USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1167 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 99 MET CE :methyl -126:sc= -3.48! (180deg=-4.42!) USER MOD Set 1.2: A 118 MET CE :methyl -116:sc= -7.31 (180deg=-14.3!) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -8.14! C(o=-13!,f=-8.2!) USER MOD Set 2.2: A 112 THR OG1 : rot 180:sc= -0.0494 USER MOD Set 3.1: A 31 SER OG : rot 175:sc= 0.867 USER MOD Set 3.2: A 62 THR OG1 : rot 85:sc= 1.63 USER MOD Set 4.1: A 42 THR OG1 : rot 69:sc= -3.33! USER MOD Set 4.2: A 55 ASN :FLIP amide:sc= -4.96! C(o=-12!,f=-8.3!) USER MOD Single : A 1 THR N :NH3+ -172:sc= 1.34 (180deg=1.26) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 9 SER OG : rot 8:sc= -1.62! USER MOD Single : A 10 ASN :FLIP amide:sc= -4.15! C(o=-5.6!,f=-4.2!) USER MOD Single : A 13 SER OG : rot -59:sc= 0.238 USER MOD Single : A 17 GLN : amide:sc= -4.09! C(o=-4.1!,f=-7.1!) USER MOD Single : A 19 ASN :FLIP amide:sc= -3.94! C(o=-9!,f=-3.9!) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0194 (180deg=-0.214) USER MOD Single : A 32 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.0083) USER MOD Single : A 35 THR OG1 : rot 152:sc= -4.38! USER MOD Single : A 37 SER OG : rot 180:sc= -0.259 USER MOD Single : A 38 SER OG : rot 130:sc= 0 USER MOD Single : A 40 TYR OH : rot 130:sc= -0.227 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.994 F(o=-4.1!,f=-0.99) USER MOD Single : A 50 GLN : amide:sc= -3.1 X(o=-3.1,f=-2.8) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.53 F(o=-1.2,f=-0.53) USER MOD Single : A 72 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-2.5!) USER MOD Single : A 73 THR OG1 : rot -82:sc= -0.0942 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.172 F(o=-4.6!,f=-0.17) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.919 K(o=-0.92,f=-3!) USER MOD Single : A 93 THR OG1 : rot -18:sc= 0.101 USER MOD Single : A 103 ASN :FLIP amide:sc= -4.43! C(o=-6.2!,f=-4.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-7.7!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -168:sc= -0.025 (180deg=-0.228) USER MOD Single : A 120 ASN : amide:sc=-0.00586 X(o=-0.0059,f=0) USER MOD Single : A 124 MET CE :methyl -139:sc= -3.56 (180deg=-9.97!) USER MOD Single : A 142 MET CE :methyl -161:sc= -0.145 (180deg=-0.727) USER MOD Single : A 145 GLN :FLIP amide:sc= -0.988 F(o=-2.7,f=-0.99) USER MOD Single : A 148 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.0094) USER MOD Single : A 149 THR OG1 : rot -99:sc= 1.16 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -0.429 K(o=-0.43,f=-2!) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.473 -9.692 -14.385 1.00 0.82 N ATOM 2 CA THR A 1 3.320 -10.117 -13.548 1.00 0.59 C ATOM 3 C THR A 1 2.628 -8.923 -12.899 1.00 0.52 C ATOM 4 O THR A 1 3.279 -8.056 -12.311 1.00 0.52 O ATOM 5 CB THR A 1 3.822 -11.076 -12.469 1.00 0.64 C ATOM 6 OG1 THR A 1 4.400 -12.230 -13.050 1.00 0.92 O ATOM 7 CG2 THR A 1 2.732 -11.533 -11.522 1.00 0.62 C ATOM 0 H1 THR A 1 4.836 -10.509 -14.917 1.00 0.82 H new ATOM 0 H2 THR A 1 4.166 -8.954 -15.051 1.00 0.82 H new ATOM 0 H3 THR A 1 5.225 -9.315 -13.774 1.00 0.82 H new ATOM 0 HA THR A 1 2.589 -10.613 -14.187 1.00 0.59 H new ATOM 0 HB THR A 1 4.561 -10.510 -11.902 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.716 -12.829 -12.342 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.155 -12.211 -10.781 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.301 -10.668 -11.018 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.954 -12.049 -12.085 1.00 0.62 H new ATOM 17 N VAL A 2 1.304 -8.898 -12.998 1.00 0.54 N ATOM 18 CA VAL A 2 0.514 -7.826 -12.407 1.00 0.54 C ATOM 19 C VAL A 2 0.427 -8.003 -10.895 1.00 0.44 C ATOM 20 O VAL A 2 -0.314 -8.849 -10.393 1.00 0.45 O ATOM 21 CB VAL A 2 -0.902 -7.773 -13.012 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.548 -9.149 -12.990 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.766 -6.759 -12.275 1.00 1.42 C ATOM 0 H VAL A 2 0.755 -9.608 -13.482 1.00 0.54 H new ATOM 0 HA VAL A 2 1.014 -6.884 -12.630 1.00 0.54 H new ATOM 0 HB VAL A 2 -0.816 -7.454 -14.051 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.547 -9.089 -13.422 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -0.943 -9.844 -13.571 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -1.618 -9.502 -11.961 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.761 -6.738 -12.719 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -1.843 -7.041 -11.225 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -1.313 -5.770 -12.353 1.00 1.42 H new ATOM 33 N ALA A 3 1.199 -7.201 -10.173 1.00 0.43 N ATOM 34 CA ALA A 3 1.221 -7.272 -8.720 1.00 0.40 C ATOM 35 C ALA A 3 0.470 -6.103 -8.098 1.00 0.33 C ATOM 36 O ALA A 3 0.567 -4.965 -8.567 1.00 0.37 O ATOM 37 CB ALA A 3 2.658 -7.307 -8.225 1.00 0.48 C ATOM 0 H ALA A 3 1.818 -6.494 -10.571 1.00 0.43 H new ATOM 0 HA ALA A 3 0.717 -8.189 -8.415 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.667 -7.360 -7.136 1.00 0.48 H new ATOM 0 HB2 ALA A 3 3.163 -8.182 -8.635 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.176 -6.404 -8.548 1.00 0.48 H new ATOM 43 N TYR A 4 -0.285 -6.388 -7.041 1.00 0.38 N ATOM 44 CA TYR A 4 -1.059 -5.358 -6.359 1.00 0.48 C ATOM 45 C TYR A 4 -0.310 -4.818 -5.148 1.00 0.46 C ATOM 46 O TYR A 4 -0.258 -5.462 -4.102 1.00 0.72 O ATOM 47 CB TYR A 4 -2.424 -5.906 -5.935 1.00 0.79 C ATOM 48 CG TYR A 4 -3.329 -6.258 -7.099 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.914 -7.155 -8.074 1.00 3.01 C ATOM 50 CD2 TYR A 4 -4.594 -5.696 -7.223 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.733 -7.482 -9.139 1.00 4.21 C ATOM 52 CE2 TYR A 4 -5.418 -6.018 -8.283 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.994 -6.894 -9.234 1.00 4.50 C ATOM 54 OH TYR A 4 -5.802 -7.236 -10.294 1.00 5.73 O ATOM 0 H TYR A 4 -0.377 -7.321 -6.640 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.211 -4.536 -7.059 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.274 -6.794 -5.322 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.924 -5.167 -5.309 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.935 -7.605 -7.999 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -4.939 -4.995 -6.477 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -3.400 -8.185 -9.889 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -6.400 -5.574 -8.357 1.00 3.83 H new ATOM 0 HH TYR A 4 -5.605 -8.155 -10.572 1.00 5.73 H new ATOM 64 N ILE A 5 0.277 -3.634 -5.310 1.00 0.40 N ATOM 65 CA ILE A 5 1.041 -2.985 -4.249 1.00 0.45 C ATOM 66 C ILE A 5 0.170 -2.022 -3.445 1.00 0.44 C ATOM 67 O ILE A 5 -0.588 -1.235 -4.009 1.00 0.57 O ATOM 68 CB ILE A 5 2.233 -2.203 -4.836 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.638 -2.813 -6.184 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.399 -2.212 -3.857 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.882 -2.206 -6.781 1.00 0.79 C ATOM 0 H ILE A 5 0.236 -3.100 -6.178 1.00 0.40 H new ATOM 0 HA ILE A 5 1.405 -3.772 -3.589 1.00 0.45 H new ATOM 0 HB ILE A 5 1.941 -1.166 -5.001 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.794 -3.884 -6.055 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.814 -2.694 -6.888 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.235 -1.657 -4.282 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.092 -1.745 -2.921 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.706 -3.240 -3.666 1.00 0.93 H new ATOM 0 HD11 ILE A 5 4.103 -2.690 -7.732 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.724 -1.140 -6.944 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.720 -2.348 -6.099 1.00 0.79 H new ATOM 83 N ALA A 6 0.275 -2.092 -2.124 1.00 0.48 N ATOM 84 CA ALA A 6 -0.514 -1.228 -1.254 1.00 0.51 C ATOM 85 C ALA A 6 0.335 -0.126 -0.627 1.00 0.46 C ATOM 86 O ALA A 6 1.216 -0.404 0.185 1.00 0.58 O ATOM 87 CB ALA A 6 -1.181 -2.059 -0.167 1.00 0.71 C ATOM 0 H ALA A 6 0.896 -2.735 -1.633 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.277 -0.746 -1.865 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -1.769 -1.408 0.480 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -1.835 -2.801 -0.626 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -0.418 -2.564 0.425 1.00 0.71 H new ATOM 93 N ILE A 7 0.056 1.130 -0.997 1.00 0.44 N ATOM 94 CA ILE A 7 0.793 2.268 -0.449 1.00 0.43 C ATOM 95 C ILE A 7 0.063 2.859 0.753 1.00 0.49 C ATOM 96 O ILE A 7 -1.160 3.001 0.738 1.00 0.58 O ATOM 97 CB ILE A 7 1.014 3.375 -1.504 1.00 0.47 C ATOM 98 CG1 ILE A 7 1.943 2.877 -2.616 1.00 1.19 C ATOM 99 CG2 ILE A 7 1.583 4.630 -0.850 1.00 1.41 C ATOM 100 CD1 ILE A 7 2.246 3.922 -3.671 1.00 1.42 C ATOM 0 H ILE A 7 -0.670 1.380 -1.669 1.00 0.44 H new ATOM 0 HA ILE A 7 1.767 1.890 -0.136 1.00 0.43 H new ATOM 0 HB ILE A 7 0.051 3.627 -1.948 1.00 0.47 H new ATOM 0 HG12 ILE A 7 2.880 2.541 -2.171 1.00 1.19 H new ATOM 0 HG13 ILE A 7 1.488 2.010 -3.096 1.00 1.19 H new ATOM 0 HG21 ILE A 7 1.732 5.399 -1.608 1.00 1.41 H new ATOM 0 HG22 ILE A 7 0.886 4.995 -0.095 1.00 1.41 H new ATOM 0 HG23 ILE A 7 2.537 4.394 -0.379 1.00 1.41 H new ATOM 0 HD11 ILE A 7 2.909 3.497 -4.424 1.00 1.42 H new ATOM 0 HD12 ILE A 7 1.317 4.242 -4.144 1.00 1.42 H new ATOM 0 HD13 ILE A 7 2.730 4.780 -3.205 1.00 1.42 H new ATOM 112 N GLY A 8 0.819 3.197 1.798 1.00 0.57 N ATOM 113 CA GLY A 8 0.215 3.759 2.992 1.00 0.69 C ATOM 114 C GLY A 8 1.025 4.891 3.600 1.00 0.68 C ATOM 115 O GLY A 8 2.218 4.745 3.866 1.00 0.77 O ATOM 0 H GLY A 8 1.833 3.092 1.837 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.782 4.125 2.748 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.092 2.970 3.734 1.00 0.69 H new ATOM 119 N SER A 9 0.355 6.017 3.838 1.00 0.70 N ATOM 120 CA SER A 9 0.984 7.190 4.435 1.00 0.75 C ATOM 121 C SER A 9 -0.002 7.927 5.334 1.00 0.87 C ATOM 122 O SER A 9 -1.216 7.709 5.256 1.00 0.92 O ATOM 123 CB SER A 9 1.519 8.139 3.360 1.00 0.76 C ATOM 124 OG SER A 9 0.549 8.374 2.356 1.00 1.67 O ATOM 0 H SER A 9 -0.634 6.140 3.623 1.00 0.70 H new ATOM 0 HA SER A 9 1.824 6.845 5.037 1.00 0.75 H new ATOM 0 HB2 SER A 9 1.809 9.085 3.818 1.00 0.76 H new ATOM 0 HB3 SER A 9 2.416 7.714 2.910 1.00 0.76 H new ATOM 0 HG SER A 9 -0.305 7.976 2.626 1.00 1.67 H new ATOM 130 N ASN A 10 0.522 8.792 6.193 1.00 1.03 N ATOM 131 CA ASN A 10 -0.312 9.549 7.114 1.00 1.23 C ATOM 132 C ASN A 10 0.512 10.559 7.905 1.00 1.30 C ATOM 133 O ASN A 10 1.179 10.211 8.880 1.00 2.00 O ATOM 134 CB ASN A 10 -1.038 8.593 8.059 1.00 1.55 C ATOM 135 CG ASN A 10 -0.141 7.469 8.539 1.00 2.18 C ATOM 136 OD1 ASN A 10 -0.487 6.240 8.174 1.00 2.66 O flip ATOM 137 ND2 ASN A 10 0.850 7.700 9.228 1.00 3.02 N flip ATOM 0 H ASN A 10 1.520 8.986 6.270 1.00 1.03 H new ATOM 0 HA ASN A 10 -1.047 10.106 6.533 1.00 1.23 H new ATOM 0 HB2 ASN A 10 -1.412 9.149 8.919 1.00 1.55 H new ATOM 0 HB3 ASN A 10 -1.905 8.171 7.551 1.00 1.55 H new ATOM 0 HD21 ASN A 10 1.079 8.660 9.486 1.00 3.02 H new ATOM 0 HD22 ASN A 10 1.443 6.932 9.542 1.00 3.02 H new ATOM 144 N LEU A 11 0.459 11.813 7.471 1.00 1.21 N ATOM 145 CA LEU A 11 1.197 12.891 8.122 1.00 1.31 C ATOM 146 C LEU A 11 0.510 14.232 7.887 1.00 1.49 C ATOM 147 O LEU A 11 -0.539 14.297 7.245 1.00 1.96 O ATOM 148 CB LEU A 11 2.628 12.948 7.578 1.00 1.36 C ATOM 149 CG LEU A 11 3.558 11.830 8.047 1.00 1.66 C ATOM 150 CD1 LEU A 11 4.943 11.999 7.438 1.00 2.11 C ATOM 151 CD2 LEU A 11 3.642 11.812 9.566 1.00 2.45 C ATOM 0 H LEU A 11 -0.091 12.110 6.665 1.00 1.21 H new ATOM 0 HA LEU A 11 1.222 12.691 9.193 1.00 1.31 H new ATOM 0 HB2 LEU A 11 2.585 12.927 6.489 1.00 1.36 H new ATOM 0 HB3 LEU A 11 3.067 13.904 7.861 1.00 1.36 H new ATOM 0 HG LEU A 11 3.149 10.877 7.713 1.00 1.66 H new ATOM 0 HD11 LEU A 11 5.593 11.194 7.783 1.00 2.11 H new ATOM 0 HD12 LEU A 11 4.869 11.965 6.351 1.00 2.11 H new ATOM 0 HD13 LEU A 11 5.360 12.958 7.744 1.00 2.11 H new ATOM 0 HD21 LEU A 11 4.308 11.010 9.884 1.00 2.45 H new ATOM 0 HD22 LEU A 11 4.029 12.767 9.920 1.00 2.45 H new ATOM 0 HD23 LEU A 11 2.649 11.646 9.983 1.00 2.45 H new ATOM 163 N ALA A 12 1.119 15.305 8.384 1.00 1.57 N ATOM 164 CA ALA A 12 0.574 16.641 8.188 1.00 1.79 C ATOM 165 C ALA A 12 0.796 17.049 6.739 1.00 1.71 C ATOM 166 O ALA A 12 0.226 18.024 6.247 1.00 2.29 O ATOM 167 CB ALA A 12 1.232 17.634 9.136 1.00 2.08 C ATOM 0 H ALA A 12 1.985 15.274 8.922 1.00 1.57 H new ATOM 0 HA ALA A 12 -0.494 16.638 8.407 1.00 1.79 H new ATOM 0 HB1 ALA A 12 0.811 18.626 8.973 1.00 2.08 H new ATOM 0 HB2 ALA A 12 1.052 17.328 10.166 1.00 2.08 H new ATOM 0 HB3 ALA A 12 2.305 17.660 8.948 1.00 2.08 H new ATOM 173 N SER A 13 1.632 16.263 6.071 1.00 1.54 N ATOM 174 CA SER A 13 1.973 16.467 4.672 1.00 1.42 C ATOM 175 C SER A 13 2.742 15.249 4.162 1.00 1.10 C ATOM 176 O SER A 13 3.912 15.349 3.789 1.00 1.17 O ATOM 177 CB SER A 13 2.811 17.737 4.503 1.00 1.72 C ATOM 178 OG SER A 13 3.160 17.941 3.145 1.00 2.45 O ATOM 0 H SER A 13 2.096 15.458 6.492 1.00 1.54 H new ATOM 0 HA SER A 13 1.058 16.588 4.092 1.00 1.42 H new ATOM 0 HB2 SER A 13 2.252 18.597 4.871 1.00 1.72 H new ATOM 0 HB3 SER A 13 3.715 17.663 5.107 1.00 1.72 H new ATOM 0 HG SER A 13 3.671 17.171 2.819 1.00 2.45 H new ATOM 184 N PRO A 14 2.092 14.067 4.161 1.00 0.96 N ATOM 185 CA PRO A 14 2.718 12.814 3.720 1.00 0.92 C ATOM 186 C PRO A 14 2.970 12.774 2.221 1.00 0.86 C ATOM 187 O PRO A 14 3.372 11.744 1.680 1.00 0.90 O ATOM 188 CB PRO A 14 1.703 11.742 4.123 1.00 1.18 C ATOM 189 CG PRO A 14 0.396 12.453 4.172 1.00 1.23 C ATOM 190 CD PRO A 14 0.701 13.858 4.607 1.00 1.14 C ATOM 0 HA PRO A 14 3.702 12.679 4.170 1.00 0.92 H new ATOM 0 HB2 PRO A 14 1.682 10.926 3.401 1.00 1.18 H new ATOM 0 HB3 PRO A 14 1.952 11.305 5.090 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -0.089 12.444 3.196 1.00 1.23 H new ATOM 0 HG3 PRO A 14 -0.285 11.968 4.871 1.00 1.23 H new ATOM 0 HD2 PRO A 14 0.021 14.576 4.148 1.00 1.14 H new ATOM 0 HD3 PRO A 14 0.605 13.973 5.687 1.00 1.14 H new ATOM 198 N LEU A 15 2.744 13.900 1.553 1.00 0.89 N ATOM 199 CA LEU A 15 2.965 13.985 0.119 1.00 0.90 C ATOM 200 C LEU A 15 4.404 13.613 -0.217 1.00 0.84 C ATOM 201 O LEU A 15 4.695 13.141 -1.313 1.00 0.84 O ATOM 202 CB LEU A 15 2.652 15.396 -0.389 1.00 1.07 C ATOM 203 CG LEU A 15 2.876 15.615 -1.887 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.983 14.694 -2.706 1.00 1.67 C ATOM 205 CD2 LEU A 15 2.621 17.069 -2.254 1.00 1.72 C ATOM 0 H LEU A 15 2.409 14.762 1.982 1.00 0.89 H new ATOM 0 HA LEU A 15 2.296 13.281 -0.376 1.00 0.90 H new ATOM 0 HB2 LEU A 15 1.612 15.626 -0.156 1.00 1.07 H new ATOM 0 HB3 LEU A 15 3.267 16.108 0.162 1.00 1.07 H new ATOM 0 HG LEU A 15 3.914 15.376 -2.117 1.00 1.33 H new ATOM 0 HD11 LEU A 15 2.159 14.867 -3.768 1.00 1.67 H new ATOM 0 HD12 LEU A 15 2.212 13.656 -2.464 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.938 14.899 -2.473 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.784 17.209 -3.323 1.00 1.72 H new ATOM 0 HD22 LEU A 15 1.592 17.332 -2.007 1.00 1.72 H new ATOM 0 HD23 LEU A 15 3.303 17.710 -1.696 1.00 1.72 H new ATOM 217 N GLU A 16 5.299 13.822 0.743 1.00 0.86 N ATOM 218 CA GLU A 16 6.711 13.506 0.555 1.00 0.88 C ATOM 219 C GLU A 16 6.963 12.011 0.732 1.00 0.76 C ATOM 220 O GLU A 16 7.850 11.443 0.096 1.00 0.75 O ATOM 221 CB GLU A 16 7.568 14.303 1.539 1.00 1.05 C ATOM 222 CG GLU A 16 9.062 14.110 1.340 1.00 1.40 C ATOM 223 CD GLU A 16 9.890 14.937 2.305 1.00 1.82 C ATOM 224 OE1 GLU A 16 9.756 16.178 2.290 1.00 2.16 O ATOM 225 OE2 GLU A 16 10.672 14.342 3.077 1.00 2.49 O ATOM 0 H GLU A 16 5.072 14.209 1.659 1.00 0.86 H new ATOM 0 HA GLU A 16 6.988 13.783 -0.462 1.00 0.88 H new ATOM 0 HB2 GLU A 16 7.331 15.362 1.439 1.00 1.05 H new ATOM 0 HB3 GLU A 16 7.305 14.012 2.556 1.00 1.05 H new ATOM 0 HG2 GLU A 16 9.309 13.056 1.466 1.00 1.40 H new ATOM 0 HG3 GLU A 16 9.326 14.379 0.317 1.00 1.40 H new ATOM 232 N GLN A 17 6.176 11.378 1.600 1.00 0.73 N ATOM 233 CA GLN A 17 6.318 9.948 1.855 1.00 0.71 C ATOM 234 C GLN A 17 5.779 9.135 0.687 1.00 0.57 C ATOM 235 O GLN A 17 6.520 8.402 0.037 1.00 0.51 O ATOM 236 CB GLN A 17 5.593 9.563 3.144 1.00 0.86 C ATOM 237 CG GLN A 17 6.151 10.260 4.368 1.00 1.20 C ATOM 238 CD GLN A 17 7.628 9.980 4.561 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.034 8.836 4.762 1.00 2.20 O ATOM 240 NE2 GLN A 17 8.439 11.028 4.495 1.00 1.36 N ATOM 0 H GLN A 17 5.436 11.832 2.136 1.00 0.73 H new ATOM 0 HA GLN A 17 7.379 9.726 1.968 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.535 9.805 3.045 1.00 0.86 H new ATOM 0 HB3 GLN A 17 5.661 8.484 3.284 1.00 0.86 H new ATOM 0 HG2 GLN A 17 5.996 11.335 4.275 1.00 1.20 H new ATOM 0 HG3 GLN A 17 5.602 9.934 5.252 1.00 1.20 H