 1.00 0.39 C ATOM 1663 CD2 LEU A 118 -1.649 6.362 -3.804 1.00 0.27 C ATOM 0 H LEU A 118 0.386 10.593 -3.366 1.00 0.24 H new ATOM 0 HA LEU A 118 -2.150 10.300 -2.157 1.00 0.23 H new ATOM 0 HB2 LEU A 118 -1.362 9.145 -4.182 1.00 0.24 H new ATOM 0 HB3 LEU A 118 -0.102 8.346 -3.262 1.00 0.24 H new ATOM 0 HG LEU A 118 -1.973 7.256 -1.905 1.00 0.25 H new ATOM 0 HD11 LEU A 118 -4.144 7.118 -3.046 1.00 0.39 H new ATOM 0 HD12 LEU A 118 -3.757 8.790 -2.576 1.00 0.39 H new ATOM 0 HD13 LEU A 118 -3.573 8.277 -4.270 1.00 0.39 H new ATOM 0 HD21 LEU A 118 -2.326 5.530 -3.609 1.00 0.27 H new ATOM 0 HD22 LEU A 118 -1.703 6.635 -4.858 1.00 0.27 H new ATOM 0 HD23 LEU A 118 -0.629 6.066 -3.558 1.00 0.27 H new ATOM 1675 N TYR A 119 0.345 8.911 -0.501 1.00 0.32 N ATOM 1676 CA TYR A 119 0.693 8.308 0.776 1.00 0.42 C ATOM 1677 C TYR A 119 0.861 9.352 1.829 1.00 0.40 C ATOM 1678 O TYR A 119 0.578 9.119 2.997 1.00 0.41 O ATOM 1679 CB TYR A 119 1.961 7.501 0.682 1.00 0.57 C ATOM 1680 CG TYR A 119 1.712 6.117 0.203 1.00 0.54 C ATOM 1681 CD1 TYR A 119 1.606 5.858 -1.142 1.00 0.92 C ATOM 1682 CD2 TYR A 119 1.587 5.069 1.098 1.00 1.09 C ATOM 1683 CE1 TYR A 119 1.394 4.588 -1.598 1.00 1.74 C ATOM 1684 CE2 TYR A 119 1.368 3.788 0.654 1.00 1.88 C ATOM 1685 CZ TYR A 119 1.277 3.549 -0.700 1.00 2.20 C ATOM 1686 OH TYR A 119 1.094 2.272 -1.158 1.00 3.04 O ATOM 0 H TYR A 119 1.127 9.008 -1.149 1.00 0.32 H new ATOM 0 HA TYR A 119 -0.128 7.644 1.046 1.00 0.42 H new ATOM 0 HB2 TYR A 119 2.656 7.998 0.006 1.00 0.57 H new ATOM 0 HB3 TYR A 119 2.439 7.464 1.661 1.00 0.57 H new ATOM 0 HD1 TYR A 119 1.692 6.670 -1.849 1.00 0.92 H new ATOM 0 HD2 TYR A 119 1.663 5.261 2.158 1.00 1.09 H new ATOM 0 HE1 TYR A 119 1.318 4.399 -2.659 1.00 1.74 H new ATOM 0 HE2 TYR A 119 1.268 2.976 1.359 1.00 1.88 H new ATOM 0 HH TYR A 119 1.955 1.900 -1.442 1.00 3.04 H new ATOM 1696 N GLU A 120 1.358 10.493 1.411 1.00 0.40 N ATOM 1697 CA GLU A 120 1.457 11.616 2.289 1.00 0.42 C ATOM 1698 C GLU A 120 0.072 11.936 2.727 1.00 0.37 C ATOM 1699 O GLU A 120 -0.161 12.247 3.882 1.00 0.43 O ATOM 1700 CB GLU A 120 2.065 12.815 1.576 1.00 0.50 C ATOM 1701 CG GLU A 120 2.853 13.711 2.497 1.00 0.76 C ATOM 1702 CD GLU A 120 3.109 15.080 1.903 1.00 1.58 C ATOM 1703 OE1 GLU A 120 4.042 15.211 1.081 1.00 2.44 O ATOM 1704 OE2 GLU A 120 2.390 16.033 2.258 1.00 1.93 O ATOM 0 H GLU A 120 1.699 10.660 0.464 1.00 0.40 H new ATOM 0 HA GLU A 120 2.102 11.383 3.136 1.00 0.42 H new ATOM 0 HB2 GLU A 120 2.716 12.463 0.776 1.00 0.50 H new ATOM 0 HB3 GLU A 120 1.269 13.394 1.108 1.00 0.50 H new ATOM 0 HG2 GLU A 120 2.314 13.823 3.438 1.00 0.76 H new ATOM 0 HG3 GLU A 120 3.806 13.237 2.731 1.00 0.76 H new ATOM 1711 N TYR A 121 -0.858 11.786 1.798 1.00 0.29 N ATOM 1712 CA TYR A 121 -2.258 11.947 2.135 1.00 0.28 C ATOM 1713 C TYR A 121 -2.722 10.814 3.043 1.00 0.27 C ATOM 1714 O TYR A 121 -3.552 11.011 3.927 1.00 0.29 O ATOM 1715 CB TYR A 121 -3.109 11.980 0.874 1.00 0.28 C ATOM 1716 CG TYR A 121 -4.581 11.826 1.135 1.00 0.30 C ATOM 1717 CD1 TYR A 121 -5.325 12.882 1.639 1.00 0.39 C ATOM 1718 CD2 TYR A 121 -5.226 10.634 0.868 1.00 0.33 C ATOM 1719 CE1 TYR A 121 -6.674 12.749 1.870 1.00 0.46 C ATOM 1720 CE2 TYR A 121 -6.575 10.494 1.093 1.00 0.41 C ATOM 1721 CZ TYR A 121 -7.288 11.533 1.637 1.00 0.46 C ATOM 1722 OH TYR A 121 -8.647 11.413 1.815 1.00 0.56 O ATOM 0 H TYR A 121 -0.672 11.557 0.822 1.00 0.29 H new ATOM 0 HA TYR A 121 -2.374 12.893 2.664 1.00 0.28 H new ATOM 0 HB2 TYR A 121 -2.938 12.923 0.355 1.00 0.28 H new ATOM 0 HB3 TYR A 121 -2.782 11.184 0.205 1.00 0.28 H new ATOM 0 HD1 TYR A 121 -4.838 13.822 1.853 1.00 0.39 H new ATOM 0 HD2 TYR A 121 -4.662 9.800 0.477 1.00 0.33 H new ATOM 0 HE1 TYR A 121 -7.249 13.589 2.231 1.00 0.46 H new ATOM 0 HE2 TYR A 121 -7.072 9.569 0.842 1.00 0.41 H new ATOM 0 HH TYR A 121 -8.924 10.496 1.609 1.00 0.56 H new ATOM 1732 N MET A 122 -2.152 9.640 2.844 1.00 0.27 N ATOM 1733 CA MET A 122 -2.660 8.440 3.478 1.00 0.29 C ATOM 1734 C MET A 122 -2.268 8.409 4.943 1.00 0.33 C ATOM 1735 O MET A 122 -3.126 8.310 5.815 1.00 0.35 O ATOM 1736 CB MET A 122 -2.194 7.174 2.765 1.00 0.33 C ATOM 1737 CG MET A 122 -3.351 6.247 2.463 1.00 0.71 C ATOM 1738 SD MET A 122 -2.979 5.059 1.170 1.00 0.56 S ATOM 1739 CE MET A 122 -3.087 6.132 -0.246 1.00 0.55 C ATOM 0 H MET A 122 -1.337 9.493 2.248 1.00 0.27 H new ATOM 0 HA MET A 122 -3.747 8.466 3.405 1.00 0.29 H new ATOM 0 HB2 MET A 122 -1.691 7.443 1.836 1.00 0.33 H new ATOM 0 HB3 MET A 122 -1.463 6.655 3.385 1.00 0.33 H new ATOM 0 HG2 MET A 122 -3.627 5.712 3.372 1.00 0.71 H new ATOM 0 HG3 MET A 122 -4.216 6.840 2.166 1.00 0.71 H new ATOM 0 HE1 MET A 122 -3.942 5.843 -0.857 1.00 0.55 H new ATOM 0 HE2 MET A 122 -3.211 7.162 0.087 1.00 0.55 H new ATOM 0 HE3 MET A 122 -2.174 6.049 -0.836 1.00 0.55 H new ATOM 1749 N LYS A 123 -0.967 8.513 5.219 1.00 0.37 N ATOM 1750 CA LYS A 123 -0.501 8.530 6.597 1.00 0.45 C ATOM 1751 C LYS A 123 -0.869 9.826 7.299 1.00 0.47 C ATOM 1752 O LYS A 123 -0.984 9.848 8.522 1.00 0.54 O ATOM 1753 CB LYS A 123 1.003 8.237 6.755 1.00 0.53 C ATOM 1754 CG LYS A 123 1.895 8.715 5.627 1.00 0.48 C ATOM 1755 CD LYS A 123 3.315 8.979 6.112 1.00 1.00 C ATOM 1756 CE LYS A 123 3.367 10.079 7.167 1.00 1.05 C ATOM 1757 NZ LYS A 123 3.092 11.424 6.596 1.00 1.46 N ATOM 0 H LYS A 123 -0.232 8.585 4.516 1.00 0.37 H new ATOM 0 HA LYS A 123 -1.025 7.706 7.081 1.00 0.45 H new ATOM 0 HB2 LYS A 123 1.347 8.695 7.682 1.00 0.53 H new ATOM 0 HB3 LYS A 123 1.134 7.160 6.864 1.00 0.53 H new ATOM 0 HG2 LYS A 123 1.913 7.967 4.834 1.00 0.48 H new ATOM 0 HG3 LYS A 123 1.481 9.627 5.196 1.00 0.48 H new ATOM 0 HD2 LYS A 123 3.733 8.061 6.525 1.00 1.00 H new ATOM 0 HD3 LYS A 123 3.940 9.260 5.265 1.00 1.00 H new ATOM 0 HE2 LYS A 123 2.639 9.863 7.949 1.00 1.05 H new ATOM 0 HE3 LYS A 123 4.350 10.081 7.638 1.00 1.05 H new ATOM 0 HZ1 LYS A 123 3.139 12.138 7.351 1.00 1.46 H new ATOM 0 HZ2 LYS A 123 3.801 11.644 5.868 1.00 1.46 H new ATOM 0 HZ3 LYS A 123 2.144 11.433 6.169 1.00 1.46 H new ATOM 1771 N LYS A 124 -1.053 10.915 6.548 1.00 0.43 N ATOM 1772 CA LYS A 124 -1.440 12.166 7.186 1.00 0.50 C ATOM 1773 C LYS A 124 -2.889 12.074 7.641 1.00 0.49 C ATOM 1774 O LYS A 124 -3.292 12.696 8.624 1.00 0.57 O ATOM 1775 CB LYS A 124 -1.213 13.395 6.279 1.00 0.56 C ATOM 1776 CG LYS A 124 -2.337 13.711 5.290 1.00 0.59 C ATOM 1777 CD LYS A 124 -3.413 14.603 5.900 1.00 0.97 C ATOM 1778 CE LYS A 124 -2.841 15.929 6.376 1.00 1.41 C ATOM 1779 NZ LYS A 124 -3.866 16.754 7.067 1.00 1.99 N ATOM 0 H LYS A 124 -0.944 10.954 5.535 1.00 0.43 H new ATOM 0 HA LYS A 124 -0.796 12.313 8.053 1.00 0.50 H new ATOM 0 HB2 LYS A 124 -1.058 14.267 6.914 1.00 0.56 H new ATOM 0 HB3 LYS A 124 -0.292 13.242 5.716 1.00 0.56 H new ATOM 0 HG2 LYS A 124 -1.917 14.201 4.411 1.00 0.59 H new ATOM 0 HG3 LYS A 124 -2.790 12.780 4.950 1.00 0.59 H new ATOM 0 HD2 LYS A 124 -4.194 14.787 5.162 1.00 0.97 H new ATOM 0 HD3 LYS A 124 -3.881 14.087 6.738 1.00 0.97 H new ATOM 0 HE2 LYS A 124 -2.007 15.743 7.053 1.00 1.41 H new ATOM 0 HE3 LYS A 124 -2.444 16.481 5.524 1.00 1.41 H new ATOM 0 HZ1 LYS A 124 -3.439 17.650 7.377 1.00 1.99 H new ATOM 0 HZ2 LYS A 124 -4.650 16.952 6.414 1.00 1.99 H new ATOM 0 HZ3 LYS A 124 -4.227 16.238 7.895 1.00 1.99 H new ATOM 1793 N THR A 125 -3.666 11.284 6.914 1.00 0.42 N ATOM 1794 CA THR A 125 -5.071 11.098 7.231 1.00 0.44 C ATOM 1795 C THR A 125 -5.267 9.968 8.244 1.00 0.44 C ATOM 1796 O THR A 125 -6.188 10.008 9.058 1.00 0.56 O ATOM 1797 CB THR A 125 -5.891 10.800 5.956 1.00 0.49 C ATOM 1798 OG1 THR A 125 -5.734 11.874 5.018 1.00 0.57 O ATOM 1799 CG2 THR A 125 -7.368 10.615 6.270 1.00 0.59 C ATOM 0 H THR A 125 -3.344 10.761 6.099 1.00 0.42 H new ATOM 0 HA THR A 125 -5.428 12.028 7.673 1.00 0.44 H new ATOM 0 HB THR A 125 -5.516 9.870 5.528 1.00 0.49 H new ATOM 0 HG1 THR A 125 -5.193 11.570 4.260 1.00 0.57 H new ATOM 0 HG21 THR A 125 -7.913 10.407 5.349 1.00 0.59 H new ATOM 0 HG22 THR A 125 -7.491 9.781 6.961 1.00 0.59 H new ATOM 0 HG23 THR A 125 -7.760 11.524 6.726 1.00 0.59 H new ATOM 1807 N LYS A 126 -4.394 8.969 8.207 1.00 0.44 N ATOM 1808 CA LYS A 126 -4.588 7.769 9.010 1.00 0.54 C ATOM 1809 C LYS A 126 -3.320 7.339 9.744 1.00 0.57 C ATOM 1810 O LYS A 126 -2.355 6.885 9.123 1.00 0.68 O ATOM 1811 CB LYS A 126 -5.066 6.627 8.113 1.00 0.78 C ATOM 1812 CG LYS A 126 -6.423 6.871 7.473 1.00 1.26 C ATOM 1813 CD LYS A 126 -7.556 6.249 8.278 1.00 0.92 C ATOM 1814 CE LYS A 126 -7.765 6.911 9.631 1.00 1.27 C ATOM 1815 NZ LYS A 126 -8.221 8.320 9.505 1.00 1.85 N ATOM 0 H LYS A 126 -3.550 8.966 7.634 1.00 0.44 H new ATOM 0 HA LYS A 126 -5.337 8.005 9.766 1.00 0.54 H new ATOM 0 HB2 LYS A 126 -4.329 6.463 7.327 1.00 0.78 H new ATOM 0 HB3 LYS A 126 -5.113 5.711 8.702 1.00 0.78 H new ATOM 0 HG2 LYS A 126 -6.592 7.944 7.380 1.00 1.26 H new ATOM 0 HG3 LYS A 126 -6.427 6.459 6.464 1.00 1.26 H new ATOM 0 HD2 LYS A 126 -8.480 6.314 7.703 1.00 0.92 H new ATOM 0 HD3 LYS A 126 -7.347 5.190 8.428 1.00 0.92 H new ATOM 0 HE2 LYS A 126 -8.500 6.343 10.201 1.00 1.27 H new ATOM 0 HE3 LYS A 126 -6.833 6.882 10.195 1.00 1.27 H new ATOM 0 HZ1 LYS A 126 -8.431 8.703 10.449 1.00 1.85 H new ATOM 0 HZ2 LYS A 126 -7.473 8.889 9.060 1.00 1.85 H new ATOM 0 HZ3 LYS A 126 -9.079 8.356 8.918 1.00 1.85 H new ATOM 1829 N PRO A 127 -3.315 7.480 11.078 1.00 0.77 N ATOM 1830 CA PRO A 127 -2.281 6.911 11.953 1.00 1.04 C ATOM 1831 C PRO A 127 -2.481 5.404 12.132 1.00 1.27 C ATOM 1832 O PRO A 127 -1.576 4.677 12.544 1.00 1.69 O ATOM 1833 CB PRO A 127 -2.489 7.639 13.289 1.00 1.28 C ATOM 1834 CG PRO A 127 -3.495 8.711 13.022 1.00 1.22 C ATOM 1835 CD PRO A 127 -4.301 8.242 11.848 1.00 0.95 C ATOM 0 HA PRO A 127 -1.277 7.038 11.548 1.00 1.04 H new ATOM 0 HB2 PRO A 127 -2.846 6.952 14.056 1.00 1.28 H new ATOM 0 HB3 PRO A 127 -1.553 8.064 13.652 1.00 1.28 H new ATOM 0 HG2 PRO A 127 -4.132 8.873 13.892 1.00 1.22 H new ATOM 0 HG3 PRO A 127 -3.005 9.660 12.804 1.00 1.22 H new ATOM 0 HD2 PRO A 127 -5.144 7.623 12.155 1.00 0.95 H new ATOM 0 HD3 PRO A 127 -4.709 9.075 11.275 1.00 0.95 H new ATOM 1843 N GLY A 128 -3.684 4.945 11.816 1.00 1.55 N ATOM 1844 CA GLY A 128 -3.974 3.527 11.853 1.00 1.96 C ATOM 1845 C GLY A 128 -4.286 3.029 13.245 1.00 2.13 C ATOM 1846 O GLY A 128 -5.100 3.616 13.956 1.00 2.59 O ATOM 0 H GLY A 128 -4.468 5.534 11.533 1.00 1.55 H new ATOM 0 HA2 GLY A 128 -4.820 3.317 11.199 1.00 1.96 H new ATOM 0 HA3 GLY A 128 -3.121 2.976 11.458 1.00 1.96 H new ATOM 1850 N ILE A 129 -3.638 1.936 13.626 1.00 2.17 N ATOM 1851 CA ILE A 129 -3.848 1.326 14.934 1.00 2.46 C ATOM 1852 C ILE A 129 -3.143 2.136 16.019 1.00 2.36 C ATOM 1853 O ILE A 129 -3.517 2.097 17.194 1.00 2.70 O ATOM 1854 CB ILE A 129 -3.321 -0.126 14.954 1.00 2.91 C ATOM 1855 CG1 ILE A 129 -3.867 -0.900 13.749 1.00 3.06 C ATOM 1856 CG2 ILE A 129 -3.711 -0.820 16.255 1.00 3.44 C ATOM 1857 CD1 ILE A 129 -3.329 -2.310 13.634 1.00 3.58 C ATOM 0 H ILE A 129 -2.957 1.450 13.043 1.00 2.17 H new ATOM 0 HA ILE A 129 -4.920 1.316 15.130 1.00 2.46 H new ATOM 0 HB ILE A 129 -2.233 -0.103 14.893 1.00 2.91 H new ATOM 0 HG12 ILE A 129 -4.954 -0.940 13.817 1.00 3.06 H new ATOM 0 HG13 ILE A 129 -3.625 -0.353 12.838 1.00 3.06 H new ATOM 0 HG21 ILE A 129 -3.331 -1.842 16.250 1.00 3.44 H new ATOM 0 HG22 ILE A 129 -3.284 -0.278 17.099 1.00 3.44 H new ATOM 0 HG23 ILE A 129 -4.797 -0.837 16.347 1.00 3.44 H new ATOM 0 HD11 ILE A 129 -3.761 -2.794 12.758 1.00 3.58 H new ATOM 0 HD12 ILE A 129 -2.244 -2.278 13.533 1.00 3.58 H new ATOM 0 HD13 ILE A 129 -3.594 -2.875 14.528 1.00 3.58 H new ATOM 1869 N LEU A 130 -2.126 2.875 15.609 1.00 2.12 N ATOM 1870 CA LEU A 130 -1.344 3.684 16.526 1.00 2.29 C ATOM 1871 C LEU A 130 -1.878 5.111 16.509 1.00 2.20 C ATOM 1872 O LEU A 130 -2.542 5.521 15.559 1.00 2.44 O ATOM 1873 CB LEU A 130 0.132 3.662 16.094 1.00 2.58 C ATOM 1874 CG LEU A 130 1.189 3.701 17.216 1.00 2.89 C ATOM 1875 CD1 LEU A 130 1.240 5.054 17.907 1.00 3.36 C ATOM 1876 CD2 LEU A 130 0.940 2.597 18.231 1.00 3.47 C ATOM 0 H LEU A 130 -1.821 2.931 14.637 1.00 2.12 H new ATOM 0 HA LEU A 130 -1.421 3.285 17.537 1.00 2.29 H new ATOM 0 HB2 LEU A 130 0.299 2.762 15.502 1.00 2.58 H new ATOM 0 HB3 LEU A 130 0.305 4.513 15.435 1.00 2.58 H new ATOM 0 HG LEU A 130 2.159 3.536 16.747 1.00 2.89 H new ATOM 0 HD11 LEU A 130 1.998 5.034 18.690 1.00 3.36 H new ATOM 0 HD12 LEU A 130 1.490 5.825 17.179 1.00 3.36 H new ATOM 0 HD13 LEU A 130 0.268 5.274 18.349 1.00 3.36 H new ATOM 0 HD21 LEU A 130 1.698 2.644 19.013 1.00 3.47 H new ATOM 0 HD22 LEU A 130 -0.047 2.726 18.674 1.00 3.47 H new ATOM 0 HD23 LEU A 130 0.991 1.628 17.734 1.00 3.47 H new ATOM 1888 N ALA A 131 -1.592 5.858 17.567 1.00 2.45 N ATOM 1889 CA ALA A 131 -1.937 7.269 17.630 1.00 2.67 C ATOM 1890 C ALA A 131 -1.127 8.070 16.614 1.00 2.55 C ATOM 1891 O ALA A 131 -1.434 9.228 16.332 1.00 3.21 O ATOM 1892 CB ALA A 131 -1.701 7.806 19.032 1.00 3.28 C ATOM 0 H ALA A 131 -1.118 5.505 18.399 1.00 2.45 H new ATOM 0 HA ALA A 131 -2.994 7.375 17.385 1.00 2.67 H new ATOM 0 HB1 ALA A 131 -1.963 8.863 19.066 1.00 3.28 H new ATOM 0 HB2 ALA A 131 -2.320 7.256 19.741 1.00 3.28 H new ATOM 0 HB3 ALA A 131 -0.651 7.684 19.296 1.00 3.28 H new ATOM 1898 N THR A 132 -0.077 7.456 16.081 1.00 2.02 N ATOM 1899 CA THR A 132 0.733 8.081 15.051 1.00 2.10 C ATOM 1900 C THR A 132 1.339 7.021 14.117 1.00 1.56 C ATOM 1901 O THR A 132 0.611 6.354 13.384 1.00 2.12 O ATOM 1902 CB THR A 132 1.854 8.949 15.661 1.00 2.73 C ATOM 1903 OG1 THR A 132 1.345 9.707 16.769 1.00 3.34 O ATOM 1904 CG2 THR A 132 2.429 9.909 