new ATOM 0 HE21 GLN A 17 8.057 11.959 4.326 1.00 1.36 H new ATOM 0 HE22 GLN A 17 9.444 10.903 4.613 1.00 1.36 H new ATOM 249 N VAL A 18 4.486 9.273 0.419 1.00 0.57 N ATOM 250 CA VAL A 18 3.865 8.552 -0.682 1.00 0.53 C ATOM 251 C VAL A 18 4.676 8.732 -1.964 1.00 0.49 C ATOM 252 O VAL A 18 4.849 7.789 -2.733 1.00 0.51 O ATOM 253 CB VAL A 18 2.409 9.005 -0.917 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.339 10.503 -1.164 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.788 8.239 -2.079 1.00 1.25 C ATOM 0 H VAL A 18 3.852 9.874 0.946 1.00 0.57 H new ATOM 0 HA VAL A 18 3.849 7.497 -0.409 1.00 0.53 H new ATOM 0 HB VAL A 18 1.837 8.784 -0.016 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.302 10.797 -1.327 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.735 11.033 -0.298 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.930 10.755 -2.045 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.761 8.573 -2.228 1.00 1.25 H new ATOM 0 HG22 VAL A 18 2.365 8.423 -2.986 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.793 7.172 -1.856 1.00 1.25 H new ATOM 265 N ASN A 19 5.186 9.946 -2.176 1.00 0.52 N ATOM 266 CA ASN A 19 5.991 10.244 -3.355 1.00 0.57 C ATOM 267 C ASN A 19 7.363 9.584 -3.269 1.00 0.50 C ATOM 268 O ASN A 19 8.009 9.349 -4.289 1.00 0.52 O ATOM 269 CB ASN A 19 6.156 11.755 -3.527 1.00 0.72 C ATOM 270 CG ASN A 19 4.865 12.450 -3.932 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.773 11.696 -4.007 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.850 13.658 -4.171 1.00 1.71 N flip ATOM 0 H ASN A 19 5.054 10.737 -1.545 1.00 0.52 H new ATOM 0 HA ASN A 19 5.467 9.840 -4.221 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.516 12.185 -2.592 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.919 11.948 -4.281 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.710 14.202 -4.102 1.00 1.71 H new ATOM 0 HD22 ASN A 19 3.978 14.114 -4.438 1.00 1.71 H new ATOM 279 N ALA A 20 7.800 9.274 -2.048 1.00 0.49 N ATOM 280 CA ALA A 20 9.090 8.626 -1.849 1.00 0.49 C ATOM 281 C ALA A 20 9.137 7.333 -2.642 1.00 0.42 C ATOM 282 O ALA A 20 9.957 7.160 -3.551 1.00 0.48 O ATOM 283 CB ALA A 20 9.328 8.355 -0.370 1.00 0.57 C ATOM 0 H ALA A 20 7.282 9.461 -1.190 1.00 0.49 H new ATOM 0 HA ALA A 20 9.880 9.289 -2.203 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.296 7.871 -0.240 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.317 9.297 0.179 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.542 7.703 0.012 1.00 0.57 H new ATOM 289 N ALA A 21 8.222 6.433 -2.314 1.00 0.41 N ATOM 290 CA ALA A 21 8.138 5.169 -3.019 1.00 0.45 C ATOM 291 C ALA A 21 7.791 5.421 -4.478 1.00 0.36 C ATOM 292 O ALA A 21 8.352 4.804 -5.367 1.00 0.40 O ATOM 293 CB ALA A 21 7.103 4.264 -2.388 1.00 0.64 C ATOM 0 H ALA A 21 7.534 6.555 -1.571 1.00 0.41 H new ATOM 0 HA ALA A 21 9.106 4.671 -2.956 1.00 0.45 H new ATOM 0 HB1 ALA A 21 7.060 3.323 -2.936 1.00 0.64 H new ATOM 0 HB2 ALA A 21 7.375 4.068 -1.351 1.00 0.64 H new ATOM 0 HB3 ALA A 21 6.127 4.748 -2.422 1.00 0.64 H new ATOM 299 N LEU A 22 6.859 6.348 -4.710 1.00 0.40 N ATOM 300 CA LEU A 22 6.442 6.693 -6.069 1.00 0.47 C ATOM 301 C LEU A 22 7.653 6.877 -6.977 1.00 0.44 C ATOM 302 O LEU A 22 7.588 6.603 -8.175 1.00 0.53 O ATOM 303 CB LEU A 22 5.577 7.957 -6.068 1.00 0.64 C ATOM 304 CG LEU A 22 4.145 7.763 -5.561 1.00 1.16 C ATOM 305 CD1 LEU A 22 3.397 9.086 -5.556 1.00 1.74 C ATOM 306 CD2 LEU A 22 3.408 6.738 -6.414 1.00 1.73 C ATOM 0 H LEU A 22 6.381 6.871 -3.977 1.00 0.40 H new ATOM 0 HA LEU A 22 5.844 5.868 -6.457 1.00 0.47 H new ATOM 0 HB2 LEU A 22 6.065 8.712 -5.452 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.536 8.352 -7.083 1.00 0.64 H new ATOM 0 HG LEU A 22 4.192 7.389 -4.538 1.00 1.16 H new ATOM 0 HD11 LEU A 22 2.381 8.928 -5.193 1.00 1.74 H new ATOM 0 HD12 LEU A 22 3.910 9.792 -4.903 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.362 9.488 -6.569 1.00 1.74 H new ATOM 0 HD21 LEU A 22 2.392 6.614 -6.038 1.00 1.73 H new ATOM 0 HD22 LEU A 22 3.373 7.083 -7.447 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.931 5.783 -6.368 1.00 1.73 H new ATOM 318 N LYS A 23 8.764 7.315 -6.393 1.00 0.43 N ATOM 319 CA LYS A 23 9.993 7.501 -7.151 1.00 0.52 C ATOM 320 C LYS A 23 10.610 6.144 -7.467 1.00 0.47 C ATOM 321 O LYS A 23 11.021 5.885 -8.598 1.00 0.56 O ATOM 322 CB LYS A 23 10.987 8.369 -6.374 1.00 0.61 C ATOM 323 CG LYS A 23 10.493 9.785 -6.127 1.00 1.13 C ATOM 324 CD LYS A 23 11.532 10.616 -5.393 1.00 1.51 C ATOM 325 CE LYS A 23 11.048 12.039 -5.162 1.00 2.12 C ATOM 326 NZ LYS A 23 9.818 12.079 -4.323 1.00 2.74 N ATOM 0 H LYS A 23 8.837 7.546 -5.402 1.00 0.43 H new ATOM 0 HA LYS A 23 9.755 8.014 -8.083 1.00 0.52 H new ATOM 0 HB2 LYS A 23 11.199 7.895 -5.416 1.00 0.61 H new ATOM 0 HB3 LYS A 23 11.927 8.412 -6.924 1.00 0.61 H new ATOM 0 HG2 LYS A 23 10.252 10.259 -7.079 1.00 1.13 H new ATOM 0 HG3 LYS A 23 9.572 9.754 -5.544 1.00 1.13 H new ATOM 0 HD2 LYS A 23 11.762 10.149 -4.435 1.00 1.51 H new ATOM 0 HD3 LYS A 23 12.457 10.635 -5.969 1.00 1.51 H new ATOM 0 HE2 LYS A 23 11.836 12.616 -4.678 1.00 2.12 H new ATOM 0 HE3 LYS A 23 10.848 12.515 -6.122 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 9.646 13.054 -4.006 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 9.006 11.748 -4.882 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 9.943 11.463 -3.495 1.00 2.74 H new ATOM 340 N ALA A 24 10.656 5.273 -6.459 1.00 0.40 N ATOM 341 CA ALA A 24 11.204 3.932 -6.635 1.00 0.43 C ATOM 342 C ALA A 24 10.242 3.052 -7.433 1.00 0.38 C ATOM 343 O ALA A 24 10.605 2.520 -8.482 1.00 0.46 O ATOM 344 CB ALA A 24 11.509 3.309 -5.280 1.00 0.51 C ATOM 0 H ALA A 24 10.321 5.473 -5.516 1.00 0.40 H new ATOM 0 HA ALA A 24 12.133 4.008 -7.200 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.917 2.309 -5.423 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.236 3.926 -4.751 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.592 3.246 -4.694 1.00 0.51 H new ATOM 350 N LEU A 25 9.014 2.906 -6.936 1.00 0.43 N ATOM 351 CA LEU A 25 8.002 2.099 -7.610 1.00 0.40 C ATOM 352 C LEU A 25 7.847 2.551 -9.055 1.00 0.37 C ATOM 353 O LEU A 25 7.729 1.727 -9.964 1.00 0.45 O ATOM 354 CB LEU A 25 6.650 2.203 -6.898 1.00 0.47 C ATOM 355 CG LEU A 25 5.732 1.001 -7.098 1.00 0.56 C ATOM 356 CD1 LEU A 25 6.348 -0.233 -6.460 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.353 1.277 -6.515 1.00 1.04 C ATOM 0 H LEU A 25 8.697 3.337 -6.068 1.00 0.43 H new ATOM 0 HA LEU A 25 8.331 1.060 -7.584 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.826 2.335 -5.830 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.137 3.098 -7.250 1.00 0.47 H new ATOM 0 HG LEU A 25 5.616 0.821 -8.167 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.687 -1.087 -6.607 1.00 0.96 H new ATOM 0 HD12 LEU A 25 7.314 -0.438 -6.922 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.486 -0.060 -5.393 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.713 0.408 -6.668 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.443 1.479 -5.448 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.914 2.142 -7.012 1.00 1.04 H new ATOM 369 N GLY A 26 7.857 3.869 -9.261 1.00 0.43 N ATOM 370 CA GLY A 26 7.731 4.410 -10.602 1.00 0.53 C ATOM 371 C GLY A 26 8.691 3.739 -11.556 1.00 0.56 C ATOM 372 O GLY A 26 8.301 3.288 -12.633 1.00 0.82 O ATOM 0 H GLY A 26 7.950 4.568 -8.524 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.709 4.275 -10.956 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.923 5.483 -10.583 1.00 0.53 H new ATOM 376 N ASP A 27 9.950 3.647 -11.140 1.00 0.59 N ATOM 377 CA ASP A 27 10.969 2.996 -11.944 1.00 0.76 C ATOM 378 C ASP A 27 11.741 1.991 -11.098 1.00 0.56 C ATOM 379 O ASP A 27 12.621 2.355 -10.318 1.00 0.81 O ATOM 380 CB ASP A 27 11.918 4.035 -12.539 1.00 1.35 C ATOM 381 CG ASP A 27 12.949 3.423 -13.469 1.00 2.02 C ATOM 382 OD1 ASP A 27 13.750 2.587 -12.999 1.00 2.61 O ATOM 383 OD2 ASP A 27 12.956 3.778 -14.666 1.00 2.42 O ATOM 0 H ASP A 27 10.286 4.016 -10.250 1.00 0.59 H new ATOM 0 HA ASP A 27 10.485 2.463 -12.762 1.00 0.76 H new ATOM 0 HB2 ASP A 27 11.339 4.779 -13.085 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.429 4.559 -11.731 1.00 1.35 H new ATOM 388 N ILE A 28 11.395 0.725 -11.267 1.00 0.51 N ATOM 389 CA ILE A 28 12.028 -0.369 -10.542 1.00 0.51 C ATOM 390 C ILE A 28 12.851 -1.207 -11.517 1.00 0.49 C ATOM 391 O ILE A 28 12.490 -1.297 -12.691 1.00 0.48 O ATOM 392 CB ILE A 28 10.955 -1.258 -9.871 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.822 -0.389 -9.319 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.553 -2.104 -8.757 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.717 -1.178 -8.649 1.00 1.26 C ATOM 0 H ILE A 28 10.665 0.424 -11.913 1.00 0.51 H new ATOM 0 HA ILE A 28 12.677 0.042 -9.768 1.00 0.51 H new ATOM 0 HB ILE A 28 10.556 -1.932 -10.629 1.00 0.71 H new ATOM 0 HG12 ILE A 28 10.236 0.319 -8.601 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.395 0.196 -10.134 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.772 -2.717 -8.306 1.00 0.83 H new ATOM 0 HG22 ILE A 28 12.330 -2.750 -9.167 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.986 -1.453 -7.998 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.951 -0.494 -8.284 1.00 1.26 H new ATOM 0 HD12 ILE A 28 8.274 -1.867 -9.368 1.00 1.26 H new ATOM 0 HD13 ILE A 28 9.129 -1.742 -7.812 1.00 1.26 H new ATOM 407 N PRO A 29 13.966 -1.825 -11.064 1.00 0.68 N ATOM 408 CA PRO A 29 14.826 -2.646 -11.909 1.00 0.83 C ATOM 409 C PRO A 29 14.125 -3.232 -13.140 1.00 0.70 C ATOM 410 O PRO A 29 14.626 -3.104 -14.256 1.00 0.88 O ATOM 411 CB PRO A 29 15.234 -3.741 -10.935 1.00 1.07 C ATOM 412 CG PRO A 29 15.348 -3.046 -9.611 1.00 1.14 C ATOM 413 CD PRO A 29 14.509 -1.784 -9.692 1.00 0.87 C ATOM 0 HA PRO A 29 15.646 -2.078 -12.348 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.492 -4.539 -10.901 1.00 1.07 H new ATOM 0 HB3 PRO A 29 16.180 -4.198 -11.226 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.995 -3.691 -8.806 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.388 -2.803 -9.392 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.715 -1.780 -8.945 1.00 0.87 H new ATOM 0 HD3 PRO A 29 15.110 -0.890 -9.524 1.00 0.87 H new ATOM 421 N GLU A 30 12.970 -3.867 -12.936 1.00 0.54 N ATOM 422 CA GLU A 30 12.219 -4.458 -14.046 1.00 0.58 C ATOM 423 C GLU A 30 10.710 -4.399 -13.801 1.00 0.60 C ATOM 424 O GLU A 30 9.984 -5.339 -14.126 1.00 1.01 O ATOM 425 CB GLU A 30 12.647 -5.911 -14.272 1.00 0.62 C ATOM 426 CG GLU A 30 14.082 -6.070 -14.757 1.00 0.63 C ATOM 427 CD GLU A 30 14.283 -5.575 -16.177 1.00 1.39 C ATOM 428 OE1 GLU A 30 14.025 -4.381 -16.436 1.00 2.35 O ATOM 429 OE2 GLU A 30 14.703 -6.384 -17.031 1.00 1.66 O ATOM 0 H GLU A 30 12.536 -3.985 -12.020 1.00 0.54 H new ATOM 0 HA GLU A 30 12.444 -3.872 -14.937 1.00 0.58 H new ATOM 0 HB2 GLU A 30 12.527 -6.463 -13.340 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.976 -6.367 -15.001 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.749 -5.524 -14.089 1.00 0.63 H new ATOM 0 HG3 GLU A 30 14.365 -7.121 -14.700 1.00 0.63 H new ATOM 436 N SER A 31 10.240 -3.290 -13.233 1.00 0.36 N ATOM 437 CA SER A 31 8.817 -3.119 -12.954 1.00 0.34 C ATOM 438 C SER A 31 8.272 -1.878 -13.660 1.00 0.36 C ATOM 439 O SER A 31 9.022 -1.142 -14.301 1.00 0.46 O ATOM 440 CB SER A 31 8.586 -2.997 -11.449 1.00 0.37 C ATOM 441 OG SER A 31 9.250 -4.033 -10.747 1.00 0.83 O ATOM 0 H SER A 31 10.822 -2.499 -12.958 1.00 0.36 H new ATOM 0 HA SER A 31 8.289 -3.995 -13.330 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.945 -2.029 -11.100 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.517 -3.036 -11.237 1.00 0.37 H new ATOM 0 HG SER A 31 9.155 -3.888 -9.783 1.00 0.83 H new ATOM 447 N HIS A 32 6.964 -1.647 -13.533 1.00 0.33 N ATOM 448 CA HIS A 32 6.325 -0.494 -14.151 1.00 0.39 C ATOM 449 C HIS A 32 4.873 -0.399 -13.705 1.00 0.34 C ATOM 450 O HIS A 32 4.060 -1.268 -14.016 1.00 0.36 O ATOM 451 CB HIS A 32 6.396 -0.580 -15.676 1.00 0.51 C ATOM 452 CG HIS A 32 5.940 0.666 -16.377 1.00 0.94 C ATOM 453 ND1 HIS A 32 5.893 0.781 -17.752 1.00 1.83 N ATOM 454 CD2 HIS A 32 5.512 1.856 -15.888 1.00 1.60 C ATOM 455 CE1 HIS A 32 5.459 1.986 -18.076 1.00 2.29 C ATOM 456 NE2 HIS A 32 5.220 2.656 -16.965 1.00 2.07 N ATOM 0 H HIS A 32 6.329 -2.247 -13.006 1.00 0.33 H new ATOM 0 HA HIS A 32 6.859 0.401 -13.832 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.423 -0.796 -15.971 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.785 -1.418 -16.012 1.00 0.51 H new ATOM 0 HD2 HIS A 32 5.418 2.124 -14.846 1.00 1.60 H new ATOM 0 HE1 HIS A 32 5.323 2.359 -19.080 1.00 2.29 H new ATOM 0 HE2 HIS A 32 4.874 3.614 -16.914 1.00 2.07 H new ATOM 465 N ILE A 33 4.565 0.661 -12.970 1.00 0.36 N ATOM 466 CA ILE A 33 3.221 0.893 -12.461 1.00 0.36 C ATOM 467 C ILE A 33 2.169 0.671 -13.547 1.00 0.38 C ATOM 468 O ILE A 33 2.442 0.867 -14.732 1.00 0.50 O ATOM 469 CB ILE A 33 3.116 2.317 -11.908 1.00 0.53 C ATOM 470 CG1 ILE A 33 4.216 2.526 -10.867 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.737 2.564 -11.306 1.00 0.93 C ATOM 472 CD1 ILE A 33 4.264 3.919 -10.300 1.00 1.05 C ATOM 0 H ILE A 33 5.238 1.382 -12.711 1.00 0.36 H new ATOM 0 HA ILE A 33 3.031 0.177 -11.661 1.00 0.36 H new ATOM 0 HB ILE A 33 3.248 3.033 -12.719 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.070 1.818 -10.052 1.00 0.58 H new ATOM 0 HG13 ILE A 33 5.180 2.296 -11.321 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.686 3.582 -10.920 1.00 0.93 H new ATOM 0 HG22 ILE A 33 0.975 2.429 -12.074 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.563 1.858 -10.494 1.00 0.93 H new ATOM 0 HD11 ILE A 33 5.070 3.987 -9.569 1.00 1.05 H new ATOM 0 HD12 ILE A 33 4.442 4.633 -11.104 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.315 4.147 -9.815 1.00 1.05 H new ATOM 484 N LEU A 34 0.975 0.239 -13.146 1.00 0.38 N ATOM 485 CA LEU A 34 -0.093 -0.032 -14.104 1.00 0.50 C ATOM 486 C LEU A 34 -1.404 0.655 -13.704 1.00 0.46 C ATOM 487 O LEU A 34 -2.001 1.373 -14.507 1.00 0.60 O ATOM 488 CB LEU A 34 -0.281 -1.552 -14.231 1.00 0.65 C ATOM 489 CG LEU A 34 -1.061 -2.042 -15.459 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.522 -1.626 -15.388 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.421 -1.525 -16.739 1.00 1.34 C ATOM 0 H LEU A 34 0.724 0.070 -12.172 1.00 0.38 H new ATOM 0 HA LEU A 34 0.192 0.380 -15.072 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.704 -2.018 -14.243 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -0.792 -1.909 -13.337 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.024 -3.131 -15.465 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.047 -1.988 -16.272 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -2.979 -2.052 -14.495 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.589 -0.539 -15.346 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -0.987 -1.882 -17.599 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.422 -0.435 -16.732 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.605 -1.887 -16.805 1.00 1.34 H new ATOM 503 N THR A 35 -1.853 0.434 -12.469 1.00 0.46 N ATOM 504 CA THR A 35 -3.099 1.037 -11.987 1.00 0.43 C ATOM 505 C THR A 35 -2.935 1.629 -10.592 1.00 0.43 C ATOM 506 O THR A 35 -2.560 0.933 -9.653 1.00 0.52 O ATOM 507 CB THR A 35 -4.233 0.008 -11.978 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.753 -1.265 -11.593 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.921 -0.141 -13.318 1.00 0.72 C ATOM 0 H THR A 35 -1.377 -0.155 -11.786 1.00 0.46 H new ATOM 0 HA THR A 35 -3.351 1.844 -12.675 1.00 0.43 H new ATOM 0 HB THR A 35 -4.959 0.387 -11.259 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.475 -1.772 -11.167 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.713 -0.885 -13.239 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.350 0.816 -13.615 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.195 -0.461 -14.066 1.00 0.72 H new ATOM 517 N VAL A 36 -3.233 2.914 -10.462 1.00 0.40 N ATOM 518 CA VAL A 36 -3.131 3.595 -9.178 1.00 0.46 C ATOM 519 C VAL A 36 -3.993 4.848 -9.153 1.00 0.48 C ATOM 520 O VAL A 36 -3.848 5.731 -10.000 1.00 0.56 O ATOM 521 CB VAL A 36 -1.674 3.977 -8.841 1.00 0.58 C ATOM 522 CG1 VAL A 36 -1.083 4.855 -9.929 1.00 1.32 C ATOM 523 CG2 VAL A 36 -1.604 4.678 -7.494 1.00 1.45 C ATOM 0 H VAL A 36 -3.548 3.507 -11.230 1.00 0.40 H new ATOM 0 HA VAL A 36 -3.489 2.892 -8.426 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.086 3.061 -8.784 1.00 0.58 H new ATOM 0 HG11 VAL A 36 -0.056 5.112 -9.671 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -1.095 4.317 -10.877 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.673 5.767 -10.021 1.00 1.32 H new ATOM 0 HG21 VAL A 36 -0.569 4.940 -7.273 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -2.209 5.584 -7.524 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -1.984 4.013 -6.718 1.00 1.45 H new ATOM 533 N SER A 37 -4.894 4.923 -8.178 1.00 0.45 N ATOM 534 CA SER A 37 -5.778 6.071 -8.051 1.00 0.54 C ATOM 535 C SER A 37 -6.694 5.911 -6.849 1.00 0.57 C ATOM 536 O SER A 37 -6.645 4.900 -6.148 1.00 1.08 O ATOM 537 CB SER A 37 -6.616 6.241 -9.322 1.00 0.65 C ATOM 538 OG SER A 37 -7.456 7.379 -9.238 1.00 1.28 O ATOM 0 H SER A 37 -5.029 4.204 -7.468 1.00 0.45 H new ATOM 0 HA SER A 37 -5.163 6.960 -7.908 1.00 0.54 H new ATOM 0 HB2 SER A 37 -5.957 6.336 -10.185 1.00 0.65 H new ATOM 0 HB3 SER A 37 -7.223 5.350 -9.482 1.00 0.65 H new ATOM 0 HG SER A 37 -7.977 7.463 -10.064 1.00 1.28 H new ATOM 544 N SER A 38 -7.530 6.913 -6.629 1.00 0.59 N ATOM 545 CA SER A 38 -8.476 6.902 -5.525 1.00 0.59 C ATOM 546 C SER A 38 -7.768 6.880 -4.174 1.00 0.52 C ATOM 547 O SER A 38 -7.702 5.846 -3.511 1.00 0.63 O ATOM 548 CB SER A 38 -9.421 5.702 -5.644 1.00 0.78 C ATOM 549 OG SER A 38 -10.135 5.734 -6.868 1.00 1.68 O ATOM 0 H SER A 38 -7.572 7.752 -7.207 1.00 0.59 H new ATOM 0 HA SER A 38 -9.056 7.823 -5.582 1.00 0.59 H new ATOM 0 HB2 SER A 38 -8.849 4.777 -5.577 1.00 0.78 H new ATOM 0 HB3 SER A 38 -10.123 5.704 -4.810 1.00 0.78 H new ATOM 0 HG SER A 38 -10.061 4.864 -7.313 1.00 1.68 H new ATOM 555 N PHE A 39 -7.261 8.038 -3.765 1.00 0.44 N ATOM 556 CA PHE A 39 -6.589 8.169 -2.474 1.00 0.50 C ATOM 557 C PHE A 39 -7.639 8.423 -1.396 1.00 0.57 C ATOM 558 O PHE A 39 -8.583 9.181 -1.619 1.00 0.75 O ATOM 559 CB PHE A 39 -5.566 9.317 -2.490 1.00 0.59 C ATOM 560 CG PHE A 39 -4.442 9.143 -3.478 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.715 8.823 -4.799 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.118 9.290 -3.091 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.694 8.653 -5.713 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.091 9.122 -4.002 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.355 8.844 -5.292 1.00 1.26 C ATOM 0 H PHE A 39 -7.302 8.901 -4.308 1.00 0.44 H new ATOM 0 HA PHE A 39 -6.048 7.246 -2.264 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.088 10.248 -2.714 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.141 9.421 -1.492 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.740 8.705 -5.118 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -2.886 9.539 -2.066 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.913 8.378 -6.734 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.066 9.215 -3.675 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.547 8.767 -6.005 1.00 1.26 H new ATOM 575 N TYR A 40 -7.498 7.786 -0.236 1.00 0.65 N ATOM 576 CA TYR A 40 -8.482 7.967 0.833 1.00 0.81 C ATOM 577 C TYR A 40 -7.849 8.392 2.156 1.00 0.71 C ATOM 578 O TYR A 40 -6.663 8.716 2.225 1.00 0.71 O ATOM 579 CB TYR A 40 -9.304 6.690 1.036 1.00 1.01 C ATOM 580 CG TYR A 40 -10.161 6.319 -0.152 1.00 1.49 C ATOM 581 CD1 TYR A 40 -9.600 5.773 -1.298 1.00 1.73 C ATOM 582 CD2 TYR A 40 -11.533 6.525 -0.132 1.00 2.39 C ATOM 583 CE1 TYR A 40 -10.382 5.443 -2.388 1.00 2.61 C ATOM 584 CE2 TYR A 40 -12.323 6.198 -1.216 1.00 3.35 C ATOM 585 CZ TYR A 40 -11.743 5.657 -2.342 1.00 3.41 C ATOM 586 OH TYR A 40 -12.523 5.329 -3.425 1.00 4.43 O ATOM 0 H TYR A 40 -6.730 7.153 -0.013 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.138 8.776 0.512 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -8.627 5.865 1.255 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.945 6.817 1.909 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -8.534 5.603 -1.338 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -11.992 6.949 0.749 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -9.929 5.019 -3.272 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -13.389 6.365 -1.181 1.00 3.35 H new ATOM 0 HH TYR A 40 -13.282 4.785 -3.128 1.00 4.43 H new ATOM 596 N ARG A 41 -8.678 8.401 3.200 1.00 0.70 N ATOM 597 CA ARG A 41 -8.262 8.796 4.544 1.00 0.67 C ATOM 598 C ARG A 41 -7.663 7.626 5.321 1.00 0.64 C ATOM 599 O ARG A 41 -8.362 6.671 5.652 1.00 0.70 O ATOM 600 CB ARG A 41 -9.477 9.345 5.299 1.00 0.79 C ATOM 601 CG ARG A 41 -9.199 9.755 6.739 1.00 0.95 C ATOM 602 CD ARG A 41 -10.468 10.214 7.438 1.00 1.52 C ATOM 603 NE ARG A 41 -10.207 10.688 8.794 1.00 2.11 N ATOM 604 CZ ARG A 41 -11.144 11.187 9.594 1.00 2.49 C ATOM 605 NH1 ARG A 41 -12.399 11.275 9.176 1.00 2.37 N ATOM 606 NH2 ARG A 41 -10.825 11.599 10.814 1.00 3.51 N ATOM 0 H ARG A 41 -9.660 8.133 3.136 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.490 9.560 4.452 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -9.864 10.208 4.758 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -10.262 8.589 5.296 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.766 8.914 7.281 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -8.462 10.558 6.755 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -10.932 11.012 6.859 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -11.180 9.390 7.473 1.00 1.52 H new ATOM 0 HE ARG A 41 -9.252 10.633 9.147 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -12.648 10.959 8.238 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -13.116 11.658 9.792 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -9.860 11.533 11.139 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -11.544 11.982 11.427 1.00 3.51 H new ATOM 620 N THR A 42 -6.372 7.716 5.629 1.00 0.80 N ATOM 621 CA THR A 42 -5.699 6.664 6.388 1.00 0.97 C ATOM 622 C THR A 42 -4.992 7.228 7.615 1.00 1.03 C ATOM 623 O THR A 42 -3.886 7.766 7.511 1.00 1.12 O ATOM 624 CB THR A 42 -4.684 5.921 5.516 1.00 1.17 C ATOM 625 OG1 THR A 42 -5.344 5.127 4.559 1.00 1.44 O ATOM 626 CG2 THR A 42 -3.760 5.013 6.301 1.00 1.32 C ATOM 0 H THR A 42 -5.774 8.500 5.367 1.00 0.80 H new ATOM 0 HA THR A 42 -6.469 5.966 6.716 1.00 0.97 H new ATOM 0 HB THR A 42 -4.084 6.701 5.047 1.00 1.17 H new ATOM 0 HG1 THR A 42 -5.785 5.705 3.902 1.00 1.44 H new ATOM 0 HG21 THR A 42 -3.068 4.520 5.618 1.00 1.32 H new ATOM 0 HG22 THR A 42 -3.197 5.604 7.024 1.00 1.32 H new ATOM 0 HG23 THR A 42 -4.349 4.261 6.827 1.00 1.32 H new ATOM 634 N PRO A 43 -5.606 7.103 8.802 1.00 1.12 N ATOM 635 CA PRO A 43 -5.001 7.593 10.037 1.00 1.31 C ATOM 636 C PRO A 43 -3.723 6.828 10.367 1.00 1.50 C ATOM 637 O PRO A 43 -3.615 5.638 10.076 1.00 1.71 O ATOM 638 CB PRO A 43 -6.069 7.342 11.109 1.00 1.48 C ATOM 639 CG PRO A 43 -7.335 7.092 10.352 1.00 1.38 C ATOM 640 CD PRO A 43 -6.919 6.477 9.044 1.00 1.15 C ATOM 0 HA PRO A 43 -4.715 8.642 9.964 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -5.808 6.487 11.732 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -6.170 8.201 11.772 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -7.995 6.424 10.905 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -7.883 8.020 10.190 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -6.845 5.392 9.111 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -7.628 6.700 8.247 1.00 1.15 H new ATOM 648 N PRO A 44 -2.732 7.511 10.960 1.00 1.55 N ATOM 649 CA PRO A 44 -1.446 6.921 11.323 1.00 1.80 C ATOM 650 C PRO A 44 -1.556 5.474 11.811 1.00 2.15 C ATOM 651 O PRO A 44 -0.793 4.606 11.388 1.00 2.77 O ATOM 652 CB PRO A 44 -0.988 7.842 12.444 1.00 1.80 C ATOM 653 CG PRO A 44 -1.460 9.178 12.004 1.00 1.81 C ATOM 654 CD PRO A 44 -2.777 8.938 11.311 1.00 1.54 C ATOM 0 HA PRO A 44 -0.763 6.854 10.476 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -1.424 7.557 13.402 1.00 1.80 H new ATOM 0 HB3 PRO A 44 0.095 7.818 12.567 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -1.582 9.850 12.854 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -0.742 9.644 11.329 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -3.620 9.163 11.964 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -2.884 9.565 10.426 1.00 1.54 H new ATOM 662 N LEU A 45 -2.519 5.228 12.700 1.00 2.16 N ATOM 663 CA LEU A 45 -2.754 3.891 13.251 1.00 2.52 C ATOM 664 C LEU A 45 -1.560 3.372 14.048 1.00 2.69 C ATOM 665 O LEU A 45 -0.770 2.571 13.545 1.00 3.09 O ATOM 666 CB LEU A 45 -3.101 2.900 12.134 1.00 2.75 C ATOM 667 CG LEU A 45 -4.439 3.146 11.433 1.00 3.05 C ATOM 668 CD1 LEU A 45 -4.630 2.159 10.292 1.00 3.66 C ATOM 669 CD2 LEU A 45 -5.590 3.044 12.423 1.00 3.32 C ATOM 0 H LEU A 45 -3.154 5.942 13.057 1.00 2.16 H new ATOM 0 HA LEU A 45 -3.597 3.978 13.937 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -2.308 2.928 11.387 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -3.109 1.894 12.553 1.00 2.75 H new ATOM 0 HG LEU A 45 -4.430 4.155 11.021 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -5.586 2.348 9.804 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -3.824 2.279 9.569 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -4.617 1.142 10.685 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -6.532 3.222 11.905 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -5.602 2.048 12.866 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -5.461 3.789 13.208 1.00 3.32 H new ATOM 681 N GLY A 46 -1.448 3.806 15.303 1.00 2.52 N ATOM 682 CA GLY A 46 -0.362 3.344 16.155 1.00 2.73 C ATOM 683 C GLY A 46 0.647 4.427 16.501 1.00 2.68 C ATOM 684 O GLY A 46 0.620 4.964 17.609 1.00 2.81 O ATOM 0 H GLY A 46 -2.087 4.467 15.744 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -0.781 2.943 17.078 1.00 2.73 H new ATOM 0 HA3 GLY A 46 0.155 2.524 15.657 1.00 2.73 H new ATOM 688 N PRO A 47 1.563 4.754 15.570 1.00 2.59 N ATOM 689 CA PRO A 47 2.604 5.766 15.778 1.00 2.65 C ATOM 690 C PRO A 47 2.145 6.963 16.608 1.00 2.60 C ATOM 691 O PRO A 47 2.877 7.448 17.469 1.00 2.86 O ATOM 692 CB PRO A 47 2.917 6.197 14.350 1.00 2.59 C ATOM 693 CG PRO A 47 2.736 4.960 13.538 1.00 2.63 C ATOM 694 CD PRO A 47 1.670 4.144 14.229 1.00 2.54 C ATOM 0 HA PRO A 47 3.450 5.370 16.340 1.00 2.65 H new ATOM 0 HB2 PRO A 47 2.247 6.990 14.019 1.00 2.59 H new ATOM 0 HB3 PRO A 47 3.933 6.582 14.265 1.00 2.59 H new ATOM 0 HG2 PRO A 47 2.437 5.205 12.519 1.00 2.63 H new ATOM 0 HG3 PRO A 47 3.669 4.401 13.470 1.00 2.63 H new ATOM 0 HD2 PRO A 47 0.722 4.191 13.693 1.00 2.54 H new ATOM 0 HD3 PRO A 47 1.950 3.092 14.290 1.00 2.54 H new ATOM 702 N GLN A 48 0.939 7.445 16.332 1.00 2.39 N ATOM 703 CA GLN A 48 0.393 8.596 17.041 1.00 2.50 C ATOM 704 C GLN A 48 -1.065 8.334 17.413 1.00 2.40 C ATOM 705 O GLN A 48 -1.497 7.184 17.451 1.00 2.57 O ATOM 706 CB GLN A 48 0.497 9.828 16.137 1.00 2.56 C ATOM 707 CG GLN A 48 0.480 11.159 16.871 1.00 2.73 C ATOM 708 CD GLN A 48 0.460 12.341 15.919 1.00 2.73 C ATOM 709 OE1 GLN A 48 0.244 12.069 14.633 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 0.616 13.489 16.336 1.00 2.45 N flip ATOM 0 H GLN A 48 0.320 7.056 15.621 1.00 2.39 H new ATOM 0 HA GLN A 48 0.957 8.768 17.958 1.00 2.50 H new ATOM 0 HB2 GLN A 48 1.418 9.760 15.558 1.00 2.56 H new ATOM 0 HB3 GLN A 48 -0.329 9.810 15.426 1.00 2.56 H new ATOM 0 HG2 GLN A 48 -0.395 11.203 17.520 1.00 2.73 H new ATOM 0 HG3 GLN A 48 1.357 11.228 17.514 1.00 2.73 H new ATOM 0 HE21 GLN A 48 0.779 13.653 17.329 1.00 2.45 H new ATOM 0 HE22 GLN A 48 0.582 14.276 15.688 1.00 2.45 H new ATOM 719 N ASP A 49 -1.829 9.399 17.656 1.00 2.45 N ATOM 720 CA ASP A 49 -3.244 9.265 17.985 1.00 2.47 C ATOM 721 C ASP A 49 -4.041 9.076 16.700 1.00 2.38 C ATOM 722 O ASP A 49 -5.245 9.327 16.645 1.00 2.57 O ATOM 723 CB ASP A 49 -3.740 10.504 18.738 1.00 2.79 C ATOM 724 CG ASP A 49 -3.005 10.722 20.048 1.00 2.83 C ATOM 725 OD1 ASP A 49 -2.122 9.902 20.375 1.00 3.28 O ATOM 726 OD2 ASP A 49 -3.312 11.713 20.743 1.00 3.02 O ATOM 0 H ASP A 49 -1.491 10.361 17.631 1.00 2.45 H new ATOM 0 HA ASP A 49 -3.382 8.397 18.630 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -3.617 11.383 18.105 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -4.807 10.401 18.937 1.00 2.79 H new ATOM 731 N GLN A 50 -3.329 8.638 15.667 1.00 2.26 N ATOM 732 CA GLN A 50 -3.896 8.406 14.344 1.00 2.39 C ATOM 733 C GLN A 50 -4.558 9.665 13.771 1.00 2.01 C ATOM 734 O GLN A 50 -5.665 9.593 13.234 1.00 2.19 O ATOM 735 CB GLN A 50 -4.909 7.266 14.363 1.00 3.08 C ATOM 736 CG GLN A 50 -4.468 6.030 15.134 1.00 3.45 C ATOM 737 CD GLN A 50 -4.726 6.139 16.624 1.00 3.73 C ATOM 738 OE1 GLN A 50 -5.848 6.413 17.051 1.00 4.34 O ATOM 739 NE2 GLN A 50 -3.694 5.910 17.424 1.00 3.74 N ATOM 0 H GLN A 50 -2.332 8.432 15.726 1.00 2.26 H new ATOM 0 HA GLN A 50 -3.061 8.131 13.699 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -5.840 7.633 14.796 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -5.128 6.976 13.335 1.00 3.08 H new ATOM 0 HG2 GLN A 50 -4.992 5.158 14.743 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -3.404 5.864 14.966 1.00 3.45 H new ATOM 0 HE21 GLN A 50 -2.781 5.686 17.028 1.00 3.74 H new ATOM 0 HE22 GLN A 50 -3.813 5.958 18.436 1.00 3.74 H new ATOM 748 N PRO A 51 -3.906 10.840 13.875 1.00 1.98 N ATOM 749 CA PRO A 51 -4.439 12.095 13.374 1.00 2.00 C ATOM 750 C PRO A 51 -3.869 12.482 12.007 1.00 1.82 C ATOM 751 O PRO A 51 -3.327 13.577 11.840 1.00 2.47 O ATOM 752 CB PRO A 51 -3.973 13.089 14.445 1.00 2.71 C ATOM 753 CG PRO A 51 -2.845 12.407 15.175 1.00 2.89 C ATOM 754 CD PRO A 51 -2.614 11.080 14.500 1.00 2.51 C ATOM 0 HA PRO A 51 -5.517 12.057 13.219 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -3.638 14.023 13.993 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -4.786 13.339 15.127 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -1.942 13.017 15.143 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -3.097 12.265 16.226 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -1.808 11.128 13.768 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -2.352 10.298 15.213 1.00 2.51 H new ATOM 762 N ASP A 52 -4.012 11.591 11.031 1.00 1.32 N ATOM 763 CA ASP A 52 -3.535 11.841 9.674 1.00 1.52 C ATOM 764 C ASP A 52 -4.369 11.033 8.692 1.00 1.28 C ATOM 765 O ASP A 52 -5.365 10.430 9.091 1.00 2.07 O ATOM 766 CB ASP A 52 -2.048 11.514 9.528 1.00 2.12 C ATOM 767 CG ASP A 52 -1.167 12.421 10.367 1.00 2.77 C ATOM 768 OD1 ASP A 52 -1.218 13.651 10.160 1.00 3.26 O ATOM 769 OD2 ASP A 52 -0.429 11.902 11.229 1.00 3.33 O ATOM 0 H ASP A 52 -4.458 10.682 11.156 1.00 1.32 H new ATOM 0 HA ASP A 52 -3.648 12.903 9.456 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -1.877 10.477 9.819 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -1.761 11.603 8.480 1.00 2.12 H new ATOM 774 N TYR A 53 -3.988 11.031 7.413 1.00 0.84 N ATOM 775 CA TYR A 53 -4.763 10.297 6.409 1.00 1.19 C ATOM 776 C TYR A 53 -4.254 10.441 4.972 1.00 0.96 C ATOM 777 O TYR A 53 -4.476 11.464 4.338 1.00 1.43 O ATOM 778 CB TYR A 53 -6.231 10.735 6.456 1.00 2.08 C ATOM 779 CG TYR A 53 -6.457 12.198 6.808 1.00 3.12 C ATOM 780 CD1 TYR A 53 -5.705 13.193 6.195 1.00 3.74 C ATOM 781 CD2 TYR A 53 -7.415 12.585 7.739 1.00 3.88 C ATOM 782 CE1 TYR A 53 -5.898 14.526 6.500 1.00 4.86 C ATOM 783 CE2 TYR A 53 -7.613 13.918 8.049 1.00 5.03 C ATOM 784 CZ TYR A 53 -6.896 14.865 7.475 1.00 5.45 C ATOM 785 OH TYR A 53 -7.048 16.210 7.733 1.00 6.66 O ATOM 0 H TYR A 53 -3.167 11.517 7.053 1.00 0.84 H new ATOM 0 HA TYR A 53 -4.648 9.246 6.675 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -6.684 10.537 5.485 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -6.755 10.117 7.185 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -4.956 12.919 5.467 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -8.015 11.832 8.228 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -5.313 15.294 6.017 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -8.367 14.188 8.773 1.00 5.03 H new ATOM 0 HH TYR A 53 -7.749 16.337 8.406 1.00 6.66 H new ATOM 795 N LEU A 54 -3.650 9.391 4.427 1.00 0.84 N ATOM 796 CA LEU A 54 -3.215 9.425 3.032 1.00 0.76 C ATOM 797 C LEU A 54 -2.850 8.038 2.525 1.00 0.76 C ATOM 798 O LEU A 54 -1.803 7.496 2.870 1.00 0.98 O ATOM 799 CB LEU A 54 -2.030 10.359 2.819 1.00 0.97 C ATOM 800 CG LEU A 54 -1.722 10.626 1.345 1.00 1.15 C ATOM 801 CD1 LEU A 54 -2.639 11.705 0.790 1.00 1.60 C ATOM 802 CD2 LEU A 54 -0.267 10.996 1.152 1.00 1.60 C ATOM 0 H LEU A 54 -3.452 8.519 4.918 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.064 9.805 2.464 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -2.230 11.307 3.318 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.148 9.929 3.294 1.00 0.97 H new ATOM 0 HG LEU A 54 -1.907 9.707 0.789 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -2.402 11.879 -0.260 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -3.676 