14.628 1.00 3.56 C ATOM 0 H THR A 132 0.232 6.521 16.349 1.00 2.02 H new ATOM 0 HA THR A 132 0.077 8.731 14.472 1.00 2.10 H new ATOM 0 HB THR A 132 2.644 8.279 16.000 1.00 2.73 H new ATOM 0 HG1 THR A 132 2.064 10.253 17.150 1.00 3.34 H new ATOM 0 HG21 THR A 132 3.216 10.507 15.086 1.00 3.56 H new ATOM 0 HG22 THR A 132 2.843 9.341 13.795 1.00 3.56 H new ATOM 0 HG23 THR A 132 1.640 10.566 14.263 1.00 3.56 H new ATOM 1912 N LYS A 133 2.661 6.834 14.198 1.00 1.29 N ATOM 1913 CA LYS A 133 3.418 5.990 13.266 1.00 1.47 C ATOM 1914 C LYS A 133 3.268 6.452 11.814 1.00 1.14 C ATOM 1915 O LYS A 133 2.176 6.760 11.344 1.00 1.58 O ATOM 1916 CB LYS A 133 3.048 4.511 13.409 1.00 2.24 C ATOM 1917 CG LYS A 133 3.551 3.887 14.701 1.00 3.04 C ATOM 1918 CD LYS A 133 3.337 2.381 14.721 1.00 3.81 C ATOM 1919 CE LYS A 133 3.822 1.762 16.025 1.00 4.63 C ATOM 1920 NZ LYS A 133 5.293 1.904 16.214 1.00 5.17 N ATOM 0 H LYS A 133 3.240 7.267 14.917 1.00 1.29 H new ATOM 0 HA LYS A 133 4.468 6.099 13.536 1.00 1.47 H new ATOM 0 HB2 LYS A 133 1.964 4.409 13.362 1.00 2.24 H new ATOM 0 HB3 LYS A 133 3.457 3.958 12.563 1.00 2.24 H new ATOM 0 HG2 LYS A 133 4.612 4.105 14.821 1.00 3.04 H new ATOM 0 HG3 LYS A 133 3.035 4.339 15.548 1.00 3.04 H new ATOM 0 HD2 LYS A 133 2.278 2.162 14.586 1.00 3.81 H new ATOM 0 HD3 LYS A 133 3.866 1.927 13.883 1.00 3.81 H new ATOM 0 HE2 LYS A 133 3.305 2.233 16.861 1.00 4.63 H new ATOM 0 HE3 LYS A 133 3.558 0.705 16.041 1.00 4.63 H new ATOM 0 HZ1 LYS A 133 5.618 1.225 16.932 1.00 5.17 H new ATOM 0 HZ2 LYS A 133 5.779 1.715 15.314 1.00 5.17 H new ATOM 0 HZ3 LYS A 133 5.511 2.871 16.528 1.00 5.17 H new ATOM 1934 N ALA A 134 4.375 6.484 11.095 1.00 0.92 N ATOM 1935 CA ALA A 134 4.374 6.998 9.736 1.00 0.77 C ATOM 1936 C ALA A 134 4.744 5.923 8.720 1.00 0.81 C ATOM 1937 O ALA A 134 5.739 6.067 8.015 1.00 1.59 O ATOM 1938 CB ALA A 134 5.329 8.180 9.632 1.00 1.02 C ATOM 0 H ALA A 134 5.284 6.162 11.427 1.00 0.92 H new ATOM 0 HA ALA A 134 3.361 7.327 9.502 1.00 0.77 H new ATOM 0 HB1 ALA A 134 5.325 8.562 8.611 1.00 1.02 H new ATOM 0 HB2 ALA A 134 5.010 8.967 10.315 1.00 1.02 H new ATOM 0 HB3 ALA A 134 6.337 7.858 9.895 1.00 1.02 H new ATOM 1944 N ILE A 135 3.922 4.855 8.653 1.00 0.69 N ATOM 1945 CA ILE A 135 4.111 3.737 7.697 1.00 0.74 C ATOM 1946 C ILE A 135 5.599 3.375 7.517 1.00 1.09 C ATOM 1947 O ILE A 135 6.059 3.134 6.409 1.00 2.00 O ATOM 1948 CB ILE A 135 3.463 4.024 6.324 1.00 0.86 C ATOM 1949 CG1 ILE A 135 3.859 5.383 5.747 1.00 0.88 C ATOM 1950 CG2 ILE A 135 1.963 3.942 6.476 1.00 1.54 C ATOM 1951 CD1 ILE A 135 3.566 5.534 4.271 1.00 0.89 C ATOM 0 H ILE A 135 3.109 4.741 9.258 1.00 0.69 H new ATOM 0 HA ILE A 135 3.602 2.879 8.136 1.00 0.74 H new ATOM 0 HB ILE A 135 3.826 3.276 5.619 1.00 0.86 H new ATOM 0 HG12 ILE A 135 3.332 6.165 6.293 1.00 0.88 H new ATOM 0 HG13 ILE A 135 4.925 5.540 5.913 1.00 0.88 H new ATOM 0 HG21 ILE A 135 1.488 4.142 5.515 1.00 1.54 H new ATOM 0 HG22 ILE A 135 1.686 2.944 6.817 1.00 1.54 H new ATOM 0 HG23 ILE A 135 1.630 4.680 7.206 1.00 1.54 H new ATOM 0 HD11 ILE A 135 3.876 6.525 3.938 1.00 0.89 H new ATOM 0 HD12 ILE A 135 4.114 4.776 3.712 1.00 0.89 H new ATOM 0 HD13 ILE A 135 2.497 5.411 4.098 1.00 0.89 H new ATOM 1963 N LYS A 136 6.329 3.324 8.631 1.00 0.85 N ATOM 1964 CA LYS A 136 7.789 3.153 8.619 1.00 1.14 C ATOM 1965 C LYS A 136 8.169 1.662 8.660 1.00 0.75 C ATOM 1966 O LYS A 136 9.123 1.255 9.321 1.00 0.78 O ATOM 1967 CB LYS A 136 8.379 3.911 9.824 1.00 1.71 C ATOM 1968 CG LYS A 136 9.848 4.304 9.694 1.00 2.72 C ATOM 1969 CD LYS A 136 10.778 3.295 10.356 1.00 3.21 C ATOM 1970 CE LYS A 136 12.205 3.819 10.417 1.00 4.09 C ATOM 1971 NZ LYS A 136 12.825 3.908 9.067 1.00 4.81 N ATOM 0 H LYS A 136 5.930 3.399 9.567 1.00 0.85 H new ATOM 0 HA LYS A 136 8.200 3.561 7.695 1.00 1.14 H new ATOM 0 HB2 LYS A 136 7.792 4.815 9.986 1.00 1.71 H new ATOM 0 HB3 LYS A 136 8.263 3.292 10.713 1.00 1.71 H new ATOM 0 HG2 LYS A 136 10.106 4.394 8.639 1.00 2.72 H new ATOM 0 HG3 LYS A 136 10.000 5.285 10.144 1.00 2.72 H new ATOM 0 HD2 LYS A 136 10.424 3.077 11.364 1.00 3.21 H new ATOM 0 HD3 LYS A 136 10.756 2.357 9.801 1.00 3.21 H new ATOM 0 HE2 LYS A 136 12.210 4.804 10.884 1.00 4.09 H new ATOM 0 HE3 LYS A 136 12.805 3.164 11.049 1.00 4.09 H new ATOM 0 HZ1 LYS A 136 13.802 4.253 9.156 1.00 4.81 H new ATOM 0 HZ2 LYS A 136 12.829 2.967 8.624 1.00 4.81 H new ATOM 0 HZ3 LYS A 136 12.278 4.566 8.476 1.00 4.81 H new ATOM 1985 N TRP A 137 7.408 0.848 7.949 1.00 0.69 N ATOM 1986 CA TRP A 137 7.644 -0.588 7.902 1.00 0.45 C ATOM 1987 C TRP A 137 7.584 -1.086 6.478 1.00 0.43 C ATOM 1988 O TRP A 137 7.326 -0.323 5.556 1.00 0.55 O ATOM 1989 CB TRP A 137 6.621 -1.377 8.735 1.00 0.42 C ATOM 1990 CG TRP A 137 6.821 -1.259 10.207 1.00 0.62 C ATOM 1991 CD1 TRP A 137 7.298 -2.203 11.072 1.00 0.93 C ATOM 1992 CD2 TRP A 137 6.550 -0.104 10.981 1.00 1.00 C ATOM 1993 NE1 TRP A 137 7.369 -1.668 12.341 1.00 1.11 N ATOM 1994 CE2 TRP A 137 6.910 -0.380 12.302 1.00 1.16 C ATOM 1995 CE3 TRP A 137 6.046 1.145 10.666 1.00 1.47 C ATOM 1996 CZ2 TRP A 137 6.782 0.564 13.310 1.00 1.59 C ATOM 1997 CZ3 TRP A 137 5.923 2.084 11.651 1.00 1.97 C ATOM 1998 CH2 TRP A 137 6.293 1.795 12.967 1.00 1.97 C ATOM 0 H TRP A 137 6.613 1.159 7.391 1.00 0.69 H new ATOM 0 HA TRP A 137 8.636 -0.752 8.324 1.00 0.45 H new ATOM 0 HB2 TRP A 137 5.619 -1.029 8.485 1.00 0.42 H new ATOM 0 HB3 TRP A 137 6.673 -2.429 8.454 1.00 0.42 H new ATOM 0 HD1 TRP A 137 7.576 -3.211 10.804 1.00 0.93 H new ATOM 0 HE1 TRP A 137 7.708 -2.153 13.172 1.00 1.11 H new ATOM 0 HE3 TRP A 137 5.753 1.376 9.652 1.00 1.47 H new ATOM 0 HZ2 TRP A 137 7.058 0.336 14.329 1.00 1.59 H new ATOM 0 HZ3 TRP A 137 5.535 3.062 11.409 1.00 1.97 H new ATOM 0 HH2 TRP A 137 6.191 2.556 13.726 1.00 1.97 H new ATOM 2009 N ASN A 138 7.907 -2.356 6.322 1.00 0.37 N ATOM 2010 CA ASN A 138 7.588 -3.147 5.130 1.00 0.38 C ATOM 2011 C ASN A 138 6.144 -2.895 4.662 1.00 0.31 C ATOM 2012 O ASN A 138 5.555 -1.878 4.959 1.00 0.30 O ATOM 2013 CB ASN A 138 7.788 -4.636 5.415 1.00 0.41 C ATOM 2014 CG ASN A 138 9.021 -4.914 6.253 1.00 1.06 C ATOM 2015 OD1 ASN A 138 10.168 -5.036 5.607 1.00 2.04 O flip ATOM 2016 ND2 ASN A 138 8.941 -4.998 7.478 1.00 1.40 N flip ATOM 0 H ASN A 138 8.411 -2.886 7.033 1.00 0.37 H new ATOM 0 HA ASN A 138 8.264 -2.837 4.333 1.00 0.38 H new ATOM 0 HB2 ASN A 138 6.909 -5.024 5.930 1.00 0.41 H new ATOM 0 HB3 ASN A 138 7.867 -5.174 4.471 1.00 0.41 H new ATOM 0 HD21 ASN A 138 8.036 -4.898 7.938 1.00 1.40 H new ATOM 0 HD22 ASN A 138 9.780 -5.168 8.033 1.00 1.40 H new ATOM 2023 N PHE A 139 5.576 -3.857 3.951 1.00 0.34 N ATOM 2024 CA PHE A 139 4.331 -3.689 3.186 1.00 0.36 C ATOM 2025 C PHE A 139 3.354 -2.609 3.719 1.00 0.32 C ATOM 2026 O PHE A 139 2.972 -1.778 2.929 