11.382 0.880 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -2.496 12.628 1.352 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -0.076 11.180 0.095 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -0.041 11.896 1.724 1.00 1.60 H new ATOM 0 HD23 LEU A 54 0.365 10.178 1.498 1.00 1.60 H new ATOM 814 N ASN A 55 -3.715 7.468 1.697 1.00 0.60 N ATOM 815 CA ASN A 55 -3.460 6.147 1.145 1.00 0.66 C ATOM 816 C ASN A 55 -3.709 6.124 -0.353 1.00 0.50 C ATOM 817 O ASN A 55 -4.410 6.982 -0.888 1.00 0.56 O ATOM 818 CB ASN A 55 -4.340 5.116 1.835 1.00 0.87 C ATOM 819 CG ASN A 55 -5.801 5.244 1.443 1.00 1.51 C ATOM 820 OD1 ASN A 55 -6.623 5.719 2.369 1.00 2.21 O flip ATOM 821 ND2 ASN A 55 -6.184 4.937 0.314 1.00 2.21 N flip ATOM 0 H ASN A 55 -4.591 7.895 1.396 1.00 0.60 H new ATOM 0 HA ASN A 55 -2.413 5.901 1.320 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -3.986 4.116 1.585 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -4.246 5.227 2.915 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -5.519 4.575 -0.369 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -7.166 5.045 0.062 1.00 2.21 H new ATOM 828 N ALA A 56 -3.133 5.134 -1.023 1.00 0.50 N ATOM 829 CA ALA A 56 -3.289 4.998 -2.461 1.00 0.45 C ATOM 830 C ALA A 56 -3.235 3.539 -2.895 1.00 0.45 C ATOM 831 O ALA A 56 -2.381 2.772 -2.445 1.00 0.61 O ATOM 832 CB ALA A 56 -2.218 5.801 -3.183 1.00 0.58 C ATOM 0 H ALA A 56 -2.554 4.414 -0.591 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.271 5.388 -2.728 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.345 5.691 -4.260 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -2.308 6.853 -2.912 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.233 5.435 -2.895 1.00 0.58 H new ATOM 838 N ALA A 57 -4.146 3.173 -3.789 1.00 0.43 N ATOM 839 CA ALA A 57 -4.208 1.819 -4.315 1.00 0.47 C ATOM 840 C ALA A 57 -3.326 1.711 -5.542 1.00 0.40 C ATOM 841 O ALA A 57 -3.489 2.471 -6.496 1.00 0.44 O ATOM 842 CB ALA A 57 -5.642 1.450 -4.653 1.00 0.59 C ATOM 0 H ALA A 57 -4.856 3.802 -4.166 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.848 1.123 -3.558 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.673 0.434 -5.046 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -6.255 1.511 -3.754 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -6.028 2.141 -5.403 1.00 0.59 H new ATOM 848 N VAL A 58 -2.376 0.780 -5.505 1.00 0.39 N ATOM 849 CA VAL A 58 -1.460 0.607 -6.609 1.00 0.39 C ATOM 850 C VAL A 58 -1.385 -0.840 -7.060 1.00 0.40 C ATOM 851 O VAL A 58 -1.288 -1.762 -6.254 1.00 0.60 O ATOM 852 CB VAL A 58 -0.041 1.070 -6.231 1.00 0.49 C ATOM 853 CG1 VAL A 58 0.870 1.071 -7.451 1.00 1.11 C ATOM 854 CG2 VAL A 58 -0.078 2.442 -5.578 1.00 1.22 C ATOM 0 H VAL A 58 -2.228 0.141 -4.724 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.846 1.218 -7.425 1.00 0.39 H new ATOM 0 HB VAL A 58 0.366 0.364 -5.508 1.00 0.49 H new ATOM 0 HG11 VAL A 58 1.867 1.401 -7.160 1.00 1.11 H new ATOM 0 HG12 VAL A 58 0.927 0.064 -7.863 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.468 1.749 -8.204 1.00 1.11 H new ATOM 0 HG21 VAL A 58 0.935 2.749 -5.319 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.510 3.163 -6.271 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.686 2.399 -4.674 1.00 1.22 H new ATOM 864 N ALA A 59 -1.377 -1.013 -8.361 1.00 0.34 N ATOM 865 CA ALA A 59 -1.247 -2.320 -8.962 1.00 0.36 C ATOM 866 C ALA A 59 -0.237 -2.194 -10.083 1.00 0.37 C ATOM 867 O ALA A 59 -0.580 -1.873 -11.220 1.00 0.43 O ATOM 868 CB ALA A 59 -2.588 -2.823 -9.474 1.00 0.44 C ATOM 0 H ALA A 59 -1.461 -0.251 -9.034 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.908 -3.051 -8.227 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.460 -3.809 -9.921 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.292 -2.889 -8.645 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.974 -2.132 -10.223 1.00 0.44 H new ATOM 874 N LEU A 60 1.017 -2.409 -9.734 1.00 0.37 N ATOM 875 CA LEU A 60 2.107 -2.275 -10.688 1.00 0.45 C ATOM 876 C LEU A 60 2.471 -3.601 -11.329 1.00 0.39 C ATOM 877 O LEU A 60 2.292 -4.667 -10.740 1.00 0.38 O ATOM 878 CB LEU A 60 3.325 -1.648 -10.001 1.00 0.56 C ATOM 879 CG LEU A 60 4.660 -1.806 -10.731 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.579 -0.637 -10.417 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.326 -3.108 -10.326 1.00 0.98 C ATOM 0 H LEU A 60 1.309 -2.678 -8.795 1.00 0.37 H new ATOM 0 HA LEU A 60 1.771 -1.619 -11.491 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.132 -0.584 -9.863 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.422 -2.086 -9.007 1.00 0.56 H new ATOM 0 HG LEU A 60 4.467 -1.822 -11.804 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.524 -0.765 -10.944 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.108 0.292 -10.737 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.765 -0.598 -9.344 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.275 -3.210 -10.852 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.505 -3.106 -9.251 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.677 -3.945 -10.584 1.00 0.98 H new ATOM 893 N GLU A 61 2.990 -3.514 -12.545 1.00 0.39 N ATOM 894 CA GLU A 61 3.394 -4.687 -13.293 1.00 0.38 C ATOM 895 C GLU A 61 4.893 -4.924 -13.148 1.00 0.36 C ATOM 896 O GLU A 61 5.693 -4.381 -13.910 1.00 0.38 O ATOM 897 CB GLU A 61 3.031 -4.515 -14.765 1.00 0.44 C ATOM 898 CG GLU A 61 3.198 -5.785 -15.567 1.00 1.08 C ATOM 899 CD GLU A 61 2.730 -5.646 -17.002 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.282 -4.541 -17.375 1.00 1.24 O ATOM 901 OE2 GLU A 61 2.808 -6.642 -17.752 1.00 1.39 O ATOM 0 H GLU A 61 3.141 -2.632 -13.035 1.00 0.39 H new ATOM 0 HA GLU A 61 2.867 -5.554 -12.894 1.00 0.38 H new ATOM 0 HB2 GLU A 61 1.998 -4.177 -14.841 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.655 -3.733 -15.198 1.00 0.44 H new ATOM 0 HG2 GLU A 61 4.248 -6.077 -15.560 1.00 1.08 H new ATOM 0 HG3 GLU A 61 2.641 -6.588 -15.085 1.00 1.08 H new ATOM 908 N THR A 62 5.264 -5.730 -12.161 1.00 0.39 N ATOM 909 CA THR A 62 6.657 -6.034 -11.908 1.00 0.43 C ATOM 910 C THR A 62 7.004 -7.439 -12.374 1.00 0.39 C ATOM 911 O THR A 62 6.146 -8.200 -12.825 1.00 0.43 O ATOM 912 CB THR A 62 6.963 -5.895 -10.410 1.00 0.54 C ATOM 913 OG1 THR A 62 8.278 -6.318 -10.112 1.00 1.47 O ATOM 914 CG2 THR A 62 6.017 -6.682 -9.529 1.00 1.02 C ATOM 0 H THR A 62 4.612 -6.185 -11.522 1.00 0.39 H new ATOM 0 HA THR A 62 7.265 -5.325 -12.470 1.00 0.43 H new ATOM 0 HB THR A 62 6.839 -4.833 -10.197 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.902 -5.578 -10.265 1.00 1.47 H new ATOM 0 HG21 THR A 62 6.290 -6.539 -8.483 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.997 -6.334 -9.689 1.00 1.02 H new ATOM 0 HG23 THR A 62 6.082 -7.741 -9.780 1.00 1.02 H new ATOM 922 N SER A 63 8.266 -7.770 -12.217 1.00 0.40 N ATOM 923 CA SER A 63 8.799 -9.078 -12.560 1.00 0.44 C ATOM 924 C SER A 63 9.773 -9.437 -11.465 1.00 0.44 C ATOM 925 O SER A 63 10.495 -10.433 -11.512 1.00 0.64 O ATOM 926 CB SER A 63 9.499 -9.041 -13.921 1.00 0.56 C ATOM 927 OG SER A 63 8.588 -8.708 -14.954 1.00 1.23 O ATOM 0 H SER A 63 8.966 -7.130 -11.841 1.00 0.40 H new ATOM 0 HA SER A 63 8.004 -9.819 -12.639 1.00 0.44 H new ATOM 0 HB2 SER A 63 10.309 -8.312 -13.897 1.00 0.56 H new ATOM 0 HB3 SER A 63 9.950 -10.012 -14.128 1.00 0.56 H new ATOM 0 HG SER A 63 9.060 -8.689 -15.813 1.00 1.23 H new ATOM 933 N LEU A 64 9.760 -8.558 -10.476 1.00 0.39 N ATOM 934 CA LEU A 64 10.595 -8.642 -9.305 1.00 0.38 C ATOM 935 C LEU A 64 9.745 -8.993 -8.102 1.00 0.35 C ATOM 936 O LEU A 64 8.987 -8.151 -7.619 1.00 0.39 O ATOM 937 CB LEU A 64 11.241 -7.275 -9.084 1.00 0.42 C ATOM 938 CG LEU A 64 11.620 -6.539 -10.366 1.00 0.50 C ATOM 939 CD1 LEU A 64 12.200 -5.173 -10.041 1.00 0.78 C ATOM 940 CD2 LEU A 64 12.607 -7.361 -11.181 1.00 0.84 C ATOM 0 H LEU A 64 9.146 -7.743 -10.473 1.00 0.39 H new ATOM 0 HA LEU A 64 11.358 -9.408 -9.439 1.00 0.38 H new ATOM 0 HB2 LEU A 64 10.555 -6.651 -8.511 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.136 -7.404 -8.476 1.00 0.42 H new ATOM 0 HG LEU A 64 10.719 -6.397 -10.963 1.00 0.50 H new ATOM 0 HD11 LEU A 64 12.465 -4.661 -10.966 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.461 -4.583 -9.499 1.00 0.78 H new ATOM 0 HD13 LEU A 64 13.091 -5.293 -9.425 1.00 0.78 H new ATOM 0 HD21 LEU A 64 12.866 -6.821 -12.092 1.00 0.84 H new ATOM 0 HD22 LEU A 64 13.508 -7.535 -10.593 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.155 -8.318 -11.443 1.00 0.84 H new ATOM 952 N ALA A 65 9.863 -10.224 -7.618 1.00 0.38 N ATOM 953 CA ALA A 65 9.087 -10.646 -6.465 1.00 0.42 C ATOM 954 C ALA A 65 9.053 -9.524 -5.434 1.00 0.39 C ATOM 955 O ALA A 65 10.100 -9.017 -5.048 1.00 0.38 O ATOM 956 CB ALA A 65 9.672 -11.914 -5.861 1.00 0.52 C ATOM 0 H ALA A 65 10.482 -10.938 -8.003 1.00 0.38 H new ATOM 0 HA ALA A 65 8.068 -10.866 -6.783 1.00 0.42 H new ATOM 0 HB1 ALA A 65 9.077 -12.214 -4.999 1.00 0.52 H new ATOM 0 HB2 ALA A 65 9.660 -12.710 -6.605 1.00 0.52 H new ATOM 0 HB3 ALA A 65 10.699 -11.727 -5.546 1.00 0.52 H new ATOM 962 N PRO A 66 7.846 -9.099 -5.009 1.00 0.44 N ATOM 963 CA PRO A 66 7.654 -8.014 -4.040 1.00 0.47 C ATOM 964 C PRO A 66 8.718 -7.935 -2.962 1.00 0.45 C ATOM 965 O PRO A 66 8.877 -6.903 -2.336 1.00 0.49 O ATOM 966 CB PRO A 66 6.318 -8.385 -3.425 1.00 0.55 C ATOM 967 CG PRO A 66 5.549 -8.901 -4.580 1.00 0.57 C ATOM 968 CD PRO A 66 6.544 -9.620 -5.464 1.00 0.50 C ATOM 0 HA PRO A 66 7.705 -7.036 -4.518 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.428 -9.138 -2.645 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.831 -7.523 -2.969 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.761 -9.578 -4.251 1.00 0.57 H new ATOM 0 HG3 PRO A 66 5.066 -8.087 -5.120 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.480 -10.701 -5.344 1.00 0.50 H new ATOM 0 HD3 PRO A 66 6.372 -9.406 -6.519 1.00 0.50 H new ATOM 976 N GLU A 67 9.450 -9.014 -2.755 1.00 0.45 N ATOM 977 CA GLU A 67 10.498 -9.028 -1.760 1.00 0.49 C ATOM 978 C GLU A 67 11.515 -7.947 -2.096 1.00 0.44 C ATOM 979 O GLU A 67 11.946 -7.177 -1.238 1.00 0.47 O ATOM 980 CB GLU A 67 11.163 -10.403 -1.737 1.00 0.52 C ATOM 981 CG GLU A 67 10.164 -11.545 -1.652 1.00 0.71 C ATOM 982 CD GLU A 67 10.820 -12.907 -1.754 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.459 -13.184 -2.791 1.00 1.20 O ATOM 984 OE2 GLU A 67 10.695 -13.699 -0.796 1.00 1.06 O ATOM 0 H GLU A 67 9.336 -9.890 -3.264 1.00 0.45 H new ATOM 0 HA GLU A 67 10.080 -8.829 -0.773 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.768 -10.523 -2.636 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.842 -10.458 -0.886 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.621 -11.478 -0.709 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.430 -11.440 -2.451 1.00 0.71 H new ATOM 991 N GLU A 68 11.865 -7.893 -3.375 1.00 0.40 N ATOM 992 CA GLU A 68 12.808 -6.915 -3.890 1.00 0.39 C ATOM 993 C GLU A 68 12.151 -5.547 -4.017 1.00 0.35 C ATOM 994 O GLU A 68 12.612 -4.570 -3.427 1.00 0.40 O ATOM 995 CB GLU A 68 13.313 -7.367 -5.255 1.00 0.41 C ATOM 996 CG GLU A 68 13.985 -8.729 -5.240 1.00 0.97 C ATOM 997 CD GLU A 68 15.264 -8.751 -4.419 1.00 1.52 C ATOM 998 OE1 GLU A 68 15.660 -7.686 -3.899 1.00 1.90 O ATOM 999 OE2 GLU A 68 15.871 -9.836 -4.301 1.00 2.06 O ATOM 0 H GLU A 68 11.500 -8.529 -4.084 1.00 0.40 H new ATOM 0 HA GLU A 68 13.643 -6.835 -3.194 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.475 -7.393 -5.952 1.00 0.41 H new ATOM 0 HB3 GLU A 68 14.019 -6.628 -5.634 1.00 0.41 H new ATOM 0 HG2 GLU A 68 13.290 -9.467 -4.839 1.00 0.97 H new ATOM 0 HG3 GLU A 68 14.212 -9.028 -6.264 1.00 0.97 H new ATOM 1006 N LEU A 69 11.069 -5.489 -4.793 1.00 0.32 N ATOM 1007 CA LEU A 69 10.341 -4.244 -5.000 1.00 0.33 C ATOM 1008 C LEU A 69 9.955 -3.615 -3.663 1.00 0.34 C ATOM 1009 O LEU A 69 9.832 -2.395 -3.553 1.00 0.44 O ATOM 1010 CB LEU A 69 9.116 -4.489 -5.900 1.00 0.38 C ATOM 1011 CG LEU A 69 7.866 -3.648 -5.599 1.00 0.44 C ATOM 1012 CD1 LEU A 69 6.976 -3.577 -6.828 1.00 0.66 C ATOM 1013 CD2 LEU A 69 7.092 -4.236 -4.425 1.00 0.67 C ATOM 0 H LEU A 69 10.680 -6.292 -5.287 1.00 0.32 H new ATOM 0 HA LEU A 69 10.989 -3.533 -5.512 1.00 0.33 H new ATOM 0 HB2 LEU A 69 9.410 -4.306 -6.934 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.844 -5.542 -5.828 1.00 0.38 H new ATOM 0 HG LEU A 69 8.184 -2.640 -5.332 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.093 -2.979 -6.604 1.00 0.66 H new ATOM 0 HD12 LEU A 69 7.526 -3.118 -7.650 1.00 0.66 H new ATOM 0 HD13 LEU A 69 6.669 -4.583 -7.114 1.00 0.66 H new ATOM 0 HD21 LEU A 69 6.211 -3.626 -4.228 1.00 0.67 H new ATOM 0 HD22 LEU A 69 6.783 -5.253 -4.666 1.00 0.67 H new ATOM 0 HD23 LEU A 69 7.728 -4.250 -3.540 1.00 0.67 H new ATOM 1025 N LEU A 70 9.800 -4.452 -2.642 1.00 0.39 N ATOM 1026 CA LEU A 70 9.471 -3.974 -1.304 1.00 0.47 C ATOM 1027 C LEU A 70 10.653 -3.196 -0.758 1.00 0.44 C ATOM 1028 O LEU A 70 10.500 -2.116 -0.186 1.00 0.47 O ATOM 1029 CB LEU A 70 9.149 -5.148 -0.377 1.00 0.62 C ATOM 1030 CG LEU A 70 8.784 -4.785 1.060 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.426 -4.111 1.107 1.00 1.48 C ATOM 1032 CD2 LEU A 70 8.796 -6.024 1.939 1.00 1.65 C ATOM 0 H LEU A 70 9.897 -5.465 -2.716 1.00 0.39 H new ATOM 0 HA LEU A 70 8.593 -3.331 -1.357 1.00 0.47 H new ATOM 0 HB2 LEU A 70 8.322 -5.711 -0.810 1.00 0.62 H new ATOM 0 HB3 LEU A 70 10.011 -5.815 -0.355 1.00 0.62 H new ATOM 0 HG LEU A 70 9.528 -4.086 1.441 1.00 0.99 H new ATOM 0 HD11 LEU A 70 7.181 -3.859 2.139 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.450 -3.201 0.507 1.00 1.48 H new ATOM 0 HD13 LEU A 70 6.670 -4.788 0.709 1.00 1.48 H new ATOM 0 HD21 LEU A 70 8.534 -5.748 2.960 1.00 1.65 H new ATOM 0 HD22 LEU A 70 8.072 -6.746 1.561 1.00 1.65 H new ATOM 0 HD23 LEU A 70 9.791 -6.469 1.927 1.00 1.65 H new ATOM 1044 N ASN A 71 11.840 -3.762 -0.956 1.00 0.46 N ATOM 1045 CA ASN A 71 13.072 -3.133 -0.499 1.00 0.50 C ATOM 1046 C ASN A 71 13.341 -1.820 -1.237 1.00 0.41 C ATOM 1047 O ASN A 71 13.836 -0.870 -0.640 1.00 0.44 O ATOM 1048 CB ASN A 71 14.255 -4.087 -0.668 1.00 0.59 C ATOM 1049 CG ASN A 71 14.255 -5.193 0.374 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.113 -6.433 -0.077 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 14.379 -4.932 1.570 1.00 0.72 N flip ATOM 0 H ASN A 71 11.973 -4.655 -1.430 1.00 0.46 H new ATOM 0 HA ASN A 71 12.951 -2.902 0.559 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.224 -4.529 -1.664 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.186 -3.524 -0.598 1.00 0.59 H new ATOM 0 HD21 ASN A 71 14.486 -3.964 1.872 1.00 0.72 H new ATOM 0 HD22 ASN A 71 14.375 -5.684 2.259 1.00 0.72 H new ATOM 1058 N HIS A 72 13.013 -1.763 -2.532 1.00 0.37 N ATOM 1059 CA HIS A 72 13.228 -0.550 -3.317 1.00 0.35 C ATOM 1060 C HIS A 72 12.366 0.598 -2.800 1.00 0.32 C ATOM 1061 O HIS A 72 12.871 1.657 -2.440 1.00 0.35 O ATOM 1062 CB HIS A 72 12.916 -0.803 -4.792 1.00 0.39 C ATOM 1063 CG HIS A 72 13.841 -1.787 -5.438 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.204 -1.592 -5.534 1.00 1.07 N ATOM 1065 CD2 HIS A 72 13.593 -2.984 -6.022 1.00 0.61 C ATOM 1066 CE1 HIS A 72 15.754 -2.625 -6.148 1.00 1.40 C ATOM 1067 NE2 HIS A 72 14.797 -3.483 -6.453 1.00 1.11 N ATOM 0 H HIS A 72 12.601 -2.538 -3.052 1.00 0.37 H new ATOM 0 HA HIS A 72 14.277 -0.271 -3.216 1.00 0.35 H new ATOM 0 HB2 HIS A 72 11.892 -1.166 -4.881 1.00 0.39 H new ATOM 0 HB3 HIS A 72 12.968 0.142 -5.333 1.00 0.39 H new ATOM 0 HD2 HIS A 72 12.628 -3.457 -6.129 1.00 0.61 H new ATOM 0 HE1 HIS A 72 16.805 -2.747 -6.363 1.00 1.40 H new ATOM 0 HE2 HIS A 72 14.931 -4.374 -6.932 1.00 1.11 H new ATOM 1076 N THR A 73 11.059 0.384 -2.775 1.00 0.34 N ATOM 1077 CA THR A 73 10.135 1.408 -2.308 1.00 0.38 C ATOM 1078 C THR A 73 10.498 1.879 -0.901 1.00 0.36 C ATOM 1079 O THR A 73 10.596 3.081 -0.636 1.00 0.36 O ATOM 1080 CB THR A 73 8.709 0.868 -2.332 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.575 -0.236 -1.456 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.270 0.418 -3.709 1.00 0.61 C ATOM 0 H THR A 73 10.615 -0.485 -3.071 1.00 0.34 H new ATOM 0 HA THR A 73 10.207 2.265 -2.977 1.00 0.38 H new ATOM 0 HB THR A 73 8.077 1.698 -2.016 1.00 0.47 H new ATOM 0 HG1 THR A 73 8.892 -1.048 -1.903 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.247 0.044 -3.661 1.00 0.61 H new ATOM 0 HG22 THR A 73 8.316 1.260 -4.399 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.930 -0.375 -4.060 1.00 0.61 H new ATOM 1090 N GLN A 74 10.698 0.925 0.000 1.00 0.39 N ATOM 1091 CA GLN A 74 11.046 1.242 1.375 1.00 0.42 C ATOM 1092 C GLN A 74 12.459 1.796 1.486 1.00 0.41 C ATOM 1093 O GLN A 74 12.750 2.544 2.413 1.00 0.50 O ATOM 1094 CB GLN A 74 10.901 0.018 2.280 1.00 0.49 C ATOM 1095 CG GLN A 74 9.472 -0.472 2.421 1.00 1.45 C ATOM 1096 CD GLN A 74 9.289 -1.378 3.623 1.00 1.87 C ATOM 1097 OE1 GLN A 74 8.937 -2.630 3.371 1.00 2.25 O flip ATOM 1098 NE2 GLN A 74 9.469 -0.956 4.765 1.00 2.54 N flip ATOM 0 H GLN A 74 10.625 -0.073 -0.199 1.00 0.39 H new ATOM 0 HA GLN A 74 10.348 2.011 1.706 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.515 -0.790 1.884 1.00 0.49 H new ATOM 0 HB3 GLN A 74 11.292 0.260 3.268 1.00 0.49 H new ATOM 0 HG2 GLN A 74 8.804 0.385 2.510 1.00 1.45 H new ATOM 0 HG3 GLN A 74 9.184 -1.009 1.517 1.00 1.45 H new ATOM 0 HE21 GLN A 74 9.740 0.016 4.913 1.00 2.54 H new ATOM 0 HE22 GLN A 74 9.348 -1.579 5.564 1.00 2.54 H new ATOM 1107 N ARG A 75 13.340 1.452 0.545 1.00 0.37 N ATOM 1108 CA ARG A 75 14.706 1.969 0.601 1.00 0.41 C ATOM 1109 C ARG A 75 14.623 3.479 0.612 1.00 0.39 C ATOM 1110 O ARG A 75 15.417 4.172 1.254 1.00 0.43 O ATOM 1111 CB ARG A 75 15.560 1.477 -0.578 1.00 0.48 C ATOM 1112 CG ARG A 75 15.505 2.364 -1.814 1.00 0.89 C ATOM 1113 CD ARG A 75 16.216 1.721 -2.993 1.00 0.88 C ATOM 1114 NE ARG A 75 16.162 2.559 -4.189 1.00 1.59 N ATOM 1115 CZ ARG A 75 16.691 2.211 -5.358 1.00 2.26 C ATOM 1116 NH1 ARG A 75 17.307 1.042 -5.492 1.00 2.72 N ATOM 1117 NH2 ARG A 75 16.603 3.031 -6.397 1.00 3.06 N ATOM 0 H ARG A 75 13.140 0.836 -0.243 1.00 0.37 H new ATOM 0 HA ARG A 75 15.196 1.602 1.503 1.00 0.41 H new ATOM 0 HB2 ARG A 75 16.596 1.397 -0.250 1.00 0.48 H new ATOM 0 HB3 ARG A 75 15.234 0.474 -0.852 1.00 0.48 H new ATOM 0 HG2 ARG A 75 14.465 2.559 -2.077 1.00 0.89 H new ATOM 0 HG3 ARG A 75 15.964 3.328 -1.592 1.00 0.89 H new ATOM 0 HD2 ARG A 75 17.257 1.532 -2.729 1.00 0.88 H new ATOM 0 HD3 ARG A 75 15.761 0.754 -3.207 1.00 0.88 H new ATOM 0 HE ARG A 75 15.692 3.462 -4.123 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.376 0.407 -4.696 1.00 2.72 H new ATOM 0 HH12 ARG A 75 17.712 0.779 -6.391 1.00 2.72 H new ATOM 0 HH21 ARG A 75 16.129 3.929 -6.299 1.00 3.06 H new ATOM 0 HH22 ARG A 75 17.009 2.763 -7.294 1.00 3.06 H new ATOM 1131 N ILE A 76 13.612 3.972 -0.086 1.00 0.38 N ATOM 1132 CA ILE A 76 13.359 5.388 -0.157 1.00 0.41 C ATOM 1133 C ILE A 76 12.934 5.902 1.208 1.00 0.42 C ATOM 1134 O ILE A 76 13.626 6.720 1.802 1.00 0.44 O ATOM 1135 CB ILE A 76 12.266 5.714 -1.188 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.521 4.943 -2.491 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.226 7.212 -1.444 1.00 0.50 C ATOM 1138 CD1 ILE A 76 13.822 5.313 -3.177 1.00 0.83 C ATOM 0 H ILE A 76 12.952 3.400 -0.613 1.00 0.38 H new ATOM 0 HA ILE A 76 14.281 5.878 -0.471 1.00 0.41 H new ATOM 0 HB ILE A 76 11.298 5.405 -0.794 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.526 3.875 -2.275 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.694 5.125 -3.178 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.449 7.436 -2.175 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.008 7.735 -0.513 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.192 7.541 -1.828 1.00 0.50 H new ATOM 0 HD11 ILE A 76 13.932 4.727 -4.090 1.00 0.83 H new ATOM 0 HD12 ILE A 76 13.813 6.374 -3.426 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.658 5.104 -2.509 1.00 0.83 H new ATOM 1150 N GLU A 77 11.799 5.406 1.715 1.00 0.44 N ATOM 1151 CA GLU A 77 11.312 5.835 3.024 1.00 0.47 C ATOM 1152 C GLU A 77 12.382 5.644 4.098 1.00 0.48 C ATOM 1153 O GLU A 77 12.352 6.302 5.137 1.00 0.54 O ATOM 1154 CB GLU A 77 10.006 5.125 3.416 1.00 0.50 C ATOM 1155 CG GLU A 77 10.090 3.610 3.549 1.00 0.66 C ATOM 1156 CD GLU A 77 10.853 3.169 4.784 1.00 0.97 C ATOM 1157 OE1 GLU A 77 10.510 3.639 5.888 1.00 1.43 O ATOM 1158 OE2 GLU A 77 11.778 2.342 4.653 1.00 1.32 O ATOM 0 H GLU A 77 11.211 4.718 1.245 1.00 0.44 H new ATOM 0 HA GLU A 77 11.089 6.899 2.949 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.662 5.536 4.365 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.247 5.364 2.671 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.082 3.197 3.584 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.573 3.198 2.663 1.00 0.66 H new ATOM 1165 N LEU A 78 13.345 4.760 3.830 1.00 0.45 N ATOM 1166 CA LEU A 78 14.434 4.519 4.770 1.00 0.49 C ATOM 1167 C LEU A 78 15.252 5.791 4.950 1.00 0.49 C ATOM 1168 O LEU A 78 15.624 6.152 6.066 1.00 0.59 O ATOM 1169 CB LEU A 78 15.345 3.384 4.285 1.00 0.53 C ATOM 1170 CG LEU A 78 14.773 1.971 4.419 1.00 0.88 C ATOM 1171 CD1 LEU A 78 15.731 0.952 3.821 1.00 1.66 C ATOM 1172 CD2 LEU A 78 14.494 1.640 5.877 1.00 1.52 C ATOM 0 H LEU A 78 13.391 4.204 2.976 1.00 0.45 H new ATOM 0 HA LEU A 78 13.998 4.224 5.725 1.00 0.49 H new ATOM 0 HB2 LEU A 78 15.588 3.560 3.237 1.00 0.53 H new ATOM 0 HB3 LEU A 78 16.281 3.431 4.841 1.00 0.53 H new ATOM 0 HG LEU A 78 13.832 1.930 3.871 1.00 0.88 H new ATOM 0 HD11 LEU A 78 15.310 -0.048 3.924 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.885 1.174 2.765 1.00 1.66 H new ATOM 0 HD13 LEU A 78 16.686 0.999 4.345 1.00 1.66 H new ATOM 0 HD21 LEU A 78 14.088 0.631 5.950 1.00 1.52 H new ATOM 0 HD22 LEU A 78 15.421 1.700 6.448 1.00 1.52 H new ATOM 0 HD23 LEU A 78 13.773 2.351 6.280 1.00 1.52 H new ATOM 1184 N GLN A 79 15.525 6.468 3.837 1.00 0.47 N ATOM 1185 CA GLN A 79 16.298 7.707 3.868 1.00 0.52 C ATOM 1186 C GLN A 79 15.502 8.872 3.281 1.00 0.53 C ATOM 1187 O GLN A 79 16.070 9.904 2.922 1.00 0.72 O ATOM 1188 CB GLN A 79 17.610 7.530 3.101 1.00 0.63 C ATOM 1189 CG GLN A 79 17.419 7.101 1.656 1.00 1.12 C ATOM 1190 CD GLN A 79 18.734 6.877 0.935 1.00 1.67 C ATOM 1191 OE1 GLN A 79 19.540 7.796 0.794 1.00 2.24 O ATOM 1192 NE2 GLN A 79 18.956 5.651 0.480 1.00 2.32 N ATOM 0 H GLN A 79 15.224 6.181 2.906 1.00 0.47 H new ATOM 0 HA GLN A 79 16.519 7.939 4.910 1.00 0.52 H new ATOM 0 HB2 GLN A 79 18.163 8.469 3.122 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.223 6.788 3.613 1.00 0.63 H new ATOM 0 HG2 GLN A 79 16.833 6.183 1.628 1.00 1.12 H new ATOM 0 HG3 GLN A 79 16.845 7.862 1.128 1.00 1.12 H new ATOM 0 HE21 GLN A 79 18.258 4.921 0.621 1.00 2.32 H new ATOM 0 HE22 GLN A 79 19.825 5.439 -0.010 1.00 2.32 H new ATOM 1201 N GLN A 80 14.183 8.706 3.192 1.00 0.61 N ATOM 1202 CA GLN A 80 13.315 9.751 2.658 1.00 0.72 C ATOM 1203 C GLN A 80 12.231 10.112 3.670 1.00 0.88 C ATOM 1204 O GLN A 80 11.618 11.176 3.582 1.00 1.15 O ATOM 1205 CB GLN A 80 12.671 9.311 1.332 1.00 0.74 C ATOM 1206 CG GLN A 80 11.845 10.400 0.660 1.00 1.27 C ATOM 1207 CD GLN A 80 12.677 11.598 0.244 1.00 1.51 C ATOM 1208 OE1 GLN A 80 13.280 12.272 1.077 1.00 2.00 O ATOM 1209 NE2 GLN A 80 12.712 11.870 -1.056 1.00 2.07 N ATOM 0 H GLN A 80 13.694 7.859 3.482 1.00 0.61 H new ATOM 0 HA GLN A 80 13.929 10.631 2.466 1.00 0.72 H new ATOM 0 HB2 GLN A 80 13.455 8.988 0.647 1.00 0.74 H new ATOM 0 HB3 GLN A 80 12.034 8.446 1.517 1.00 0.74 H new ATOM 0 HG2 GLN A 80 11.351 9.985 -0.218 1.00 1.27 H new ATOM 0 HG3 GLN A 80 11.061 10.728 1.342 1.00 1.27 H new ATOM 0 HE21 GLN A 80 12.197 11.285 -1.714 1.00 2.07 H new ATOM 0 HE22 GLN A 80 13.254 12.664 -1.396 1.00 2.07 H new ATOM 1218 N GLY A 81 11.997 9.216 4.627 1.00 0.99 N ATOM 1219 CA GLY A 81 10.986 9.459 5.635 1.00 1.25 C ATOM 1220 C GLY A 81 11.181 8.634 6.896 1.00 1.79 C ATOM 1221 O GLY A 81 10.205 8.211 7.517 1.00 2.18 O ATOM 0 H GLY A 81 12.491 8.328 4.720 1.00 0.99 H new ATOM 0 HA2 GLY A 81 10.992 10.517 5.897 1.00 1.25 H new ATOM 0 HA3 GLY A 81 10.004 9.240 5.215 1.00 1.25 H new ATOM 1429 N THR A 93 7.223 7.733 8.052 1.00 1.14 N ATOM 1430 CA THR A 93 7.694 6.463 7.513 1.00 1.33 C ATOM 1431 C THR A 93 6.682 5.860 6.552 1.00 1.11 C ATOM 1432 O THR A 93 5.588 5.451 6.944 1.00 1.61 O ATOM 1433 CB THR A 93 8.022 5.473 8.634 1.00 1.94 C ATOM 1434 OG1 THR A 93 9.041 5.986 9.472 1.00 2.57 O ATOM 1435 CG2 THR A 93 8.484 4.123 8.126 1.00 2.58 C ATOM 0 HA THR A 93 8.610 6.666 6.958 1.00 1.33 H new ATOM 0 HB THR A 93 7.089 5.338 9.181 1.00 1.94 H new ATOM 0 HG1 THR A 93 9.516 6.705 9.006 1.00 2.57 H new ATOM 0 HG21 THR A 93 8.700 3.470 8.972 1.00 2.58 H new ATOM 0 HG22 THR A 93 7.700 3.677 7.514 1.00 2.58 H new ATOM 0 HG23 THR A 93 9.385 4.249 7.526 1.00 2.58 H new ATOM 1443 N LEU A 94 7.073 5.812 5.288 1.00 0.80 N ATOM 1444 CA LEU A 94 6.242 5.266 4.230 1.00 0.54 C ATOM 1445 C LEU A 94 6.223 3.739 4.312 1.00 0.52 C ATOM 1446 O LEU A 94 7.211 3.128 4.720 1.00 0.65 O ATOM 1447 CB LEU A 94 6.804 5.721 2.887 1.00 0.48 C ATOM 1448 CG LEU A 94 5.972 5.367 1.665 1.00 0.52 C ATOM 1449 CD1 LEU A 94 4.634 6.092 1.686 1.00 1.39 C ATOM 1450 CD2 LEU A 94 6.748 5.694 0.407 1.00 1.37 C ATOM 0 H LEU A 94 7.980 6.152 4.967 1.00 0.80 H new ATOM 0 HA LEU A 94 5.218 5.624 4.338 1.00 0.54 H new ATOM 0 HB2 LEU A 94 6.930 6.803 2.916 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.797 5.288 2.765 1.00 0.48 H new ATOM 0 HG LEU A 94 5.763 4.297 1.680 1.00 0.52 H new ATOM 0 HD11 LEU A 94 4.059 5.821 0.801 1.00 1.39 H new ATOM 0 HD12 LEU A 94 4.080 5.807 2.580 1.00 1.39 H new ATOM 0 HD13 LEU A 94 4.804 7.169 1.692 1.00 1.39 H new ATOM 0 HD21 LEU A 94 6.149 5.439 -0.467 1.00 1.37 H new ATOM 0 HD22 LEU A 94 6.980 6.759 0.389 1.00 1.37 H new ATOM 0 HD23 LEU A 94 7.675 5.120 0.391 1.00 1.37 H new ATOM 1462 N ASP A 95 5.101 3.121 3.942 1.00 0.49 N ATOM 1463 CA ASP A 95 4.997 1.662 4.005 1.00 0.56 C ATOM 1464 C ASP A 95 4.126 1.096 2.884 1.00 0.48 C ATOM 1465 O ASP A 95 2.915 1.309 2.860 1.00 0.65 O ATOM 1466 CB ASP A 95 4.425 1.232 5.359 1.00 0.87 C ATOM 1467 CG ASP A 95 5.294 1.666 6.524 1.00 1.51 C ATOM 1468 OD1 ASP A 95 6.470 1.247 6.576 1.00 1.92 O ATOM 1469 OD2 ASP A 95 4.799 2.423 7.384 1.00 2.19 O ATOM 0 H ASP A 95 4.265 3.597 3.601 1.00 0.49 H new ATOM 0 HA ASP A 95 6.004 1.263 3.881 1.00 0.56 H new ATOM 0 HB2 ASP A 95 3.427 1.654 5.478 1.00 0.87 H new ATOM 0 HB3 ASP A 95 4.317 0.148 5.376 1.00 0.87 H new ATOM 1474 N LEU A 96 4.753 0.356 1.970 1.00 0.48 N ATOM 1475 CA LEU A 96 4.030 -0.263 0.861 1.00 0.63 C ATOM 1476 C LEU A 96 4.561 -1.657 0.548 1.00 0.60 C ATOM 1477 O LEU A 96 5.768 -1.865 0.458 1.00 0.76 O ATOM 1478 CB LEU A 96 4.090 0.598 -0.400 1.00 0.97 C ATOM 1479 CG LEU A 96 5.459 1.169 -0.757 1.00 0.98 C ATOM 1480 CD1 LEU A 96 5.476 1.551 -2.227 1.00 1.91 C ATOM 1481 CD2 LEU A 96 5.777 2.377 0.110 1.00 2.04 C ATOM 0 H LEU A 96 5.756 0.171 1.976 1.00 0.48 H new ATOM 0 HA LEU A 96 2.991 -0.348 1.181 1.00 0.63 H new ATOM 0 HB2 LEU A 96 3.737 0.001 -1.241 1.00 0.97 H new ATOM 0 HB3 LEU A 96 3.392 1.427 -0.283 1.00 0.97 H new ATOM 0 HG LEU A 96 6.222 0.412 -0.573 1.00 0.98 H new ATOM 0 HD11 LEU A 96 6.453 1.959 -2.486 1.00 1.91 H new ATOM 0 HD12 LEU A 96 5.280 0.668 -2.835 1.00 1.91 H new ATOM 0 HD13 LEU A 96 4.708 2.300 -2.417 1.00 1.91 H new ATOM 0 HD21 LEU A 96 6.757 2.770 -0.159 1.00 2.04 H new ATOM 0 HD22 LEU A 96 5.021 3.147 -0.047 1.00 2.04 H new ATOM 0 HD23 LEU A 96 5.781 2.081 1.159 1.00 2.04 H new ATOM 1493 N ASP A 97 3.641 -2.602 0.371 1.00 0.55 N ATOM 1494 CA ASP A 97 3.996 -3.985 0.054 1.00 0.62 C ATOM 1495 C ASP A 97 2.935 -4.623 -0.826 1.00 0.56 C ATOM 1496 O ASP A 97 1.738 -4.467 -0.584 1.00 0.70 O ATOM 1497 CB ASP A 97 4.163 -4.800 1.340 1.00 0.79 C ATOM 1498 CG ASP A 97 2.899 -4.825 2.177 1.00 1.45 C ATOM 1499 OD1 ASP A 97 2.437 -3.738 2.588 1.00 1.98 O ATOM 1500 OD2 ASP A 97 2.371 -5.929 2.424 1.00 2.17 O ATOM 0 H ASP A 97 2.637 -2.435 0.442 1.00 0.55 H new ATOM 0 HA ASP A 97 4.942 -3.978 -0.488 1.00 0.62 H new ATOM 0 HB2 ASP A 97 4.447 -5.821 1.085 1.00 0.79 H new ATOM 0 HB3 ASP A 97 4.978 -4.380 1.930 1.00 0.79 H new ATOM 1505 N ILE A 98 3.379 -5.345 -1.847 1.00 0.69 N ATOM 1506 CA ILE A 98 2.460 -6.007 -2.755 1.00 0.63 C ATOM 1507 C ILE A 98 1.708 -7.121 -2.043 1.00 0.67 C ATOM 1508 O ILE A 98 2.308 -8.045 -1.491 1.00 0.93 O ATOM 1509 CB ILE A 98 3.181 -6.583 -3.982 1.00 0.74 C ATOM 1510 CG1 ILE A 98 3.944 -5.481 -4.710 1.00 1.91 C ATOM 1511 CG2 ILE A 98 2.181 -7.251 -4.910 1.00 1.40 C ATOM 1512 CD1 ILE A 98 4.667 -5.952 -5.955 1.00 2.73 C ATOM 0 H ILE A 98 4.366 -5.485 -2.064 1.00 0.69 H new ATOM 0 HA ILE A 98 1.754 -5.250 -3.097 1.00 0.63 H new ATOM 0 HB ILE A 98 3.898 -7.335 -3.652 1.00 0.74 H new ATOM 0 HG12 ILE A 98 3.246 -4.690 -4.985 1.00 1.91 H new ATOM 0 HG13 ILE A 98 4.669 -5.042 -4.025 1.00 1.91 H new ATOM 0 HG21 ILE A 98 2.703 -7.656 -5.777 1.00 1.40 H new ATOM 0 HG22 ILE A 98 1.676 -8.059 -4.380 1.00 1.40 H new ATOM 0 HG23 ILE A 98 1.445 -6.518 -5.240 1.00 1.40 H new ATOM 0 HD11 ILE A 98 5.185 -5.111 -6.415 1.00 2.73 H new ATOM 0 HD12 ILE A 98 5.391 -6.721 -5.686 1.00 2.73 H new ATOM 0 HD13 ILE A 98 3.946 -6.364 -6.661 1.00 2.73 H new ATOM 1524 N MET A 99 0.391 -7.010 -2.049 1.00 0.53 N ATOM 1525 CA MET A 99 -0.471 -7.981 -1.400 1.00 0.63 C ATOM 1526 C MET A 99 -0.857 -9.106 -2.356 1.00 0.63 C ATOM 1527 O MET A 99 -1.198 -10.203 -1.926 1.00 0.87 O ATOM 1528 CB MET A 99 -1.725 -7.271 -0.892 1.00 0.70 C ATOM 1529 CG MET A 99 -1.425 -6.082 0.007 1.00 0.93 C ATOM 1530 SD MET A 99 -2.901 -5.139 0.437 1.00 1.77 S ATOM 1531 CE MET A 99 -3.393 -4.531 -1.174 1.00 2.48 C ATOM 0 H MET A 99 -0.110 -6.246 -2.503 1.00 0.53 H new ATOM 0 HA MET A 99 0.069 -8.427 -0.565 1.00 0.63 H new ATOM 0 HB2 MET A 99 -2.312 -6.932 -1.745 1.00 0.70 H new ATOM 0 HB3 MET A 99 -2.341 -7.985 -0.344 1.00 0.70 H new ATOM 0 HG2 MET A 99 -0.946 -6.435 0.920 1.00 0.93 H new ATOM 0 HG3 MET A 99 -0.713 -5.425 -0.493 1.00 0.93 H new ATOM 0 HE1 MET A 99 -3.498 -3.447 -1.137 1.00 2.48 H new ATOM 0 HE2 MET A 99 -2.635 -4.798 -1.911 1.00 2.48 H new ATOM 0 HE3 MET A 99 -4.346 -4.978 -1.456 1.00 2.48 H new ATOM 1541 N LEU A 100 -0.819 -8.818 -3.654 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.186 -9.805 -4.675 1.00 0.55 C ATOM 1543 C LEU A 100 -0.088 -9.984 -5.724 1.00 0.54 C ATOM 1544 O LEU A 100 0.392 -9.010 -6.296 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.473 -9.378 -5.396 1.00 0.75 C ATOM 1546 CG LEU A 100 -3.739 -9.293 -4.538 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -3.994 -10.610 -3.828 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -3.648 -8.149 -3.541 1.00 1.69 C ATOM 0 H LEU A 100 -0.539 -7.911 -4.027 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.334 -10.751 -4.154 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -2.302 -8.402 -5.850 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.658 -10.080 -6.209 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.582 -9.093 -5.199 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -4.898 -10.529 -3.224 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -4.121 -11.402 -4.566 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -3.147 -10.846 -3.184 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -4.560 -8.112 -2.945 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -2.792 -8.306 -2.885 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -3.527 -7.208 -4.077 1.00 1.69 H new ATOM 1560 N PHE A 101 0.276 -11.235 -6.013 1.00 0.46 N ATOM 1561 CA PHE A 101 1.284 -11.510 -7.036 1.00 0.46 C ATOM 1562 C PHE A 101 0.605 -12.166 -8.233 1.00 0.51 C ATOM 1563 O PHE A 101 0.670 -13.383 -8.411 1.00 0.58 O ATOM 1564 CB PHE A 101 2.395 -12.411 -6.488 1.00 0.45 C ATOM 1565 CG PHE A 101 3.529 -12.629 -7.453 1.00 0.51 C ATOM 1566 CD1 PHE A 101 4.169 -11.553 -8.045 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.954 -13.911 -7.767 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.211 -11.749 -8.931 1.00 0.65 C ATOM 1569 CE2 PHE A 101 4.994 -14.115 -8.653 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.624 -13.034 -9.235 1.00 0.71 C ATOM 0 H PHE A 101 -0.107 -12.064 -5.559 1.00 0.46 H new ATOM 0 HA PHE A 101 1.746 -10.572 -7.343 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.789 -11.971 -5.572 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.968 -13.377 -6.219 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.850 -10.548 -7.811 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.466 -14.761 -7.313 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.702 -10.901 -9.385 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.314 -15.119 -8.890 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.438 -13.191 -9.927 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.090 -11.350 -9.024 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.824 -11.859 -10.164 1.00 0.65 C ATOM 1582 C GLY A 102 -2.183 -12.368 -9.729 1.00 0.67 C ATOM 1583 O GLY A 102 -3.169 -12.227 -10.453 1.00 0.99 O ATOM 0 H GLY A 102 -0.156 -10.341 -8.892 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.944 -11.072 -10.909 1.00 0.65 H new ATOM 0 HA3 GLY A 102 -0.261 -12.663 -10.638 