1.00 0.57 O ATOM 2027 CB PHE A 139 3.635 -5.039 3.178 1.00 0.55 C ATOM 2028 CG PHE A 139 3.876 -5.852 1.943 1.00 0.55 C ATOM 2029 CD1 PHE A 139 5.147 -6.303 1.599 1.00 0.61 C ATOM 2030 CD2 PHE A 139 2.814 -6.182 1.133 1.00 1.23 C ATOM 2031 CE1 PHE A 139 5.332 -7.069 0.465 1.00 1.22 C ATOM 2032 CE2 PHE A 139 2.991 -6.946 0.009 1.00 1.93 C ATOM 2033 CZ PHE A 139 4.251 -7.394 -0.328 1.00 1.89 C ATOM 0 H PHE A 139 5.967 -4.796 3.883 1.00 0.34 H new ATOM 0 HA PHE A 139 4.610 -3.335 2.194 1.00 0.36 H new ATOM 0 HB2 PHE A 139 3.967 -5.610 4.045 1.00 0.55 H new ATOM 0 HB3 PHE A 139 2.562 -4.882 3.291 1.00 0.55 H new ATOM 0 HD1 PHE A 139 5.993 -6.053 2.222 1.00 0.61 H new ATOM 0 HD2 PHE A 139 1.824 -5.833 1.387 1.00 1.23 H new ATOM 0 HE1 PHE A 139 6.321 -7.413 0.200 1.00 1.22 H new ATOM 0 HE2 PHE A 139 2.144 -7.197 -0.612 1.00 1.93 H new ATOM 0 HZ PHE A 139 4.391 -7.999 -1.212 1.00 1.89 H new ATOM 2043 N THR A 140 2.960 -2.617 5.013 1.00 0.25 N ATOM 2044 CA THR A 140 2.136 -1.549 5.624 1.00 0.25 C ATOM 2045 C THR A 140 0.999 -1.057 4.721 1.00 0.22 C ATOM 2046 O THR A 140 1.185 -0.317 3.763 1.00 0.29 O ATOM 2047 CB THR A 140 2.978 -0.346 6.078 1.00 0.37 C ATOM 2048 OG1 THR A 140 4.140 -0.794 6.778 1.00 0.48 O ATOM 2049 CG2 THR A 140 2.164 0.554 6.993 1.00 0.60 C ATOM 0 H THR A 140 3.204 -3.364 5.663 1.00 0.25 H new ATOM 0 HA THR A 140 1.687 -2.022 6.498 1.00 0.25 H new ATOM 0 HB THR A 140 3.278 0.214 5.193 1.00 0.37 H new ATOM 0 HG1 THR A 140 4.751 -1.232 6.150 1.00 0.48 H new ATOM 0 HG21 THR A 140 2.774 1.401 7.306 1.00 0.60 H new ATOM 0 HG22 THR A 140 1.286 0.917 6.459 1.00 0.60 H new ATOM 0 HG23 THR A 140 1.848 -0.010 7.871 1.00 0.60 H new ATOM 2057 N SER A 141 -0.192 -1.402 5.107 1.00 0.19 N ATOM 2058 CA SER A 141 -1.349 -1.241 4.235 1.00 0.20 C ATOM 2059 C SER A 141 -2.209 -0.084 4.682 1.00 0.22 C ATOM 2060 O SER A 141 -2.134 0.298 5.820 1.00 0.39 O ATOM 2061 CB SER A 141 -2.173 -2.502 4.288 1.00 0.26 C ATOM 2062 OG SER A 141 -1.347 -3.647 4.241 1.00 0.62 O ATOM 0 H SER A 141 -0.403 -1.800 6.022 1.00 0.19 H new ATOM 0 HA SER A 141 -0.997 -1.044 3.222 1.00 0.20 H new ATOM 0 HB2 SER A 141 -2.767 -2.515 5.202 1.00 0.26 H new ATOM 0 HB3 SER A 141 -2.873 -2.519 3.453 1.00 0.26 H new ATOM 0 HG SER A 141 -1.187 -3.897 3.307 1.00 0.62 H new ATOM 2068 N PHE A 142 -3.026 0.467 3.797 1.00 0.19 N ATOM 2069 CA PHE A 142 -4.081 1.373 4.202 1.00 0.18 C ATOM 2070 C PHE A 142 -5.357 0.830 3.646 1.00 0.18 C ATOM 2071 O PHE A 142 -5.462 0.601 2.455 1.00 0.21 O ATOM 2072 CB PHE A 142 -3.872 2.784 3.664 1.00 0.22 C ATOM 2073 CG PHE A 142 -2.823 3.583 4.370 1.00 0.26 C ATOM 2074 CD1 PHE A 142 -3.159 4.358 5.467 1.00 0.35 C ATOM 2075 CD2 PHE A 142 -1.514 3.596 3.919 1.00 0.42 C ATOM 2076 CE1 PHE A 142 -2.209 5.128 6.104 1.00 0.50 C ATOM 2077 CE2 PHE A 142 -0.563 4.359 4.554 1.00 0.55 C ATOM 2078 CZ PHE A 142 -0.911 5.129 5.646 1.00 0.57 C ATOM 0 H PHE A 142 -2.975 0.300 2.792 1.00 0.19 H new ATOM 0 HA PHE A 142 -4.093 1.442 5.290 1.00 0.18 H new ATOM 0 HB2 PHE A 142 -3.608 2.718 2.609 1.00 0.22 H new ATOM 0 HB3 PHE A 142 -4.818 3.322 3.723 1.00 0.22 H new ATOM 0 HD1 PHE A 142 -4.177 4.359 5.828 1.00 0.35 H new ATOM 0 HD2 PHE A 142 -1.238 3.001 3.061 1.00 0.42 H new ATOM 0 HE1 PHE A 142 -2.482 5.728 6.959 1.00 0.50 H new ATOM 0 HE2 PHE A 142 0.457 4.356 4.199 1.00 0.55 H new ATOM 0 HZ PHE A 142 -0.164 5.732 6.141 1.00 0.57 H new ATOM 2088 N LEU A 143 -6.327 0.600 4.472 1.00 0.17 N ATOM 2089 CA LEU A 143 -7.554 0.097 3.951 1.00 0.16 C ATOM 2090 C LEU A 143 -8.325 1.242 3.371 1.00 0.15 C ATOM 2091 O LEU A 143 -8.894 2.062 4.073 1.00 0.18 O ATOM 2092 CB LEU A 143 -8.345 -0.635 5.011 1.00 0.21 C ATOM 2093 CG LEU A 143 -9.846 -0.696 4.756 1.00 0.23 C ATOM 2094 CD1 LEU A 143 -10.180 -1.674 3.641 1.00 0.41 C ATOM 2095 CD2 LEU A 143 -10.597 -1.049 6.022 1.00 0.43 C ATOM 0 H LEU A 143 -6.297 0.747 5.481 1.00 0.17 H new ATOM 0 HA LEU A 143 -7.350 -0.633 3.168 1.00 0.16 H new ATOM 0 HB2 LEU A 143 -7.962 -1.652 5.093 1.00 0.21 H new ATOM 0 HB3 LEU A 143 -8.173 -0.151 5.973 1.00 0.21 H new ATOM 0 HG LEU A 143 -10.165 0.296 4.436 1.00 0.23 H new ATOM 0 HD11 LEU A 143 -11.259 -1.693 3.485 1.00 0.41 H new ATOM 0 HD12 LEU A 143 -9.686 -1.360 2.722 1.00 0.41 H new ATOM 0 HD13 LEU A 143 -9.835 -2.671 3.916 1.00 0.41 H new ATOM 0 HD21 LEU A 143 -11.666 -1.086 5.813 1.00 0.43 H new ATOM 0 HD22 LEU A 143 -10.264 -2.022 6.383 1.00 0.43 H new ATOM 0 HD23 LEU A 143 -10.402 -0.293 6.783 1.00 0.43 H new ATOM 2107 N ILE A 144 -8.298 1.282 2.072 1.00 0.14 N ATOM 2108 CA ILE A 144 -8.892 2.334 1.313 1.00 0.14 C ATOM 2109 C ILE A 144 -10.300 1.909 0.956 1.00 0.15 C ATOM 2110 O ILE A 144 -10.519 0.756 0.600 1.00 0.19 O ATOM 2111 CB ILE A 144 -8.061 2.568 0.042 1.00 0.15 C ATOM 2112 CG1 ILE A 144 -6.586 2.780 0.369 1.00 0.17 C ATOM 2113 CG2 ILE A 144 -8.609 3.734 -0.742 1.00 0.17 C ATOM 2114 CD1 ILE A 144 -6.305 4.017 1.157 1.00 0.19 C ATOM 0 H ILE A 144 -7.851 0.565 1.500 1.00 0.14 H new ATOM 0 HA ILE A 144 -8.921 3.263 1.883 1.00 0.14 H new ATOM 0 HB ILE A 144 -8.135 1.672 -0.574 1.00 0.15 H new ATOM 0 HG12 ILE A 144 -6.221 1.917 0.926 1.00 0.17 H new ATOM 0 HG13 ILE A 144 -6.021 2.820 -0.562 1.00 0.17 H new ATOM 0 HG21 ILE A 144 -8.008 3.884 -1.639 1.00 0.17 H new ATOM 0 HG22 ILE A 144 -9.641 3.528 -1.027 1.00 0.17 H new ATOM 0 HG23 ILE A 144 -8.575 4.634 -0.127 1.00 0.17 H new ATOM 0 HD11 ILE A 144 -5.234 4.092 1.347 1.00 0.19 H new ATOM 0 HD12 ILE A 144 -6.636 4.890 0.594 1.00 0.19 H new ATOM 0 HD13 ILE A 144 -6.839 3.973 2.106 1.00 0.19 H new ATOM 2126 N ASP A 145 -11.251 2.814 1.054 1.00 0.14 N ATOM 2127 CA ASP A 145 -12.658 2.403 0.977 1.00 0.15 C ATOM 2128 C ASP A 145 -13.166 2.405 -0.463 1.00 0.14 C ATOM 2129 O ASP A 145 -12.386 2.596 -1.393 1.00 0.15 O ATOM 2130 CB ASP A 145 -13.538 3.273 1.888 1.00 0.19 C ATOM 2131 CG ASP A 145 -14.343 4.325 1.147 1.00 0.58 C ATOM 2132 OD1 ASP A 145 -13.743 5.213 0.521 1.00 0.98 O ATOM 2133 OD2 ASP A 145 -15.589 4.245 1.169 1.00 0.75 O ATOM 0 H ASP A 145 -11.095 3.814 1.184 1.00 0.14 H new ATOM 0 HA ASP A 145 -12.722 1.376 1.338 1.00 0.15 H new ATOM 0 HB2 ASP A 145 -14.222 2.628 2.439 1.00 0.19 H new ATOM 0 HB3 ASP A 145 -12.904 3.767 2.624 1.00 0.19 H new ATOM 2138 N ARG A 146 -14.467 2.173 -0.643 1.00 0.17 N ATOM 2139 CA ARG A 146 -15.068 2.132 -1.974 1.00 0.17 C ATOM 2140 C ARG A 146 -14.796 3.431 -2.724 1.00 0.18 C ATOM 2141 O ARG A 146 -14.538 3.434 -3.922 1.00 0.22 O ATOM 2142 CB ARG A 146 -16.585 1.931 -1.889 1.00 0.19 C ATOM 2143 CG ARG A 146 -17.043 0.927 -0.845 1.00 0.24 C ATOM 2144 CD ARG A 146 -18.520 0.605 -1.017 1.00 0.29 C ATOM 2145 NE ARG A 146 -19.321 1.807 -1.250 1.00 1.00 N ATOM 2146 CZ ARG A 146 -20.642 1.806 -1.443 1.00 1.46 C ATOM 2147 NH1 ARG A 146 -21.333 0.677 -1.353 1.00 1.63 N ATOM 2148 NH2 ARG A 146 -21.266 2.942 -1.718 1.00 2.22 N ATOM 0 H ARG A 146 -15.125 2.010 0.119 1.00 0.17 H new ATOM 0 HA ARG A 146 -14.620 1.293 -2.506 1.00 0.17 H new ATOM 0 HB2 ARG A 146 -17.052 2.892 -1.676 1.00 0.19 H new ATOM 0 HB3 ARG A 146 -16.949 1.609 -2.865 1.00 0.19 H new ATOM 0 HG2 ARG A 146 -16.455 0.013 -0.930 1.00 0.24 H new ATOM 0 HG3 ARG A 146 -16.867 1.328 0.153 1.00 0.24 H new ATOM 0 HD2 ARG A 146 -18.646 -0.082 -1.854 1.00 0.29 H new ATOM 0 HD3 ARG A 146 -18.885 0.093 -0.127 1.00 0.29 H new ATOM 0 HE ARG A 146 -18.838 2.705 -1.266 1.00 1.00 H new ATOM 0 HH11 ARG A 146 -20.855 -0.197 -1.135 1.00 1.63 H new ATOM 0 HH12 ARG A 146 -22.342 0.683 -1.502 1.00 1.63 H new ATOM 0 HH21 ARG A 146 -20.737 3.812 -1.781 1.00 2.22 H new ATOM 0 HH22 ARG A 146 -22.275 2.947 -1.866 1.00 2.22 H new ATOM 2162 N ASP A 147 -14.830 4.533 -2.001 1.00 0.18 N ATOM 2163 CA ASP A 147 -14.671 5.845 -2.598 1.00 0.21 C ATOM 2164 C ASP A 147 -13.208 6.239 -2.526 1.00 0.18 C ATOM 2165 O ASP A 147 -12.842 7.380 -2.772 1.00 0.24 O ATOM 2166 CB ASP A 147 -15.550 6.854 -1.846 1.00 0.28 C ATOM 2167 CG ASP A 147 -15.608 8.220 -2.498 1.00 1.09 C ATOM 2168 OD1 ASP A 147 -16.288 8.358 -3.537 1.00 1.19 O ATOM 2169 OD2 ASP A 147 -15.013 9.175 -1.953 1.00 2.00 O ATOM 0 H ASP A 147 -14.968 4.545 -0.990 1.00 0.18 H new ATOM 0 HA ASP A 147 -14.982 5.831 -3.643 1.00 0.21 H new ATOM 0 HB2 ASP A 147 -16.561 6.455 -1.770 1.00 0.28 H new ATOM 0 HB3 ASP A 147 -15.173 6.963 -0.829 1.00 0.28 H new ATOM 2174 N GLY A 148 -12.369 5.256 -2.228 1.00 0.16 N ATOM 2175 CA GLY A 148 -10.965 5.502 -2.067 1.00 0.16 C ATOM 2176 C GLY A 148 -10.611 6.342 -0.855 1.00 0.15 C ATOM 2177 O GLY A 148 -9.663 7.116 -0.911 1.00 0.17 O ATOM 0 H GLY A 148 -12.649 4.284 -2.095 1.00 0.16 H new ATOM 0 HA2 GLY A 148 -10.447 4.546 -1.995 1.00 0.16 H new ATOM 0 HA3 GLY A 148 -10.591 6.001 -2.961 1.00 0.16 H new ATOM 2181 N VAL A 149 -11.335 6.224 0.246 1.00 0.17 N ATOM 2182 CA VAL A 149 -10.894 6.909 1.448 1.00 0.18 C ATOM 2183 C VAL A 149 -10.287 5.932 2.458 1.00 0.17 C ATOM 2184 O VAL A 149 -10.940 5.010 2.938 1.00 0.24 O ATOM 2185 CB VAL A 149 -11.990 7.797 2.102 1.00 0.28 C ATOM 2186 CG1 VAL A 149 -13.074 6.997 2.795 1.00 0.97 C ATOM 2187 CG2 VAL A 149 -11.358 8.782 3.073 1.00 1.12 C ATOM 0 H VAL A 149 -12.196 5.684 0.333 1.00 0.17 H new ATOM 0 HA VAL A 149 -10.113 7.597 1.125 1.00 0.18 H new ATOM 0 HB VAL A 149 -12.476 8.339 1.291 1.00 0.28 H new ATOM 0 HG11 VAL A 149 -13.807 7.677 3.230 1.00 0.97 H new ATOM 0 HG12 VAL A 149 -13.566 6.348 2.071 1.00 0.97 H new ATOM 0 HG13 VAL A 149 -12.630 6.390 3.584 1.00 0.97 H new ATOM 0 HG21 VAL A 149 -12.136 9.398 3.524 1.00 1.12 H new ATOM 0 HG22 VAL A 149 -10.830 8.235 3.854 1.00 1.12 H new ATOM 0 HG23 VAL A 149 -10.655 9.420 2.538 1.00 1.12 H new ATOM 2197 N PRO A 150 -8.977 6.085 2.700 1.00 0.21 N ATOM 2198 CA PRO A 150 -8.243 5.336 3.722 1.00 0.20 C ATOM 2199 C PRO A 150 -8.954 5.376 5.074 1.00 0.23 C ATOM 2200 O PRO A 150 -9.278 6.450 5.586 1.00 0.34 O ATOM 2201 CB PRO A 150 -6.895 6.063 3.827 1.00 0.26 C ATOM 2202 CG PRO A 150 -6.947 7.203 2.860 1.00 0.29 C ATOM 2203 CD PRO A 150 -8.108 6.980 1.950 1.00 0.41 C ATOM 0 HA PRO A 150 -8.151 4.283 3.456 1.00 0.20 H new ATOM 0 HB2 PRO A 150 -6.727 6.423 4.842 1.00 0.26 H new ATOM 0 HB3 PRO A 150 -6.072 5.389 3.588 1.00 0.26 H new ATOM 0 HG2 PRO A 150 -7.055 8.149 3.391 1.00 0.29 H new ATOM 0 HG3 PRO A 150 -6.020 7.261 2.289 1.00 0.29 H new ATOM 0 HD2 PRO A 150 -8.612 7.916 1.709 1.00 0.41 H new ATOM 0 HD3 PRO A 150 -7.795 6.534 1.006 1.00 0.41 H new ATOM 2211 N VAL A 151 -9.187 4.209 5.640 1.00 0.22 N ATOM 2212 CA VAL A 151 -9.877 4.083 6.912 1.00 0.29 C ATOM 2213 C VAL A 151 -8.964 3.397 7.914 1.00 0.32 C ATOM 2214 O VAL A 151 -8.988 3.690 9.107 1.00 0.61 O ATOM 2215 CB VAL A 151 -11.178 3.257 6.763 1.00 0.42 C ATOM 2216 CG1 VAL A 151 -11.984 3.278 8.048 1.00 1.45 C ATOM 2217 CG2 VAL A 151 -12.013 3.762 5.597 1.00 1.13 C ATOM 0 H VAL A 151 -8.903 3.318 5.232 1.00 0.22 H new ATOM 0 HA VAL A 151 -10.139 5.082 7.260 1.00 0.29 H new ATOM 0 HB VAL A 151 -10.896 2.225 6.556 1.00 0.42 H new ATOM 0 HG11 VAL A 151 -12.893 2.691 7.917 1.00 1.45 H new ATOM 0 HG12 VAL A 151 -11.390 2.852 8.857 1.00 1.45 H new ATOM 0 HG13 VAL A 151 -12.249 4.306 8.295 1.00 1.45 H new ATOM 0 HG21 VAL A 151 -12.921 3.165 5.514 1.00 1.13 H new ATOM 0 HG22 VAL A 151 -12.279 4.806 5.765 1.00 1.13 H new ATOM 0 HG23 VAL A 151 -11.438 3.678 4.675 1.00 1.13 H new ATOM 2227 N GLU A 152 -8.132 2.508 7.403 1.00 0.19 N ATOM 2228 CA GLU A 152 -7.224 1.734 8.245 1.00 0.20 C ATOM 2229 C GLU A 152 -5.823 1.752 7.689 1.00 0.20 C ATOM 2230 O GLU A 152 -5.596 2.193 6.569 1.00 0.19 O ATOM 2231 CB GLU A 152 -7.664 0.279 8.340 1.00 0.21 C ATOM 2232 CG GLU A 152 -9.109 0.113 8.724 1.00 0.57 C ATOM 2233 CD GLU A 152 -9.367 0.438 10.178 1.00 0.63 C ATOM 2234 OE1 GLU A 152 -8.507 0.116 11.018 1.00 1.17 O ATOM 2235 OE2 GLU A 152 -10.452 0.963 10.497 1.00 1.17 O ATOM 0 H GLU A 152 -8.063 2.300 6.407 1.00 0.19 H new ATOM 0 HA GLU A 152 -7.245 2.196 9.232 1.00 0.20 H new ATOM 0 HB2 GLU A 152 -7.493 -0.207 7.380 1.00 0.21 H new ATOM 0 HB3 GLU A 152 -7.040 -0.234 9.072 1.00 0.21 H new ATOM 0 HG2 GLU A 152 -9.724 0.759 8.097 1.00 0.57 H new ATOM 0 HG3 GLU A 152 -9.418 -0.913 8.525 1.00 0.57 H new ATOM 2242 N ARG A 153 -4.890 1.311 8.504 1.00 0.23 N ATOM 2243 CA ARG A 153 -3.574 0.939 8.031 1.00 0.24 C ATOM 2244 C ARG A 153 -3.017 -0.213 8.844 1.00 0.25 C ATOM 2245 O ARG A 153 -3.046 -0.205 10.075 1.00 0.39 O ATOM 2246 CB ARG A 153 -2.619 2.127 7.994 1.00 0.36 C ATOM 2247 CG ARG A 153 -1.135 1.766 8.001 1.00 0.40 C ATOM 2248 CD ARG A 153 -0.450 2.365 9.207 1.00 0.47 C ATOM 2249 NE ARG A 153 -0.496 3.825 9.179 1.00 0.65 N ATOM 2250 CZ ARG A 153 0.168 4.612 10.020 1.00 1.51 C ATOM 2251 NH1 ARG A 153 0.937 4.083 10.964 1.00 2.16 N ATOM 2252 NH2 ARG A 153 0.052 5.930 9.931 1.00 1.85 N ATOM 0 H ARG A 153 -5.021 1.200 9.509 1.00 0.23 H new ATOM 0 HA ARG A 153 -3.678 0.599 7.000 1.00 0.24 H new ATOM 0 HB2 ARG A 153 -2.830 2.715 7.101 1.00 0.36 H new ATOM 0 HB3 ARG A 153 -2.826 2.766 8.852 1.00 0.36 H new ATOM 0 HG2 ARG A 153 -1.018 0.682 8.010 1.00 0.40 H new ATOM 0 HG3 ARG A 153 -0.662 2.130 7.089 1.00 0.40 H new ATOM 0 HD2 ARG A 153 -0.929 2.002 10.116 1.00 0.47 H new ATOM 0 HD3 ARG A 153 0.588 2.033 9.239 1.00 0.47 H new ATOM 0 HE ARG A 153 -1.076 4.270 8.467 1.00 0.65 H new ATOM 0 HH11 ARG A 153 1.020 3.070 11.046 1.00 2.16 H new ATOM 0 HH12 ARG A 153 1.445 4.690 11.607 1.00 2.16 H new ATOM 0 HH21 ARG A 153 -0.548 6.342 9.216 1.00 1.85 H new ATOM 0 HH22 ARG A 153 0.562 6.532 10.577 1.00 1.85 H new ATOM 2266 N PHE A 154 -2.501 -1.192 8.130 1.00 0.24 N ATOM 2267 CA PHE A 154 -2.098 -2.451 