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.186 -12.957 -8.524 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.357 -13.541 -7.856 1.00 0.64 C ATOM 1589 C ASN A 103 -3.087 -15.017 -7.657 1.00 0.71 C ATOM 1590 O ASN A 103 -3.972 -15.795 -7.299 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.671 -13.350 -8.620 1.00 0.78 C ATOM 1592 CG ASN A 103 -4.878 -14.402 -9.692 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -6.008 -15.085 -9.623 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -4.036 -14.592 -10.570 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.337 -13.043 -7.966 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.493 -13.019 -6.909 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -5.504 -13.383 -7.918 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -4.680 -12.361 -9.079 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -3.178 -14.040 -10.582 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -4.196 -15.302 -11.285 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.833 -15.380 -7.893 1.00 0.53 N ATOM 1602 CA GLU A 104 -1.377 -16.743 -7.751 1.00 0.61 C ATOM 1603 C GLU A 104 -1.300 -17.095 -6.272 1.00 0.64 C ATOM 1604 O GLU A 104 -1.593 -16.261 -5.425 1.00 0.84 O ATOM 1605 CB GLU A 104 -0.003 -16.863 -8.414 1.00 0.70 C ATOM 1606 CG GLU A 104 0.509 -18.286 -8.532 1.00 1.16 C ATOM 1607 CD GLU A 104 -0.413 -19.176 -9.342 1.00 1.28 C ATOM 1608 OE1 GLU A 104 -0.645 -18.866 -10.530 1.00 1.87 O ATOM 1609 OE2 GLU A 104 -0.901 -20.183 -8.790 1.00 1.79 O ATOM 0 H GLU A 104 -1.106 -14.729 -8.189 1.00 0.53 H new ATOM 0 HA GLU A 104 -2.068 -17.436 -8.232 1.00 0.61 H new ATOM 0 HB2 GLU A 104 -0.053 -16.423 -9.410 1.00 0.70 H new ATOM 0 HB3 GLU A 104 0.716 -16.276 -7.842 1.00 0.70 H new ATOM 0 HG2 GLU A 104 1.496 -18.275 -8.995 1.00 1.16 H new ATOM 0 HG3 GLU A 104 0.630 -18.708 -7.534 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.899 -18.312 -5.951 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.789 -18.703 -4.556 1.00 0.66 C ATOM 1618 C VAL A 105 0.675 -18.840 -4.173 1.00 0.70 C ATOM 1619 O VAL A 105 1.263 -19.917 -4.279 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.528 -20.023 -4.264 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.474 -20.353 -2.780 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.967 -19.947 -4.750 1.00 0.95 C ATOM 0 H VAL A 105 -0.648 -19.036 -6.624 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.259 -17.922 -3.959 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.027 -20.825 -4.806 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -2.002 -21.289 -2.596 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.435 -20.455 -2.468 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -1.947 -19.552 -2.212 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.474 -20.888 -4.536 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.481 -19.133 -4.239 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.979 -19.765 -5.825 1.00 0.95 H new ATOM 1632 N ILE A 106 1.259 -17.730 -3.754 1.00 0.65 N ATOM 1633 CA ILE A 106 2.662 -17.695 -3.380 1.00 0.72 C ATOM 1634 C ILE A 106 2.879 -16.880 -2.107 1.00 0.77 C ATOM 1635 O ILE A 106 2.889 -15.648 -2.133 1.00 0.84 O ATOM 1636 CB ILE A 106 3.489 -17.108 -4.542 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.893 -16.701 -4.092 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.759 -15.927 -5.159 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.656 -15.944 -5.158 1.00 0.76 C ATOM 0 H ILE A 106 0.778 -16.835 -3.664 1.00 0.65 H new ATOM 0 HA ILE A 106 2.991 -18.714 -3.177 1.00 0.72 H new ATOM 0 HB ILE A 106 3.605 -17.887 -5.296 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.818 -16.082 -3.198 1.00 0.76 H new ATOM 0 HG13 ILE A 106 5.454 -17.594 -3.816 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.352 -15.520 -5.978 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.792 -16.255 -5.539 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.609 -15.157 -4.403 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.645 -15.682 -4.781 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.760 -16.570 -6.045 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.114 -15.035 -5.417 1.00 0.76 H new ATOM 1651 N ASN A 107 3.052 -17.588 -0.995 1.00 0.80 N ATOM 1652 CA ASN A 107 3.274 -16.953 0.300 1.00 0.91 C ATOM 1653 C ASN A 107 4.659 -17.272 0.845 1.00 0.92 C ATOM 1654 O ASN A 107 5.140 -18.401 0.740 1.00 1.03 O ATOM 1655 CB ASN A 107 2.210 -17.400 1.304 1.00 1.00 C ATOM 1656 CG ASN A 107 0.828 -16.883 0.963 1.00 1.11 C ATOM 1657 OD1 ASN A 107 0.747 -16.031 -0.051 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -0.155 -17.237 1.614 1.00 1.12 N flip ATOM 0 H ASN A 107 3.043 -18.608 -0.965 1.00 0.80 H new ATOM 0 HA ASN A 107 3.202 -15.875 0.154 1.00 0.91 H new ATOM 0 HB2 ASN A 107 2.187 -18.489 1.341 1.00 1.00 H new ATOM 0 HB3 ASN A 107 2.487 -17.053 2.299 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -0.046 -17.895 2.386 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -1.079 -16.873 1.381 1.00 1.12 H new ATOM 1665 N THR A 108 5.290 -16.265 1.435 1.00 0.92 N ATOM 1666 CA THR A 108 6.617 -16.415 2.015 1.00 1.01 C ATOM 1667 C THR A 108 6.775 -15.506 3.234 1.00 1.15 C ATOM 1668 O THR A 108 6.998 -15.983 4.347 1.00 1.79 O ATOM 1669 CB THR A 108 7.696 -16.113 0.969 1.00 1.00 C ATOM 1670 OG1 THR A 108 8.974 -16.040 1.572 1.00 1.66 O ATOM 1671 CG2 THR A 108 7.464 -14.821 0.213 1.00 1.26 C ATOM 0 H THR A 108 4.899 -15.327 1.524 1.00 0.92 H new ATOM 0 HA THR A 108 6.737 -17.448 2.342 1.00 1.01 H new ATOM 0 HB THR A 108 7.642 -16.938 0.258 1.00 1.00 H new ATOM 0 HG1 THR A 108 9.648 -15.848 0.887 1.00 1.66 H new ATOM 0 HG21 THR A 108 8.267 -14.673 -0.510 1.00 1.26 H new ATOM 0 HG22 THR A 108 6.509 -14.872 -0.310 1.00 1.26 H new ATOM 0 HG23 THR A 108 7.449 -13.987 0.914 1.00 1.26 H new ATOM 1679 N GLU A 109 6.640 -14.199 3.009 1.00 0.95 N ATOM 1680 CA GLU A 109 6.749 -13.204 4.075 1.00 1.05 C ATOM 1681 C GLU A 109 6.714 -11.804 3.477 1.00 1.06 C ATOM 1682 O GLU A 109 5.948 -10.946 3.913 1.00 1.32 O ATOM 1683 CB GLU A 109 8.040 -13.401 4.882 1.00 1.20 C ATOM 1684 CG GLU A 109 8.098 -12.590 6.170 1.00 1.46 C ATOM 1685 CD GLU A 109 8.154 -11.094 5.931 1.00 2.13 C ATOM 1686 OE1 GLU A 109 9.107 -10.633 5.267 1.00 2.74 O ATOM 1687 OE2 GLU A 109 7.243 -10.382 6.405 1.00 2.57 O ATOM 0 H GLU A 109 6.453 -13.802 2.088 1.00 0.95 H new ATOM 0 HA GLU A 109 5.904 -13.330 4.752 1.00 1.05 H new ATOM 0 HB2 GLU A 109 8.146 -14.458 5.126 1.00 1.20 H new ATOM 0 HB3 GLU A 109 8.891 -13.131 4.257 1.00 1.20 H new ATOM 0 HG2 GLU A 109 7.223 -12.822 6.778 1.00 1.46 H new ATOM 0 HG3 GLU A 109 8.974 -12.893 6.744 1.00 1.46 H new ATOM 1694 N ARG A 110 7.538 -11.591 2.458 1.00 0.93 N ATOM 1695 CA ARG A 110 7.593 -10.305 1.775 1.00 0.97 C ATOM 1696 C ARG A 110 6.558 -10.274 0.661 1.00 0.79 C ATOM 1697 O ARG A 110 6.294 -9.225 0.071 1.00 0.87 O ATOM 1698 CB ARG A 110 8.989 -10.052 1.195 1.00 1.17 C ATOM 1699 CG ARG A 110 10.056 -9.772 2.243 1.00 1.05 C ATOM 1700 CD ARG A 110 11.442 -9.713 1.619 1.00 1.57 C ATOM 1701 NE ARG A 110 12.486 -9.479 2.614 1.00 2.14 N ATOM 1702 CZ ARG A 110 12.792 -10.334 3.586 1.00 2.68 C ATOM 1703 NH1 ARG A 110 12.146 -11.489 3.689 1.00 2.96 N ATOM 1704 NH2 ARG A 110 13.750 -10.039 4.454 1.00 3.52 N ATOM 0 H ARG A 110 8.178 -12.293 2.086 1.00 0.93 H new ATOM 0 HA ARG A 110 7.376 -9.519 2.499 1.00 0.97 H new ATOM 0 HB2 ARG A 110 9.290 -10.920 0.609 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.938 -9.206 0.509 1.00 1.17 H new ATOM 0 HG2 ARG A 110 9.839 -8.828 2.742 1.00 1.05 H new ATOM 0 HG3 ARG A 110 10.032 -10.549 3.007 1.00 1.05 H new ATOM 0 HD2 ARG A 110 11.643 -10.648 1.097 1.00 1.57 H new ATOM 0 HD3 ARG A 110 11.469 -8.919 0.873 1.00 1.57 H new ATOM 0 HE ARG A 110 13.012 -8.607 2.560 1.00 2.14 H new ATOM 0 HH11 ARG A 110 11.412 -11.724 3.021 1.00 2.96 H new ATOM 0 HH12 ARG A 110 12.384 -12.142 4.436 1.00 2.96 H new ATOM 0 HH21 ARG A 110 14.254 -9.155 4.377 1.00 3.52 H new ATOM 0 HH22 ARG A 110 13.983 -10.696 5.199 1.00 3.52 H new ATOM 1718 N LEU A 111 5.975 -11.437 0.377 1.00 0.72 N ATOM 1719 CA LEU A 111 4.968 -11.547 -0.666 1.00 0.75 C ATOM 1720 C LEU A 111 3.961 -12.657 -0.392 1.00 0.66 C ATOM 1721 O LEU A 111 4.262 -13.840 -0.547 1.00 0.70 O ATOM 1722 CB LEU A 111 5.614 -11.800 -2.028 1.00 0.95 C ATOM 1723 CG LEU A 111 4.627 -12.228 -3.119 1.00 0.69 C ATOM 1724 CD1 LEU A 111 3.555 -11.168 -3.304 1.00 0.95 C ATOM 1725 CD2 LEU A 111 5.346 -12.495 -4.428 1.00 1.36 C ATOM 0 H LEU A 111 6.185 -12.313 0.856 1.00 0.72 H new ATOM 0 HA LEU A 111 4.439 -10.594 -0.673 1.00 0.75 H new ATOM 0 HB2 LEU A 111 6.124 -10.892 -2.350 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.376 -12.572 -1.919 1.00 0.95 H new ATOM 0 HG LEU A 111 4.150 -13.156 -2.803 1.00 0.69 H new ATOM 0 HD11 LEU A 111 2.860 -11.485 -4.082 1.00 0.95 H new ATOM 0 HD12 LEU A 111 3.013 -11.031 -2.368 1.00 0.95 H new ATOM 0 HD13 LEU A 111 4.021 -10.226 -3.595 1.00 0.95 H new ATOM 0 HD21 LEU A 111 4.623 -12.797 -5.185 1.00 1.36 H new ATOM 0 HD22 LEU A 111 5.856 -11.589 -4.754 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.077 -13.291 -4.286 1.00 1.36 H new ATOM 1737 N THR A 112 2.752 -12.259 -0.022 1.00 0.71 N ATOM 1738 CA THR A 112 1.676 -13.200 0.228 1.00 0.67 C ATOM 1739 C THR A 112 0.441 -12.769 -0.564 1.00 0.66 C ATOM 1740 O THR A 112 -0.244 -11.824 -0.186 1.00 0.82 O ATOM 1741 CB THR A 112 1.374 -13.277 1.727 1.00 0.74 C ATOM 1742 OG1 THR A 112 0.237 -14.085 1.971 1.00 0.75 O ATOM 1743 CG2 THR A 112 1.131 -11.927 2.366 1.00 0.83 C ATOM 0 H THR A 112 2.493 -11.282 0.112 1.00 0.71 H new ATOM 0 HA THR A 112 1.974 -14.196 -0.099 1.00 0.67 H new ATOM 0 HB THR A 112 2.268 -13.711 2.175 1.00 0.74 H new ATOM 0 HG1 THR A 112 0.063 -14.122 2.935 1.00 0.75 H new ATOM 0 HG21 THR A 112 0.923 -12.059 3.428 1.00 0.83 H new ATOM 0 HG22 THR A 112 2.016 -11.302 2.244 1.00 0.83 H new ATOM 0 HG23 THR A 112 0.278 -11.446 1.887 1.00 0.83 H new ATOM 1751 N VAL A 113 0.179 -13.444 -1.687 1.00 0.60 N ATOM 1752 CA VAL A 113 -0.958 -13.093 -2.537 1.00 0.61 C ATOM 1753 C VAL A 113 -2.256 -13.072 -1.746 1.00 0.64 C ATOM 1754 O VAL A 113 -2.867 -12.014 -1.603 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.086 -14.023 -3.753 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.279 -13.619 -4.606 1.00 1.27 C ATOM 1757 CG2 VAL A 113 0.192 -13.999 -4.568 1.00 1.38 C ATOM 0 H VAL A 113 0.735 -14.230 -2.025 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.765 -12.088 -2.912 1.00 0.61 H new ATOM 0 HB VAL A 113 -1.249 -15.041 -3.401 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.356 -14.287 -5.464 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -3.190 -13.685 -4.012 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -2.147 -12.595 -4.955 1.00 1.27 H new ATOM 0 HG21 VAL A 113 0.088 -14.662 -5.427 1.00 1.38 H new ATOM 0 HG22 VAL A 113 0.383 -12.983 -4.915 1.00 1.38 H new ATOM 0 HG23 VAL A 113 1.024 -14.334 -3.949 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.698 -14.207 -1.177 1.00 0.61 N ATOM 1768 CA PRO A 114 -3.911 -14.227 -0.370 1.00 0.70 C ATOM 1769 C PRO A 114 -3.853 -13.105 0.647 1.00 0.76 C ATOM 1770 O PRO A 114 -4.872 -12.574 1.080 1.00 0.88 O ATOM 1771 CB PRO A 114 -3.877 -15.600 0.306 1.00 0.68 C ATOM 1772 CG PRO A 114 -2.500 -16.124 0.078 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.059 -15.526 -1.220 1.00 0.63 C ATOM 0 HA PRO A 114 -4.827 -14.081 -0.943 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.094 -15.518 1.371 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -4.626 -16.266 -0.122 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -1.831 -15.838 0.890 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -2.497 -17.213 0.030 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -0.974 -15.452 -1.288 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -2.393 -16.114 -2.075 1.00 0.63 H new ATOM 1781 N HIS A 115 -2.615 -12.742 0.958 1.00 0.82 N ATOM 1782 CA HIS A 115 -2.294 -11.653 1.873 1.00 0.95 C ATOM 1783 C HIS A 115 -3.197 -11.621 3.096 1.00 0.86 C ATOM 1784 O HIS A 115 -4.367 -11.248 3.015 1.00 0.88 O ATOM 1785 CB HIS A 115 -2.374 -10.319 1.129 1.00 1.14 C ATOM 1786 CG HIS A 115 -1.679 -9.207 1.852 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -0.308 -9.128 1.966 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -2.173 -8.136 2.518 1.00 2.95 C ATOM 1789 CE1 HIS A 115 0.013 -8.058 2.672 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -1.101 -7.438 3.018 1.00 3.97 N ATOM 0 H HIS A 115 -1.791 -13.204 0.575 1.00 0.82 H new ATOM 0 HA HIS A 115 -1.280 -11.824 2.235 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -1.933 -10.434 0.139 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -3.421 -10.052 0.983 1.00 1.14 H new ATOM 0 HD2 HIS A 115 -3.215 -7.879 2.634 1.00 2.95 H new ATOM 0 HE1 HIS A 115 1.015 -7.744 2.923 1.00 4.09 H new ATOM 0 HE2 HIS A 115 -1.156 -6.580 3.567 1.00 3.97 H new ATOM 1799 N TYR A 116 -2.634 -11.983 4.242 1.00 1.04 N ATOM 1800 CA TYR A 116 -3.392 -11.968 5.486 1.00 1.14 C ATOM 1801 C TYR A 116 -3.111 -10.684 6.257 1.00 1.04 C ATOM 1802 O TYR A 116 -2.090 -10.577 6.936 1.00 1.47 O ATOM 1803 CB TYR A 116 -3.035 -13.183 6.351 1.00 1.62 C ATOM 1804 CG TYR A 116 -3.417 -14.516 5.740 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -3.034 -14.854 4.446 1.00 3.06 C ATOM 1806 CD2 TYR A 116 -4.161 -15.442 6.463 1.00 2.56 C ATOM 1807 CE1 TYR A 116 -3.382 -16.070 3.892 1.00 4.05 C ATOM 1808 CE2 TYR A 116 -4.512 -16.660 5.915 1.00 3.50 C ATOM 1809 CZ TYR A 116 -4.121 -16.969 4.630 1.00 4.18 C ATOM 1810 OH TYR A 116 -4.469 -18.182 4.081 1.00 5.29 O ATOM 0 H TYR A 116 -1.665 -12.288 4.336 1.00 1.04 H new ATOM 0 HA TYR A 116 -4.453 -12.013 5.241 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -1.962 -13.177 6.540 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -3.529 -13.084 7.317 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -2.454 -14.153 3.864 1.00 3.06 H new ATOM 0 HD2 TYR A 116 -4.470 -15.205 7.470 1.00 2.56 H new ATOM 0 HE1 TYR A 116 -3.077 -16.315 2.886 1.00 4.05 H new ATOM 0 HE2 TYR A 116 -5.090 -17.367 6.491 1.00 3.50 H new ATOM 0 HH TYR A 116 -4.988 -18.699 4.732 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.038 -9.725 6.142 1.00 0.77 N ATOM 1821 CA ASP A 117 -3.936 -8.424 6.815 1.00 0.80 C ATOM 1822 C ASP A 117 -4.773 -7.382 6.081 1.00 0.72 C ATOM 1823 O ASP A 117 -5.365 -6.498 6.702 1.00 0.82 O ATOM 1824 CB ASP A 117 -2.482 -7.942 6.889 1.00 1.03 C ATOM 1825 CG ASP A 117 -2.337 -6.621 7.625 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -2.892 -5.611 7.144 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -1.670 -6.597 8.681 1.00 2.22 O ATOM 0 H ASP A 117 -4.882 -9.830 5.578 1.00 0.77 H new ATOM 0 HA ASP A 117 -4.312 -8.551 7.830 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -1.878 -8.699 7.389 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -2.087 -7.835 5.879 1.00 1.03 H new ATOM 1832 N MET A 118 -4.810 -7.482 4.752 1.00 0.69 N ATOM 1833 CA MET A 118 -5.564 -6.533 3.936 1.00 0.72 C ATOM 1834 C MET A 118 -7.042 -6.589 4.278 1.00 0.71 C ATOM 1835 O MET A 118 -7.774 -5.625 4.063 1.00 0.73 O ATOM 1836 CB MET A 118 -5.350 -6.813 2.444 1.00 0.83 C ATOM 1837 CG MET A 118 -6.079 -8.042 1.922 1.00 1.15 C ATOM 1838 SD MET A 118 -5.273 -8.752 0.477 1.00 2.40 S ATOM 1839 CE MET A 118 -5.222 -7.336 -0.617 1.00 3.10 C ATOM 0 H MET A 118 -4.329 -8.207 4.221 1.00 0.69 H new ATOM 0 HA MET A 118 -5.197 -5.530 4.155 1.00 0.72 H new ATOM 0 HB2 MET A 118 -5.676 -5.943 1.874 1.00 0.83 H new ATOM 0 HB3 MET A 118 -4.283 -6.934 2.259 1.00 0.83 H new ATOM 0 HG2 MET A 118 -6.132 -8.792 2.711 1.00 1.15 H new ATOM 0 HG3 MET A 118 -7.104 -7.773 1.668 1.00 1.15 H new ATOM 0 HE1 MET A 118 -5.833 -7.534 -1.498 1.00 3.10 H new ATOM 0 HE2 MET A 118 -5.609 -6.460 -0.097 1.00 3.10 H new ATOM 0 HE3 MET A 118 -4.193 -7.150 -0.924 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.472 -7.715 4.836 1.00 0.80 N ATOM 1850 CA LYS A 119 -8.861 -7.886 5.233 1.00 0.95 C ATOM 1851 C LYS A 119 -9.180 -6.987 6.420 1.00 0.99 C ATOM 1852 O LYS A 119 -10.258 -7.072 7.008 1.00 1.24 O ATOM 1853 CB LYS A 119 -9.129 -9.347 5.601 1.00 1.15 C ATOM 1854 CG LYS A 119 -8.305 -9.841 6.780 1.00 1.30 C ATOM 1855 CD LYS A 119 -8.610 -11.295 7.108 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.059 -11.487 7.528 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.392 -10.697 8.745 1.00 2.67 N ATOM 0 H LYS A 119 -6.877 -8.522 5.023 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.501 -7.609 4.395 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -10.187 -9.466 5.833 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -8.921 -9.975 4.735 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -7.244 -9.734 6.553 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -8.509 -9.220 7.652 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -8.398 -11.916 6.238 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -7.952 -11.633 7.908 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -10.716 -11.190 6.711 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -10.245 -12.544 7.719 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -11.313 -11.005 9.117 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -9.659 -10.847 9.467 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -10.437 -9.687 8.502 1.00 2.67 H new ATOM 1871 N ASN A 120 -8.221 -6.137 6.776 1.00 0.90 N ATOM 1872 CA ASN A 120 -8.370 -5.229 7.901 1.00 1.04 C ATOM 1873 C ASN A 120 -7.995 -3.798 7.524 1.00 1.08 C ATOM 1874 O ASN A 120 -7.598 -3.011 8.385 1.00 1.35 O ATOM 1875 CB ASN A 120 -7.481 -5.698 9.051 1.00 1.08 C ATOM 1876 CG ASN A 120 -7.940 -7.016 9.642 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -9.061 -7.131 10.139 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -7.072 -8.019 9.591 1.00 1.84 N ATOM 0 H ASN A 120 -7.325 -6.061 6.294 1.00 0.90 H new ATOM 0 HA ASN A 120 -9.417 -5.235 8.203 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -6.456 -5.801 8.694 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -7.472 -4.937 9.832 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -7.323 -8.931 9.973 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -6.154 -7.878 9.170 1.00 1.84 H new ATOM 1885 N ARG A 121 -8.110 -3.459 6.243 1.00 0.93 N ATOM 1886 CA ARG A 121 -7.763 -2.115 5.796 1.00 1.06 C ATOM 1887 C ARG A 121 -8.599 -1.666 4.598 1.00 0.84 C ATOM 1888 O ARG A 121 -8.258 -1.936 3.447 1.00 0.87 O ATOM 1889 CB ARG A 121 -6.272 -2.038 5.464 1.00 1.31 C ATOM 1890 CG ARG A 121 -5.798 -3.112 4.500 1.00 1.14 C ATOM 1891 CD ARG A 121 -4.313 -2.976 4.202 1.00 1.39 C ATOM 1892 NE ARG A 121 -3.504 -3.018 5.418 1.00 1.56 N ATOM 1893 CZ ARG A 121 -2.177 -2.922 5.424 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -1.513 -2.790 4.284 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -1.512 -2.958 6.571 1.00 2.04 N ATOM 0 H ARG A 121 -8.436 -4.086 5.507 1.00 0.93 H new ATOM 0 HA ARG A 121 -7.987 -1.433 6.616 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -6.055 -1.059 5.036 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -5.700 -2.116 6.388 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -5.997 -4.096 4.924 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -6.364 -3.045 3.571 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -4.003 -3.778 3.532 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -4.133 -2.037 3.679 1.00 1.39 H new ATOM 0 HE ARG A 121 -3.983 -3.127 6.312 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -2.020 -2.762 3.399 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -0.496 -2.717 4.292 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -2.018 -3.059 7.451 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -0.495 -2.884 6.573 1.00 2.04 H new ATOM 1909 N GLY A 122 -9.684 -0.953 4.885 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.547 -0.440 3.835 1.00 0.60 C ATOM 1911 C GLY A 122 -9.874 0.651 3.042 1.00 0.57 C ATOM 1912 O GLY A 122 -10.300 0.980 1.936 1.00 0.59 O ATOM 0 H GLY A 122 -9.983 -0.720 5.832 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.830 -1.253 3.167 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.467 -0.055 4.276 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.813 1.211 3.609 1.00 0.65 N ATOM 1917 CA PHE A 123 -8.070 2.268 2.949 1.00 0.72 C ATOM 1918 C PHE A 123 -7.170 1.692 1.864 1.00 0.80 C ATOM 1919 O PHE A 123 -6.396 2.412 1.235 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.264 3.074 3.971 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.318 2.260 4.809 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.106 1.835 4.286 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -6.646 1.899 6.104 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -4.239 1.070 5.043 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -5.782 1.136 6.867 1.00 1.49 C ATOM 1926 CZ PHE A 123 -4.557 0.790 6.380 1.00 1.98 C ATOM 0 H PHE A 123 -8.450 0.948 4.525 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.777 2.946 2.470 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.694 3.838 3.443 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -7.958 3.594 4.632 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.837 2.105 3.276 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -7.589 2.217 6.524 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -3.325 0.691 4.609 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -6.079 0.813 7.854 1.00 1.49 H new ATOM 0 HZ PHE A 123 -3.836 0.303 7.020 1.00 1.98 H new ATOM 1936 N MET A 124 -7.305 0.389 1.633 1.00 0.62 N ATOM 1937 CA MET A 124 -6.534 -0.296 0.603 1.00 0.68 C ATOM 1938 C MET A 124 -7.427 -1.241 -0.192 1.00 0.64 C ATOM 1939 O MET A 124 -7.116 -1.581 -1.330 1.00 0.68 O ATOM 1940 CB MET A 124 -5.358 -1.069 1.198 1.00 0.80 C ATOM 1941 CG MET A 124 -4.270 -0.181 1.779 1.00 1.00 C ATOM 1942 SD MET A 124 -3.812 1.180 0.683 1.00 1.91 S ATOM 1943 CE MET A 124 -3.474 0.304 -0.842 1.00 2.23 C ATOM 0 H MET A 124 -7.945 -0.215 2.149 1.00 0.62 H new ATOM 0 HA MET A 124 -6.133 0.466 -0.065 1.00 0.68 H new ATOM 0 HB2 MET A 124 -5.729 -1.731 1.980 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.923 -1.702 0.424 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.610 0.225 2.732 1.00 1.00 H new ATOM 0 HG3 MET A 124 -3.387 -0.786 1.987 1.00 1.00 H new ATOM 0 HE1 MET A 124 -2.589 0.728 -1.317 1.00 2.23 H new ATOM 0 HE2 MET A 124 -3.300 -0.750 -0.625 1.00 2.23 H new ATOM 0 HE3 MET A 124 -4.327 0.400 -1.514 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.542 -1.651 0.406 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.478 -2.538 -0.252 1.00 0.62 C ATOM 1955 C LEU A 125 -10.424 -1.725 -1.124 1.00 0.56 C ATOM 1956 O LEU A 125 -10.580 -1.988 -2.313 1.00 0.63 O ATOM 1957 CB LEU A 125 -10.255 -3.343 0.794 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.392 -4.197 1.731 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -10.265 -5.068 2.616 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -8.414 -5.055 0.940 1.00 1.16 C ATOM 0 H LEU A 125 -8.814 -1.378 1.350 1.00 0.61 H new ATOM 0 HA LEU A 125 -8.935 -3.237 -0.888 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.844 -2.652 1.397 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -10.959 -3.996 0.278 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.817 -3.523 2.366 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -9.634 -5.666 3.273 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -10.919 -4.436 3.217 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -10.870 -5.728 1.994 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -7.814 -5.651 1.628 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -8.967 -5.717 0.274 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -7.760 -4.412 0.351 1.00 1.16 H new ATOM 1972 N TRP A 126 -11.035 -0.725 -0.509 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.957 0.168 -1.191 1.00 0.48 C ATOM 1974 C TRP A 126 -11.265 0.871 -2.369 1.00 0.47 C ATOM 1975 O TRP A 126 -11.746 0.799 -3.499 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.511 1.167 -0.171 1.00 0.52 C ATOM 1977 CG TRP A 126 -13.468 2.186 -0.707 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -13.679 3.418 -0.175 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -14.345 2.077 -1.840 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -14.625 4.094 -0.904 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -15.048 3.295 -1.934 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -14.602 1.080 -2.789 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -15.989 3.539 -2.930 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -15.536 1.325 -3.778 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -16.219 2.545 -3.842 1.00 3.03 C ATOM 0 H TRP A 126 -10.905 -0.510 0.479 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.786 -0.400 -1.614 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -13.011 0.609 0.621 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.672 1.691 0.288 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -13.175 3.809 0.696 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -14.959 5.038 -0.711 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -14.079 0.136 -2.749 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -16.519 4.479 -2.981 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -15.742 0.562 -4.514 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -16.943 2.705 -4.628 1.00 3.03 H new ATOM 1996 N PRO A 127 -10.113 1.543 -2.145 1.00 0.50 N ATOM 1997 CA PRO A 127 -9.383 2.215 -3.231 1.00 0.54 C ATOM 1998 C PRO A 127 -8.982 1.232 -4.329 1.00 0.53 C ATOM 1999 O PRO A 127 -9.250 1.460 -5.508 1.00 0.56 O ATOM 2000 CB PRO A 127 -8.135 2.780 -2.542 1.00 0.61 C ATOM 2001 CG PRO A 127 -8.016 2.017 -1.269 1.00 0.61 C ATOM 2002 CD PRO A 127 -9.421 1.696 -0.854 1.00 0.55 C ATOM 0 HA PRO A 127 -9.988 2.979 -3.720 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -7.249 2.651 -3.163 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -8.239 3.848 -2.353 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.432 1.107 -1.411 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -7.507 2.606 -0.506 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.469 0.784 -0.258 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.858 2.493 -0.252 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.351 0.130 -3.925 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.923 -0.906 -4.863 1.00 0.56 C ATOM 2012 C LEU A 128 -9.141 -1.519 -5.545 1.00 0.54 C ATOM 2013 O LEU A 128 -9.036 -2.106 -6.621 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.129 -1.983 -4.114 1.00 0.63 C ATOM 2015 CG LEU A 128 -6.446 -3.041 -4.987 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -5.296 -2.433 -5.768 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -5.950 -4.196 -4.130 1.00 1.55 C ATOM 0 H LEU A 128 -8.124 -0.068 -2.950 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.282 -0.464 -5.626 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.366 -1.491 -3.511 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.803 -2.490 -3.424 1.00 0.63 H new ATOM 0 HG LEU A 128 -7.179 -3.422 -5.697 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -4.826 -3.202 -6.381 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -5.673 -1.637 -6.410 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -4.562 -2.022 -5.075 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -5.467 -4.939 -4.765 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -5.234 -3.824 -3.398 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -6.793 -4.654 -3.613 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.303 -1.355 -4.912 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.555 -1.864 -5.458 1.00 0.51 C ATOM 2031 C PHE A 129 -11.933 -1.039 -6.684 1.00 0.53 C ATOM 2032 O PHE A 129 -12.531 -1.544 -7.630 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.667 -1.802 -4.392 1.00 0.49 C ATOM 2034 CG PHE A 129 -14.010 -2.334 -4.836 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.781 -1.636 -5.757 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -14.502 -3.531 -4.336 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -16.011 -2.120 -6.164 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -15.731 -4.020 -4.741 1.00 0.71 C ATOM 2039 CZ PHE A 129 -16.482 -3.318 -5.656 1.00 0.75 C ATOM 0 H PHE A 129 -10.400 -0.872 -4.019 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.432 -2.906 -5.752 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.342 -2.365 -3.517 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.790 -0.766 -4.077 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.415 -0.703 -6.160 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -13.917 -4.089 -3.620 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -16.603 -1.564 -6.877 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -16.101 -4.952 -4.339 1.00 0.71 H new ATOM 0 HZ PHE A 129 -17.439 -3.702 -5.978 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.570 0.240 -6.658 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.863 1.143 -7.764 1.00 0.49 C ATOM 2051 C GLU A 130 -11.002 0.827 -8.983 1.00 0.53 C ATOM 2052 O GLU A 130 -11.502 0.771 -10.107 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.641 2.596 -7.336 1.00 0.54 C ATOM 2054 CG GLU A 130 -12.493 3.026 -6.150 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.982 2.983 -6.447 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -14.501 1.880 -6.721 1.00 2.04 O ATOM 2057 OE2 GLU A 130 -14.629 4.051 -6.407 1.00 2.40 O ATOM 0 H GLU A 130 -11.072 0.674 -5.881 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.908 1.002 -8.039 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -10.589 2.734 -7.085 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -11.855 3.250 -8.181 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -12.278 2.378 -5.300 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -12.215 4.038 -5.857 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.705 0.622 -8.758 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.785 0.314 -9.850 1.00 0.56 C ATOM 2066 C ILE A 131 -8.923 -1.140 -10.288 1.00 0.52 C ATOM 2067 O ILE A 131 -8.639 -1.482 -11.435 1.00 0.64 O ATOM 2068 CB ILE A 131 -7.320 0.596 -9.466 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.852 -0.347 -8.357 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -7.163 2.048 -9.039 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -5.393 -0.164 -8.000 1.00 1.41 C ATOM 0 H ILE A 131 -9.271 0.663 -7.836 1.00 0.48 H new ATOM 0 HA ILE A 131 -9.055 0.968 -10.679 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.694 0.417 -10.340 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.461 -0.183 -7.468 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -7.017 -1.378 -8.671 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -6.124 2.238 -8.769 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -7.450 2.702 -9.862 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.803 2.246 -8.179 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -5.122 -0.862 -7.207 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.777 -0.356 -8.878 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -5.228 0.857 -7.657 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.362 -1.995 -9.364 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.540 -3.413 -9.654 1.00 0.58 C ATOM 2085 C ALA A 132 -10.600 -4.033 -8.745 1.00 0.56 C ATOM 2086 O ALA A 132 -10.273 -4.668 -7.741 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.219 -4.152 -9.508 1.00 0.73 C ATOM 0 H ALA A 132 -9.600 -1.728 -8.409 1.00 0.53 H new ATOM 0 HA ALA A 132 -9.884 -3.506 -10.684 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.367 -5.209 -9.727 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.490 -3.736 -10.204 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.851 -4.041 -8.488 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.891 -3.859 -9.085 1.00 0.63 N ATOM 2094 CA PRO A 133 -13.001 -4.405 -8.297 1.00 0.66 C ATOM 2095 C PRO A 133 -13.239 -5.882 -8.586 1.00 0.88 C ATOM 2096 O PRO A 133 -14.378 -6.305 -8.788 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.193 -3.578 -8.772 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.871 -3.239 -10.188 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.371 -3.113 -10.267 1.00 0.81 C ATOM 0 HA PRO A 133 -12.815 -4.348 -7.225 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -15.122 -4.143 -8.701 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.319 -2.680 -8.168 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.231 -4.014 -10.864 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.355 -2.308 -10.484 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -11.982 -3.537 -11.193 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.055 -2.070 -10.237 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.164 -6.662 -8.614 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.270 -8.092 -8.887 1.00 1.12 