8.706 1.00 0.22 C ATOM 2268 C PHE A 154 -0.586 -2.571 8.661 1.00 0.24 C ATOM 2269 O PHE A 154 0.060 -1.985 7.800 1.00 0.32 O ATOM 2270 CB PHE A 154 -2.738 -3.594 7.915 1.00 0.22 C ATOM 2271 CG PHE A 154 -4.242 -3.605 7.970 1.00 0.20 C ATOM 2272 CD1 PHE A 154 -4.902 -4.246 9.006 1.00 0.21 C ATOM 2273 CD2 PHE A 154 -4.992 -2.961 6.999 1.00 0.22 C ATOM 2274 CE1 PHE A 154 -6.280 -4.243 9.073 1.00 0.22 C ATOM 2275 CE2 PHE A 154 -6.372 -2.961 7.060 1.00 0.24 C ATOM 2276 CZ PHE A 154 -7.016 -3.647 8.046 1.00 0.22 C ATOM 0 H PHE A 154 -2.349 -1.132 7.123 1.00 0.24 H new ATOM 0 HA PHE A 154 -2.426 -2.503 9.744 1.00 0.22 H new ATOM 0 HB2 PHE A 154 -2.423 -3.524 6.874 1.00 0.22 H new ATOM 0 HB3 PHE A 154 -2.363 -4.543 8.298 1.00 0.22 H new ATOM 0 HD1 PHE A 154 -4.331 -4.754 9.770 1.00 0.21 H new ATOM 0 HD2 PHE A 154 -4.493 -2.454 6.187 1.00 0.22 H new ATOM 0 HE1 PHE A 154 -6.785 -4.698 9.912 1.00 0.22 H new ATOM 0 HE2 PHE A 154 -6.943 -2.415 6.323 1.00 0.24 H new ATOM 0 HZ PHE A 154 -8.093 -3.730 8.033 1.00 0.22 H new ATOM 2286 N SER A 155 -0.028 -3.307 9.600 1.00 0.22 N ATOM 2287 CA SER A 155 1.394 -3.591 9.594 1.00 0.25 C ATOM 2288 C SER A 155 1.696 -4.596 8.486 1.00 0.22 C ATOM 2289 O SER A 155 0.805 -5.325 8.059 1.00 0.26 O ATOM 2290 CB SER A 155 1.812 -4.154 10.962 1.00 0.35 C ATOM 2291 OG SER A 155 3.188 -4.491 10.995 1.00 1.11 O ATOM 0 H SER A 155 -0.539 -3.721 10.380 1.00 0.22 H new ATOM 0 HA SER A 155 1.958 -2.677 9.409 1.00 0.25 H new ATOM 0 HB2 SER A 155 1.599 -3.419 11.738 1.00 0.35 H new ATOM 0 HB3 SER A 155 1.216 -5.038 11.189 1.00 0.35 H new ATOM 0 HG SER A 155 3.705 -3.725 11.321 1.00 1.11 H new ATOM 2297 N PRO A 156 2.936 -4.639 7.975 1.00 0.25 N ATOM 2298 CA PRO A 156 3.355 -5.695 7.053 1.00 0.29 C ATOM 2299 C PRO A 156 3.261 -7.050 7.729 1.00 0.39 C ATOM 2300 O PRO A 156 3.064 -8.077 7.087 1.00 0.78 O ATOM 2301 CB PRO A 156 4.813 -5.356 6.751 1.00 0.34 C ATOM 2302 CG PRO A 156 5.239 -4.463 7.866 1.00 0.36 C ATOM 2303 CD PRO A 156 4.016 -3.681 8.243 1.00 0.33 C ATOM 0 HA PRO A 156 2.736 -5.747 6.157 1.00 0.29 H new ATOM 0 HB2 PRO A 156 5.427 -6.256 6.709 1.00 0.34 H new ATOM 0 HB3 PRO A 156 4.911 -4.858 5.787 1.00 0.34 H new ATOM 0 HG2 PRO A 156 5.611 -5.041 8.712 1.00 0.36 H new ATOM 0 HG3 PRO A 156 6.047 -3.801 7.552 1.00 0.36 H new ATOM 0 HD2 PRO A 156 4.036 -3.373 9.289 1.00 0.33 H new ATOM 0 HD3 PRO A 156 3.913 -2.775 7.646 1.00 0.33 H new ATOM 2311 N GLY A 157 3.451 -7.018 9.038 1.00 0.36 N ATOM 2312 CA GLY A 157 3.243 -8.171 9.883 1.00 0.46 C ATOM 2313 C GLY A 157 1.770 -8.502 10.089 1.00 0.41 C ATOM 2314 O GLY A 157 1.440 -9.467 10.780 1.00 0.50 O ATOM 0 H GLY A 157 3.755 -6.185 9.542 1.00 0.36 H new ATOM 0 HA2 GLY A 157 3.745 -9.032 9.442 1.00 0.46 H new ATOM 0 HA3 GLY A 157 3.708 -7.993 10.852 1.00 0.46 H new ATOM 2318 N ALA A 158 0.876 -7.698 9.515 1.00 0.34 N ATOM 2319 CA ALA A 158 -0.542 -8.028 9.515 1.00 0.31 C ATOM 2320 C ALA A 158 -0.860 -8.778 8.234 1.00 0.34 C ATOM 2321 O ALA A 158 -0.337 -8.443 7.168 1.00 0.50 O ATOM 2322 CB ALA A 158 -1.398 -6.774 9.641 1.00 0.37 C ATOM 0 H ALA A 158 1.109 -6.821 9.049 1.00 0.34 H new ATOM 0 HA ALA A 158 -0.771 -8.656 10.376 1.00 0.31 H new ATOM 0 HB1 ALA A 158 -2.452 -7.051 9.638 1.00 0.37 H new ATOM 0 HB2 ALA A 158 -1.160 -6.263 10.574 1.00 0.37 H new ATOM 0 HB3 ALA A 158 -1.195 -6.109 8.801 1.00 0.37 H new ATOM 2328 N SER A 159 -1.698 -9.793 8.324 1.00 0.26 N ATOM 2329 CA SER A 159 -1.889 -10.676 7.208 1.00 0.30 C ATOM 2330 C SER A 159 -3.305 -10.569 6.659 1.00 0.23 C ATOM 2331 O SER A 159 -4.074 -9.682 7.043 1.00 0.22 O ATOM 2332 CB SER A 159 -1.570 -12.115 7.624 1.00 0.41 C ATOM 2333 OG SER A 159 -1.363 -12.943 6.489 1.00 1.42 O ATOM 0 H SER A 159 -2.249 -10.019 9.152 1.00 0.26 H new ATOM 0 HA SER A 159 -1.207 -10.381 6.411 1.00 0.30 H new ATOM 0 HB2 SER A 159 -0.680 -12.126 8.253 1.00 0.41 H new ATOM 0 HB3 SER A 159 -2.389 -12.513 8.224 1.00 0.41 H new ATOM 0 HG SER A 159 -1.074 -12.393 5.731 1.00 1.42 H new ATOM 2339 N VAL A 160 -3.615 -11.484 5.757 1.00 0.22 N ATOM 2340 CA VAL A 160 -4.874 -11.521 5.030 1.00 0.20 C ATOM 2341 C VAL A 160 -6.068 -11.332 5.963 1.00 0.21 C ATOM 2342 O VAL A 160 -6.922 -10.493 5.713 1.00 0.20 O ATOM 2343 CB VAL A 160 -5.005 -12.880 4.329 1.00 0.24 C ATOM 2344 CG1 VAL A 160 -6.234 -12.932 3.445 1.00 0.28 C ATOM 2345 CG2 VAL A 160 -3.758 -13.198 3.520 1.00 0.26 C ATOM 0 H VAL A 160 -2.982 -12.242 5.503 1.00 0.22 H new ATOM 0 HA VAL A 160 -4.872 -10.706 4.306 1.00 0.20 H new ATOM 0 HB VAL A 160 -5.116 -13.637 5.106 1.00 0.24 H new ATOM 0 HG11 VAL A 160 -6.295 -13.908 2.964 1.00 0.28 H new ATOM 0 HG12 VAL A 160 -7.125 -12.769 4.051 1.00 0.28 H new ATOM 0 HG13 VAL A 160 -6.167 -12.156 2.683 1.00 0.28 H new ATOM 0 HG21 VAL A 160 -3.877 -14.166 3.034 1.00 0.26 H new ATOM 0 HG22 VAL A 160 -3.609 -12.428 2.763 1.00 0.26 H new ATOM 0 HG23 VAL A 160 -2.893 -13.229 4.182 1.00 0.26 H new ATOM 2355 N LYS A 161 -6.096 -12.094 7.051 1.00 0.26 N ATOM 2356 CA LYS A 161 -7.225 -12.085 7.977 1.00 0.31 C ATOM 2357 C LYS A 161 -7.331 -10.754 8.701 1.00 0.26 C ATOM 2358 O LYS A 161 -8.427 -10.221 8.888 1.00 0.27 O ATOM 2359 CB LYS A 161 -7.079 -13.225 8.989 1.00 0.45 C ATOM 2360 CG LYS A 161 -8.039 -13.145 10.167 1.00 1.12 C ATOM 2361 CD LYS A 161 -7.967 -14.402 11.020 1.00 1.80 C ATOM 2362 CE LYS A 161 -8.699 -14.235 12.341 1.00 2.67 C ATOM 2363 NZ LYS A 161 -10.079 -13.711 12.159 1.00 3.46 N ATOM 0 H LYS A 161 -5.344 -12.731 7.315 1.00 0.26 H new ATOM 0 HA LYS A 161 -8.139 -12.229 7.401 1.00 0.31 H new ATOM 0 HB2 LYS A 161 -7.232 -14.174 8.474 1.00 0.45 H new ATOM 0 HB3 LYS A 161 -6.057 -13.230 9.368 1.00 0.45 H new ATOM 0 HG2 LYS A 161 -7.799 -12.274 10.777 1.00 1.12 H new ATOM 0 HG3 LYS A 161 -9.057 -13.008 9.802 1.00 1.12 H new ATOM 0 HD2 LYS A 161 -8.398 -15.239 10.470 1.00 1.80 H new ATOM 0 HD3 LYS A 161 -6.923 -14.650 11.213 1.00 1.80 H new ATOM 0 HE2 LYS A 161 -8.742 -15.196 12.854 1.00 2.67 H new ATOM 0 HE3 LYS A 161 -8.137 -13.556 12.982 1.00 2.67 H new ATOM 0 HZ1 LYS A 161 -10.606 -13.804 13.051 1.00 3.46 H new ATOM 0 HZ2 LYS A 161 -10.036 -12.709 11.885 1.00 3.46 H new ATOM 0 HZ3 LYS A 161 -10.561 -14.253 11.414 1.00 3.46 H new ATOM 2377 N ASP A 162 -6.184 -10.212 9.077 1.00 0.26 N ATOM 2378 CA ASP A 162 -6.133 -8.972 9.833 1.00 0.27 C ATOM 2379 C ASP A 162 -6.688 -7.836 9.000 1.00 0.22 C ATOM 2380 O ASP A 162 -7.373 -6.949 9.504 1.00 0.26 O ATOM 2381 CB ASP A 162 -4.694 -8.657 10.241 1.00 0.33 C ATOM 2382 CG ASP A 162 -4.053 -9.768 11.045 1.00 0.78 C ATOM 2383 OD1 ASP A 162 -4.436 -9.963 12.217 1.00 0.86 O ATOM 2384 OD2 ASP A 162 -3.157 -10.453 10.508 1.00 1.40 O ATOM 0 H ASP A 162 -5.270 -10.615 8.869 1.00 0.26 H new ATOM 0 HA ASP A 162 -6.737 -9.087 10.733 1.00 0.27 H new ATOM 0 HB2 ASP A 162 -4.100 -8.474 9.346 1.00 0.33 H new ATOM 0 HB3 ASP A 162 -4.681 -7.738 10.826 1.00 0.33 H new ATOM 2389 N ILE A 163 -6.390 -7.887 7.716 1.00 0.18 N ATOM 2390 CA ILE A 163 -6.842 -6.883 6.774 1.00 0.15 C ATOM 2391 C ILE A 163 -8.286 -7.126 6.358 1.00 0.14 C ATOM 2392 O ILE A 163 -9.102 -6.202 6.381 1.00 0.15 O ATOM 2393 CB ILE A 163 -5.934 -6.866 5.527 1.00 0.14 C ATOM 2394 CG1 ILE A 163 -4.541 -6.337 5.892 1.00 0.15 C ATOM 2395 CG2 ILE A 163 -6.559 -6.033 4.415 1.00 0.15 C ATOM 2396 CD1 ILE A 163 -3.527 -6.477 4.780 1.00 0.21 C ATOM 0 H ILE A 163 -5.827 -8.627 7.297 1.00 0.18 H new ATOM 0 HA ILE A 163 -6.787 -5.914 7.271 1.00 0.15 H new ATOM 0 HB ILE A 163 -5.829 -7.887 5.160 1.00 0.14 H new ATOM 0 HG12 ILE A 163 -4.622 -5.285 6.167 1.00 0.15 H new ATOM 0 HG13 ILE A 163 -4.179 -6.870 6.771 1.00 0.15 H new ATOM 0 HG21 ILE A 163 -5.902 -6.035 3.546 1.00 0.15 H new ATOM 0 HG22 ILE A 163 -7.525 -6.458 4.141 1.00 0.15 H new ATOM 0 HG23 ILE A 163 -6.699 -5.009 4.762 1.00 0.15 H new ATOM 0 HD11 ILE A 163 -2.567 -6.082 5.111 1.00 0.21 H new ATOM 0 HD12 ILE A 163 -3.416 -7.530 4.519 1.00 0.21 H new ATOM 0 HD13 ILE A 163 -3.866 -5.921 3.906 1.00 0.21 H new ATOM 2408 N GLU A 164 -8.603 -8.368 6.001 1.00 0.13 N ATOM 2409 CA GLU A 164 -9.933 -8.707 5.508 1.00 0.13 C ATOM 2410 C GLU A 164 -11.015 -8.277 6.481 1.00 0.15 C ATOM 2411 O GLU A 164 -12.055 -7.794 6.078 1.00 0.15 O ATOM 2412 CB GLU A 164 -10.106 -10.206 5.290 1.00 0.14 C ATOM 2413 CG GLU A 164 -9.476 -10.753 4.034 1.00 0.20 C ATOM 2414 CD GLU A 164 -9.916 -12.173 3.762 1.00 0.30 C ATOM 2415 OE1 GLU A 164 -11.043 -12.364 3.271 1.00 0.60 O ATOM 2416 OE2 GLU A 164 -9.141 -13.110 4.032 1.00 0.67 O ATOM 0 H GLU A 164 -7.956 -9.156 6.044 1.00 0.13 H new ATOM 0 HA GLU A 164 -10.030 -8.177 4.560 1.00 0.13 H new ATOM 0 HB2 GLU A 164 -9.684 -10.732 6.147 1.00 0.14 H new ATOM 0 HB3 GLU A 164 -11.172 -10.433 5.270 1.00 0.14 H new ATOM 0 HG2 GLU A 164 -9.743 -10.121 3.187 1.00 0.20 H new ATOM 0 HG3 GLU A 164 -8.390 -10.720 4.127 1.00 0.20 H new ATOM 2423 N GLU A 165 -10.772 -8.465 7.761 1.00 0.18 N ATOM 2424 CA GLU A 165 -11.778 -8.168 8.772 1.00 0.21 C ATOM 2425 C GLU A 165 -12.195 -6.699 8.732 1.00 0.21 C ATOM 2426 O GLU A 165 -13.264 -6.337 9.220 1.00 0.27 O ATOM 2427 CB GLU A 165 -11.264 -8.525 10.167 1.00 0.27 C ATOM 2428 CG GLU A 165 -10.200 -7.577 10.693 1.00 0.47 C ATOM 2429 CD GLU A 165 -9.823 -7.866 12.129 1.00 0.66 C ATOM 2430 OE1 GLU A 165 -10.511 -7.360 13.040 1.00 0.87 O ATOM 2431 OE2 GLU A 165 -8.836 -8.593 12.357 1.00 0.83 O ATOM 0 H GLU A 165 -9.890 -8.821 8.131 1.00 0.18 H new ATOM 0 HA GLU A 165 -12.654 -8.777 8.549 1.00 0.21 H new ATOM 0 HB2 GLU A 165 -12.104 -8.534 10.862 1.00 0.27 H new ATOM 0 HB3 GLU A 165 -10.857 -9.536 10.146 1.00 0.27 H new ATOM 0 HG2 GLU A 165 -9.311 -7.650 10.066 1.00 0.47 H new ATOM 0 HG3 GLU A 165 -10.562 -6.552 10.615 1.00 0.47 H new ATOM 2438 N LYS A 166 -11.348 -5.855 8.159 1.00 0.19 N ATOM 2439 CA LYS A 166 -11.680 -4.454 7.986 1.00 0.20 C ATOM 2440 C LYS A 166 -12.045 -4.183 6.531 1.00 0.19 C ATOM 2441 O LYS A 166 -12.787 -3.252 6.218 1.00 0.25 O ATOM 2442 CB LYS A 166 -10.519 -3.564 8.444 1.00 0.25 C ATOM 2443 CG LYS A 166 -10.102 -3.820 9.888 1.00 0.38 C ATOM 2444 CD LYS A 166 -11.262 -3.615 10.856 1.00 0.58 C ATOM 2445 CE LYS A 166 -11.536 -2.142 11.112 1.00 1.09 C ATOM 2446 NZ LYS A 166 -10.508 -1.529 11.997 1.00 1.71 N ATOM 0 H LYS A 166 -10.428 -6.119 7.807 1.00 0.19 H new ATOM 0 HA LYS A 166 -12.544 -4.214 8.606 1.00 0.20 H new ATOM 0 HB2 LYS A 166 -9.663 -3.729 7.790 1.00 0.25 H new ATOM 0 HB3 LYS A 166 -10.806 -2.518 8.335 1.00 0.25 H new ATOM 0 HG2 LYS A 166 -9.725 -4.838 9.983 1.00 0.38 H new ATOM 0 HG3 LYS A 166 -9.284 -3.151 10.154 1.00 0.38 H new ATOM 0 HD2 LYS A 166 -12.158 -4.086 10.453 1.00 0.58 H new ATOM 0 HD3 LYS A 166 -11.039 -4.112 11.800 1.00 0.58 H new ATOM 0 HE2 LYS A 166 -11.562 -1.608 10.162 1.00 1.09 H new ATOM 0 HE3 LYS A 166 -12.520 -2.030 11.568 1.00 1.09 H new ATOM 0 HZ1 LYS A 166 -10.786 -0.554 12.228 1.00 1.71 H new ATOM 0 HZ2 LYS A 166 -10.429 -2.084 12.873 1.00 1.71 H new ATOM 0 HZ3 LYS A 166 -9.590 -1.520 11.509 1.00 1.71 H new ATOM 2460 N LEU A 167 -11.538 -5.045 5.663 1.00 0.15 N ATOM 2461 CA LEU A 167 -11.744 -4.948 4.226 1.00 0.15 C ATOM 2462 C LEU A 167 -13.114 -5.475 3.805 1.00 0.15 C ATOM 2463 O LEU A 167 -13.858 -4.803 3.093 1.00 0.16 O ATOM 2464 CB LEU A 167 -10.673 -5.762 3.509 1.00 0.13 C ATOM 2465 CG LEU A 167 -11.006 -6.095 2.064 1.00 0.14 C ATOM 2466 CD1 LEU A 167 -10.838 -4.870 1.188 1.00 0.16 C ATOM 2467 CD2 LEU A 167 -10.160 -7.248 1.566 1.00 0.16 C ATOM 0 H LEU A 167 -10.965 -5.842 5.940 1.00 0.15 H new ATOM 0 HA LEU A 167 -11.685 -3.893 3.957 1.00 0.15 H new ATOM 0 HB2 LEU A 167 -9.734 -5.209 3.535 1.00 0.13 H new ATOM 0 HB3 LEU A 167 -10.512 -6.691 4.056 1.00 0.13 H new ATOM 0 HG LEU A 167 -12.049 -6.407 2.013 1.00 0.14 H new ATOM 0 HD11 LEU A 167 -11.080 -5.125 0.156 1.00 0.16 H new ATOM 0 HD12 LEU A 167 -11.506 -4.081 1.534 1.00 0.16 H new ATOM 0 HD13 LEU A 167 -9.807 -4.522 1.243 1.00 0.16 H new ATOM 0 HD21 LEU A 167 -10.417 -7.467 0.530 1.00 0.16 H new ATOM 0 HD22 LEU A 167 -9.105 -6.979 1.629 1.00 0.16 H new ATOM 0 HD23 LEU A 167 -10.347 -8.129 2.180 1.00 0.16 H new ATOM 2479 N ILE A 168 -13.410 -6.693 4.237 1.00 0.16 N ATOM 2480 CA ILE A 168 -14.621 -7.403 3.850 1.00 0.19 C ATOM 2481 C ILE A 168 -15.878 -6.574 4.112 1.00 0.22 C ATOM 2482 O ILE A 168 -16.758 -6.518 3.255 1.00 0.25 O ATOM 2483 CB ILE A 168 -14.729 -8.767 4.563 1.00 0.20 C ATOM 2484 CG1 ILE A 168 -13.517 -9.641 4.215 1.00 0.19 C ATOM 2485 CG2 ILE A 168 -16.023 -9.478 4.188 1.00 0.26 C ATOM 2486 CD1 ILE A 168 -13.499 -10.966 4.945 1.00 0.24 C ATOM 0 H ILE A 168 -12.811 -7.221 4.872 1.00 0.16 H new ATOM 0 HA ILE A 168 -14.548 -7.577 2.776 1.00 0.19 H new ATOM 0 HB ILE A 168 -14.741 -8.592 5.639 1.00 0.20 H new ATOM 0 HG12 ILE A 168 -13.509 -9.827 3.141 1.00 0.19 H new ATOM 0 HG13 ILE A 168 -12.604 -9.093 4.450 1.00 0.19 H new ATOM 0 HG21 ILE A 168 -16.074 -10.437 4.704 1.00 0.26 H new ATOM 0 HG22 ILE A 168 -16.874 -8.863 4.480 1.00 0.26 H new ATOM 0 HG23 ILE A 168 -16.048 -9.644 3.111 1.00 0.26 H new ATOM 0 HD11 ILE A 168 -12.615 -11.532 4.651 1.00 0.24 H new ATOM 0 HD12 ILE A 168 -13.475 -10.789 6.020 1.00 0.24 H new ATOM 0 HD13 ILE A 168 -14.394 -11.534 4.691 1.00 0.24 H new ATOM 2498 N PRO A 169 -15.997 -5.923 5.291 1.00 0.24 N ATOM 2499 CA PRO A 169 -17.081 -4.975 5.545 1.00 0.29 C ATOM 2500 C PRO A 169 -17.235 -3.958 4.417 1.00 0.29 C ATOM 2501 O PRO A 169 -18.338 -3.713 3.952 1.00 0.41 O ATOM 2502 CB PRO A 169 -16.644 -4.286 6.835 1.00 0.34 C ATOM 2503 CG PRO A 169 -15.857 -5.320 7.553 1.00 0.40 C ATOM 2504 CD PRO A 169 -15.146 -6.105 6.486 1.00 0.24 C ATOM 0 HA PRO A 169 -18.051 -5.466 5.616 1.00 0.29 H new ATOM 0 HB2 PRO A 169 -16.043 -3.400 6.629 1.00 0.34 H new ATOM 0 HB3 PRO A 169 -17.502 -3.960 7.422 1.00 0.34 H new ATOM 0 HG2 PRO A 169 -15.146 -4.863 8.242 1.00 0.40 H new ATOM 0 HG3 PRO A 169 -16.506 -5.964 8.146 1.00 0.40 H new ATOM 0 HD2 PRO A 169 -14.136 -5.730 6.319 1.00 0.24 H new ATOM 0 HD3 PRO A 169 -15.055 -7.157 6.756 1.00 0.24 H new ATOM 2512 N LEU A 170 -16.126 -3.403 3.946 1.00 0.22 N ATOM 2513 CA LEU A 170 -16.180 -2.404 2.887 1.00 0.22 C ATOM 2514 C LEU A 170 -16.488 -3.030 1.527 1.00 0.20 C ATOM 2515 O LEU A 170 -17.269 -2.470 0.757 1.00 0.23 O ATOM 2516 CB LEU A 170 -14.885 -1.595 2.811 1.00 0.24 C ATOM 2517 CG LEU A 170 -14.706 -0.523 3.878 1.00 0.33 C ATOM 2518 CD1 LEU A 170 -13.326 0.104 3.751 1.00 0.71 C ATOM 2519 CD2 LEU A 170 -15.790 0.537 3.742 1.00 0.69 C ATOM 0 H LEU A 170 -15.187 -3.625 4.276 1.00 0.22 H new ATOM 0 HA LEU A 170 -16.996 -1.727 3.141 1.00 0.22 H new ATOM 0 HB2 LEU A 170 -14.044 -2.286 2.873 1.00 0.24 H new ATOM 0 HB3 LEU A 170 -14.834 -1.118 1.832 1.00 0.24 H new ATOM 0 HG LEU A 170 -14.794 -0.980 4.864 1.00 0.33 H new ATOM 0 HD11 LEU A 170 -13.203 0.870 4.516 1.00 0.71 H new ATOM 0 HD12 LEU A 170 -12.564 -0.664 3.881 1.00 0.71 H new ATOM 0 HD13 LEU A 170 -13.221 0.556 2.765 1.00 0.71 H new ATOM 0 HD21 LEU A 170 -15.653 1.299 4.510 1.00 0.69 H new ATOM 0 HD22 LEU A 170 -15.726 0.999 2.757 1.00 0.69 H new ATOM 0 HD23 LEU A 170 -16.769 0.073 3.862 1.00 0.69 H new ATOM 2531 N LEU A 171 -15.861 -4.166 1.216 1.00 0.18 N ATOM 2532 CA LEU A 171 -16.145 -4.866 -0.043 1.00 0.20 C ATOM 2533 C LEU A 171 -17.603 -5.263 -0.086 1.00 0.27 C ATOM 2534 O LEU A 171 -18.345 -4.939 -1.016 1.00 0.34 O ATOM 2535 CB LEU A 171 -15.317 -6.147 -0.181 1.00 0.26 C ATOM 2536 CG LEU A 171 -13.818 -5.951 -0.294 1.00 0.17 C ATOM 2537 CD1 LEU A 171 -13.111 -7.290 -0.393 1.00 0.26 C ATOM 2538 CD2 LEU A 171 -13.489 -5.093 -1.501 1.00 0.31 C ATOM 0 H LEU A 171 -15.163 -4.617 1.807 1.00 0.18 H new ATOM 0 HA LEU A 171 -15.892 -4.183 -0.854 1.00 0.20 H new ATOM 0 HB2 LEU A 171 -15.518 -6.782 0.682 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -15.662 -6.688 -1.062 1.00 0.26 H new ATOM 0 HG LEU A 171 -13.469 -5.442 0.604 1.00 0.17 H new ATOM 0 HD11 LEU A 171 -12.036 -7.129 -0.473 1.00 0.26 H new ATOM 0 HD12 LEU A 171 -13.324 -7.881 0.498 1.00 0.26 H new ATOM 0 HD13 LEU A 171 -13.465 -7.824 -1.275 1.00 0.26 H new ATOM 0 HD21 LEU A 171 -12.409 -4.960 -1.570 1.00 0.31 H new ATOM 0 HD22 LEU A 171 -13.853 -5.582 -2.405 1.00 0.31 H new ATOM 0 HD23 LEU A 171 -13.968 -4.119 -1.397 1.00 0.31 H new ATOM 2550 N GLY A 172 -17.980 -5.974 0.951 1.00 0.29 N ATOM 2551 CA GLY A 172 -19.296 -6.537 1.057 1.00 0.39 C ATOM 2552 C GLY A 172 -20.402 -5.504 1.208 1.00 0.66 C ATOM 2553 O GLY A 172 -21.268 -5.389 0.336 1.00 1.12 O ATOM 0 H GLY A 172 -17.375 -6.176 1.747 1.00 0.29 H new ATOM 0 HA2 GLY A 172 -19.494 -7.139 0.171 1.00 0.39 H new ATOM 0 HA3 GLY A 172 -19.323 -7.211 1.913 1.00 0.39 H new ATOM 2557 N SER A 173 -20.370 -4.742 2.295 1.00 0.85 N ATOM 2558 CA SER A 173 -21.463 -3.834 2.624 1.00 1.33 C ATOM 2559 C SER A 173 -21.033 -2.878 3.735 1.00 1.84 C ATOM 2560 O SER A 173 -21.073 -3.225 4.918 1.00 2.43 O ATOM 2561 CB SER A 173 -22.691 -4.646 3.062 1.00 2.03 C ATOM 2562 OG SER A 173 -23.861 -3.845 3.121 1.00 2.64 O ATOM 0 H SER A 173 -19.600 -4.735 2.963 1.00 0.85 H new ATOM 0 HA SER A 173 -21.722 -3.246 1.743 1.00 1.33 H new ATOM 0 HB2 SER A 173 -22.849 -5.469 2.365 1.00 2.03 H new ATOM 0 HB3 SER A 173 -22.504 -5.088 4.041 1.00 2.03 H new ATOM 0 HG SER A 173 -24.621 -4.396 3.402 1.00 2.64 H new ATOM 2568 N ALA A 174 -20.620 -1.677 3.342 1.00 2.40 N ATOM 2569 CA ALA A 174 -20.091 -0.692 4.283 1.00 3.35 C ATOM 2570 C ALA A 174 -21.144 -0.297 5.315 1.00 3.69 C ATOM 2571 O ALA A 174 -20.823 -0.137 6.494 1.00 4.35 O ATOM 2572 CB ALA A 174 -19.597 0.529 3.529 1.00 4.30 C ATOM 0 H ALA A 174 -20.641 -1.360 2.373 1.00 2.40 H new ATOM 0 HA ALA A 174 -19.254 -1.140 4.818 1.00 3.35 H new ATOM 0 HB1 ALA A 174 -19.204 1.259 4.236 1.00 4.30 H new ATOM 0 HB2 ALA A 174 -18.809 0.234 2.836 1.00 4.30 H new ATOM 0 HB3 ALA A 174 -20.423 0.972 2.972 1.00 4.30 H new ATOM 2578 N ARG A 175 -22.389 -0.149 4.860 1.00 3.66 N ATOM 2579 CA ARG A 175 -23.525 0.131 5.741 1.00 4.44 C ATOM 2580 C ARG A 175 -23.398 1.496 6.422 1.00 4.81 C ATOM 2581 O ARG A 175 -22.818 1.620 7.503 1.00 5.15 O ATOM 2582 CB ARG A 175 -23.684 -0.986 6.781 1.00 5.16 C ATOM 2583 CG ARG A 175 -24.866 -0.802 7.718 1.00 5.82 C ATOM 2584 CD ARG A 175 -25.112 -2.053 8.545 1.00 6.62 C ATOM 2585 NE ARG A 175 -23.980 -2.386 9.414 1.00 7.03 N ATOM 2586 CZ ARG A 175 -23.678 -3.625 9.810 1.00 7.84 C ATOM 2587 NH1 ARG A 175 -24.426 -4.654 9.421 1.00 8.30 N ATOM 2588 NH2 ARG A 175 -22.636 -3.836 10.607 1.00 8.45 N ATOM 0 H ARG A 175 -22.638 -0.219 3.873 1.00 3.66 H new ATOM 0 HA ARG A 175 -24.422 0.164 5.122 1.00 4.44 H new ATOM 0 HB2 ARG A 175 -23.792 -1.938 6.261 1.00 5.16 H new ATOM 0 HB3 ARG A 175 -22.771 -1.048 7.374 1.00 5.16 H new ATOM 0 HG2 ARG A 175 -24.680 0.044 8.380 1.00 5.82 H new ATOM 0 HG3 ARG A 175 -25.759 -0.564 7.139 1.00 5.82 H new ATOM 0 HD2 ARG A 175 -26.004 -1.911 9.155 1.00 6.62 H new ATOM 0 HD3 ARG A 175 -25.312 -2.891 7.878 1.00 6.62 H new ATOM 0 HE ARG A 175 -23.385 -1.623 9.737 1.00 7.03 H new ATOM 0 HH11 ARG A 175 -25.234 -4.498 8.818 1.00 8.30 H new ATOM 0 HH12 ARG A 175 -24.192 -5.599 9.726 1.00 8.30 H new ATOM 0 HH21 ARG A 175 -22.064 -3.050 10.918 1.00 8.45 H new ATOM 0 HH22 ARG A 175 -22.408 -4.783 10.908 1.00 8.45 H new ATOM 2602 N LEU A 176 -23.946 2.515 5.772 1.00 5.22 N ATOM 2603 CA LEU A 176 -23.947 3.876 6.310 1.00 6.05 C ATOM 2604 C LEU A 176 -25.368 4.431 6.301 1.00 6.72 C ATOM 2605 O LEU A 176 -25.665 5.301 5.455 1.00 7.14 O ATOM 2606 CB LEU A 176 -23.032 4.813 5.493 1.00 6.60 C ATOM 2607 CG LEU A 176 -21.516 4.592 5.618 1.00 7.19 C ATOM 2608 CD1 LEU A 176 -21.105 4.421 7.072 1.00 7.69 C ATOM 2609 CD2 LEU A 176 -21.064 3.409 4.779 1.00 7.60 C ATOM 2610 OXT LEU A 176 -26.199 3.960 7.104 1.00 7.13 O ATOM 0 H LEU A 176 -24.400 2.426 4.863 1.00 5.22 H new ATOM 0 HA LEU A 176 -23.565 3.830 7.330 1.00 6.05 H new ATOM 0 HB2 LEU A 176 -23.302 4.718 4.441 1.00 6.60 H new ATOM 0 HB3 LEU A 176 -23.250 5.840 5.787 1.00 6.60 H new ATOM 0 HG LEU A 176 -21.018 5.482 5.234 1.00 7.19 H new ATOM 0 HD11 LEU A 176 -20.028 4.266 7.130 1.00 7.69 H new ATOM 0 HD12 LEU A 176 -21.374 5.316 7.634 1.00 7.69 H new ATOM 0 HD13 LEU A 176 -21.619 3.558 7.496 1.00 7.69 H new ATOM 0 HD21 LEU A 176 -19.987 3.277 4.887 1.00 7.60 H new ATOM 0 HD22 LEU A 176 -21.576 2.508 5.115 1.00 7.60 H new ATOM 0 HD23 LEU A 176 -21.304 3.593 3.732 1.00 7.60 H new TER 2622 LEU A 176