C ATOM 2109 C GLU A 134 -11.202 -8.879 -8.138 1.00 1.08 C ATOM 2110 O GLU A 134 -11.298 -10.101 -8.015 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.142 -8.362 -10.389 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.215 -7.690 -11.232 1.00 1.87 C ATOM 2113 CD GLU A 134 -13.053 -7.971 -12.714 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -13.096 -9.158 -13.101 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -12.880 -7.005 -13.486 1.00 2.61 O ATOM 0 H GLU A 134 -11.213 -6.331 -8.452 1.00 0.90 H new ATOM 0 HA GLU A 134 -13.250 -8.420 -8.541 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.163 -8.022 -10.727 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.182 -9.438 -10.559 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -14.197 -8.034 -10.906 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.182 -6.613 -11.064 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.176 -8.185 -7.650 1.00 0.99 N ATOM 2123 CA LEU A 135 -9.094 -8.852 -6.933 1.00 1.03 C ATOM 2124 C LEU A 135 -8.882 -8.305 -5.536 1.00 1.50 C ATOM 2125 O LEU A 135 -9.434 -7.274 -5.157 1.00 2.32 O ATOM 2126 CB LEU A 135 -7.779 -8.742 -7.698 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.719 -9.505 -9.016 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -8.308 -10.901 -8.866 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -8.421 -8.723 -10.117 1.00 2.26 C ATOM 0 H LEU A 135 -10.072 -7.174 -7.737 1.00 0.99 H new ATOM 0 HA LEU A 135 -9.399 -9.895 -6.850 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -7.583 -7.689 -7.899 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -6.974 -9.099 -7.055 1.00 1.00 H new ATOM 0 HG LEU A 135 -6.673 -9.620 -9.299 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -8.253 -11.424 -9.821 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -7.744 -11.455 -8.116 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -9.350 -10.825 -8.554 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -8.368 -9.283 -11.051 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -9.465 -8.569 -9.845 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -7.933 -7.757 -10.245 1.00 2.26 H new ATOM 2141 N VAL A 136 -8.051 -9.030 -4.794 1.00 1.65 N ATOM 2142 CA VAL A 136 -7.684 -8.705 -3.423 1.00 2.11 C ATOM 2143 C VAL A 136 -7.155 -9.948 -2.751 1.00 1.98 C ATOM 2144 O VAL A 136 -6.186 -9.909 -1.996 1.00 2.82 O ATOM 2145 CB VAL A 136 -8.875 -8.223 -2.592 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -9.903 -9.332 -2.458 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -8.411 -7.763 -1.224 1.00 3.66 C ATOM 0 H VAL A 136 -7.604 -9.880 -5.139 1.00 1.65 H new ATOM 0 HA VAL A 136 -6.943 -7.907 -3.474 1.00 2.11 H new ATOM 0 HB VAL A 136 -9.339 -7.378 -3.101 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -10.746 -8.977 -1.865 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -10.254 -9.625 -3.448 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -9.449 -10.192 -1.965 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -9.269 -7.423 -0.644 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -7.928 -8.592 -0.706 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -7.702 -6.943 -1.337 1.00 3.66 H new ATOM 2157 N PHE A 137 -7.821 -11.053 -3.040 1.00 1.34 N ATOM 2158 CA PHE A 137 -7.457 -12.327 -2.481 1.00 1.66 C ATOM 2159 C PHE A 137 -6.548 -13.039 -3.461 1.00 1.18 C ATOM 2160 O PHE A 137 -6.195 -12.469 -4.494 1.00 1.57 O ATOM 2161 CB PHE A 137 -8.730 -13.134 -2.214 1.00 2.23 C ATOM 2162 CG PHE A 137 -8.971 -13.427 -0.754 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -8.765 -12.451 0.211 1.00 3.88 C ATOM 2164 CD2 PHE A 137 -9.411 -14.679 -0.348 1.00 3.49 C ATOM 2165 CE1 PHE A 137 -8.992 -12.718 1.548 1.00 4.85 C ATOM 2166 CE2 PHE A 137 -9.638 -14.951 0.987 1.00 4.44 C ATOM 2167 CZ PHE A 137 -9.429 -13.969 1.936 1.00 5.09 C ATOM 0 H PHE A 137 -8.625 -11.084 -3.667 1.00 1.34 H new ATOM 0 HA PHE A 137 -6.926 -12.205 -1.537 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -9.585 -12.587 -2.611 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.673 -14.076 -2.759 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -8.423 -11.471 -0.086 1.00 3.88 H new ATOM 0 HD2 PHE A 137 -9.578 -15.450 -1.085 1.00 3.49 H new ATOM 0 HE1 PHE A 137 -8.828 -11.949 2.288 1.00 4.85 H new ATOM 0 HE2 PHE A 137 -9.979 -15.930 1.289 1.00 4.44 H new ATOM 0 HZ PHE A 137 -9.607 -14.180 2.980 1.00 5.09 H new ATOM 2177 N PRO A 138 -6.174 -14.299 -3.208 1.00 0.88 N ATOM 2178 CA PRO A 138 -5.344 -15.032 -4.133 1.00 0.92 C ATOM 2179 C PRO A 138 -6.234 -15.642 -5.196 1.00 1.20 C ATOM 2180 O PRO A 138 -5.916 -16.670 -5.794 1.00 1.94 O ATOM 2181 CB PRO A 138 -4.705 -16.055 -3.209 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.822 -16.432 -2.307 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.558 -15.142 -2.050 1.00 1.44 C ATOM 0 HA PRO A 138 -4.597 -14.460 -4.684 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -4.324 -16.914 -3.760 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -3.866 -15.632 -2.657 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -6.473 -17.173 -2.771 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -5.452 -16.868 -1.379 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.636 -15.296 -2.003 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.259 -14.689 -1.105 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.373 -14.952 -5.383 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.421 -15.310 -6.341 1.00 1.62 C ATOM 2193 C ASP A 139 -9.573 -15.991 -5.626 1.00 1.65 C ATOM 2194 O ASP A 139 -10.000 -17.082 -6.006 1.00 2.28 O ATOM 2195 CB ASP A 139 -7.897 -16.197 -7.473 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.878 -16.326 -8.627 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -9.987 -16.855 -8.405 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -8.541 -15.903 -9.751 1.00 3.67 O ATOM 0 H ASP A 139 -7.591 -14.107 -4.855 1.00 1.07 H new ATOM 0 HA ASP A 139 -8.774 -14.385 -6.797 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -6.959 -15.786 -7.845 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -7.676 -17.189 -7.078 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.077 -15.347 -4.579 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.171 -15.923 -3.848 1.00 1.72 C ATOM 2205 C GLY A 140 -11.885 -14.925 -3.027 1.00 1.31 C ATOM 2206 O GLY A 140 -12.488 -15.267 -2.007 1.00 1.85 O ATOM 0 H GLY A 140 -9.746 -14.446 -4.232 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.870 -16.382 -4.547 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -10.796 -16.718 -3.204 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.837 -13.688 -3.472 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.509 -12.648 -2.752 1.00 0.94 C ATOM 2212 C GLU A 141 -12.287 -11.285 -3.365 1.00 0.82 C ATOM 2213 O GLU A 141 -11.427 -11.088 -4.223 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.007 -12.627 -1.318 1.00 1.56 C ATOM 2215 CG GLU A 141 -12.985 -12.041 -0.336 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.249 -12.869 -0.190 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -14.977 -13.019 -1.193 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -14.512 -13.366 0.925 1.00 2.47 O ATOM 0 H GLU A 141 -11.347 -13.389 -4.315 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.577 -12.862 -2.792 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.767 -13.646 -1.013 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -11.080 -12.055 -1.277 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -12.503 -11.950 0.637 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.252 -11.034 -0.655 1.00 1.38 H new ATOM 2225 N MET A 142 -13.058 -10.348 -2.859 1.00 0.57 N ATOM 2226 CA MET A 142 -12.971 -8.959 -3.262 1.00 0.54 C ATOM 2227 C MET A 142 -12.719 -8.091 -2.046 1.00 0.58 C ATOM 2228 O MET A 142 -13.371 -8.227 -1.013 1.00 0.92 O ATOM 2229 CB MET A 142 -14.202 -8.506 -4.017 1.00 0.57 C ATOM 2230 CG MET A 142 -13.879 -8.122 -5.442 1.00 0.67 C ATOM 2231 SD MET A 142 -15.318 -7.523 -6.346 1.00 1.32 S ATOM 2232 CE MET A 142 -16.399 -8.950 -6.247 1.00 1.58 C ATOM 0 H MET A 142 -13.769 -10.529 -2.150 1.00 0.57 H new ATOM 0 HA MET A 142 -12.133 -8.857 -3.952 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.943 -9.305 -4.015 1.00 0.57 H new ATOM 0 HB3 MET A 142 -14.650 -7.655 -3.504 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.109 -7.350 -5.440 1.00 0.67 H new ATOM 0 HG3 MET A 142 -13.463 -8.986 -5.961 1.00 0.67 H new ATOM 0 HE1 MET A 142 -17.166 -8.880 -7.018 1.00 1.58 H new ATOM 0 HE2 MET A 142 -15.816 -9.859 -6.396 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.873 -8.980 -5.266 1.00 1.58 H new ATOM 2242 N LEU A 143 -11.716 -7.247 -2.178 1.00 0.55 N ATOM 2243 CA LEU A 143 -11.263 -6.365 -1.113 1.00 0.62 C ATOM 2244 C LEU A 143 -12.396 -5.778 -0.301 1.00 0.56 C ATOM 2245 O LEU A 143 -12.596 -6.141 0.856 1.00 0.60 O ATOM 2246 CB LEU A 143 -10.439 -5.230 -1.721 1.00 0.76 C ATOM 2247 CG LEU A 143 -10.357 -5.229 -3.243 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -11.708 -4.943 -3.868 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.328 -4.234 -3.724 1.00 1.70 C ATOM 0 H LEU A 143 -11.182 -7.150 -3.041 1.00 0.55 H new ATOM 0 HA LEU A 143 -10.663 -6.968 -0.431 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -10.863 -4.280 -1.396 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.427 -5.282 -1.319 1.00 0.76 H new ATOM 0 HG LEU A 143 -10.047 -6.225 -3.558 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -11.615 -4.949 -4.954 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -12.421 -5.708 -3.560 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -12.061 -3.965 -3.540 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -9.287 -4.251 -4.813 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -9.603 -3.235 -3.387 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -8.351 -4.497 -3.320 1.00 1.70 H new ATOM 2261 N ARG A 144 -13.103 -4.849 -0.899 1.00 0.53 N ATOM 2262 CA ARG A 144 -14.191 -4.170 -0.233 1.00 0.52 C ATOM 2263 C ARG A 144 -15.201 -5.129 0.417 1.00 0.61 C ATOM 2264 O ARG A 144 -15.935 -4.723 1.305 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.866 -3.174 -1.151 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.924 -2.347 -0.437 1.00 0.58 C ATOM 2267 CD ARG A 144 -16.624 -1.375 -1.373 1.00 0.85 C ATOM 2268 NE ARG A 144 -17.419 -2.062 -2.387 1.00 1.18 N ATOM 2269 CZ ARG A 144 -18.207 -1.435 -3.256 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -18.305 -0.113 -3.237 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.904 -2.132 -4.145 1.00 2.16 N ATOM 0 H ARG A 144 -12.942 -4.542 -1.858 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.744 -3.613 0.590 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -14.114 -2.508 -1.575 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -15.326 -3.706 -1.983 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -16.662 -3.013 0.010 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -15.460 -1.792 0.378 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -17.269 -0.716 -0.793 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.881 -0.745 -1.862 1.00 0.85 H new ATOM 0 HE ARG A 144 -17.367 -3.080 -2.431 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.775 0.428 -2.554 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.911 0.363 -3.906 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.836 -3.150 -4.162 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -19.508 -1.650 -4.811 1.00 2.16 H new ATOM 2285 N GLN A 145 -15.239 -6.397 0.010 1.00 0.76 N ATOM 2286 CA GLN A 145 -16.164 -7.345 0.646 1.00 0.92 C ATOM 2287 C GLN A 145 -15.565 -7.765 1.973 1.00 0.89 C ATOM 2288 O GLN A 145 -16.247 -7.852 2.990 1.00 0.97 O ATOM 2289 CB GLN A 145 -16.396 -8.586 -0.210 1.00 1.21 C ATOM 2290 CG GLN A 145 -16.254 -8.314 -1.680 1.00 0.96 C ATOM 2291 CD GLN A 145 -17.103 -7.158 -2.139 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -16.453 -6.033 -2.384 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -18.326 -7.263 -2.241 1.00 1.87 N flip ATOM 0 H GLN A 145 -14.661 -6.787 -0.734 1.00 0.76 H new ATOM 0 HA GLN A 145 -17.128 -6.853 0.777 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -15.687 -9.361 0.082 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -17.394 -8.977 -0.012 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -15.209 -8.105 -1.908 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -16.530 -9.208 -2.240 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -18.780 -8.154 -2.040 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.885 -6.459 -2.526 1.00 1.87 H new ATOM 2302 N ILE A 146 -14.260 -7.975 1.942 1.00 0.85 N ATOM 2303 CA ILE A 146 -13.499 -8.337 3.125 1.00 0.90 C ATOM 2304 C ILE A 146 -13.324 -7.079 3.948 1.00 0.85 C ATOM 2305 O ILE A 146 -12.929 -7.097 5.107 1.00 1.01 O ATOM 2306 CB ILE A 146 -12.099 -8.878 2.762 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -12.061 -9.394 1.324 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -11.700 -9.983 3.724 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -10.659 -9.521 0.765 1.00 1.06 C ATOM 0 H ILE A 146 -13.698 -7.899 1.094 1.00 0.85 H new ATOM 0 HA ILE A 146 -14.032 -9.118 3.666 1.00 0.90 H new ATOM 0 HB ILE A 146 -11.388 -8.056 2.845 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -12.550 -10.367 1.283 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.637 -8.721 0.689 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -10.711 -10.357 3.459 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -11.679 -9.590 4.741 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -12.423 -10.796 3.664 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.708 -9.892 -0.259 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.174 -8.545 0.774 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -10.085 -10.217 1.377 1.00 1.06 H new ATOM 2321 N LEU A 147 -13.590 -5.981 3.274 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.460 -4.648 3.821 1.00 0.75 C ATOM 2323 C LEU A 147 -14.715 -4.207 4.558 1.00 0.71 C ATOM 2324 O LEU A 147 -14.710 -3.931 5.754 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.277 -3.752 2.620 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.785 -2.344 2.834 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -13.067 -1.540 1.587 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -13.414 -1.683 4.054 1.00 1.66 C ATOM 0 H LEU A 147 -13.911 -5.991 2.306 1.00 0.72 H new ATOM 0 HA LEU A 147 -12.637 -4.609 4.535 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -12.580 -4.246 1.943 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -14.235 -3.692 2.104 1.00 0.92 H new ATOM 0 HG LEU A 147 -11.713 -2.381 3.027 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -12.716 -0.517 1.726 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -12.549 -1.989 0.740 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -14.140 -1.533 1.394 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.024 -0.671 4.161 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -14.496 -1.644 3.929 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -13.172 -2.261 4.946 1.00 1.66 H new ATOM 2340 N HIS A 148 -15.774 -4.108 3.788 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.064 -3.666 4.268 1.00 0.76 C ATOM 2342 C HIS A 148 -17.575 -4.583 5.359 1.00 0.83 C ATOM 2343 O HIS A 148 -18.448 -4.217 6.144 1.00 0.92 O ATOM 2344 CB HIS A 148 -18.044 -3.650 3.100 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.299 -2.879 3.376 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -20.336 -2.773 2.473 1.00 1.04 N ATOM 2347 CD2 HIS A 148 -19.677 -2.168 4.465 1.00 1.02 C ATOM 2348 CE1 HIS A 148 -21.297 -2.030 2.995 1.00 1.20 C ATOM 2349 NE2 HIS A 148 -20.923 -1.653 4.203 1.00 1.19 N ATOM 0 H HIS A 148 -15.764 -4.336 2.794 1.00 0.71 H new ATOM 0 HA HIS A 148 -16.966 -2.665 4.688 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.549 -3.222 2.228 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.308 -4.676 2.845 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.105 -2.031 5.371 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -22.230 -1.775 2.514 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -21.470 -1.073 4.839 1.00 1.19 H new ATOM 2358 N THR A 149 -17.039 -5.787 5.384 1.00 0.86 N ATOM 2359 CA THR A 149 -17.464 -6.767 6.363 1.00 0.97 C ATOM 2360 C THR A 149 -16.367 -7.091 7.376 1.00 1.00 C ATOM 2361 O THR A 149 -16.663 -7.371 8.538 1.00 1.13 O ATOM 2362 CB THR A 149 -17.909 -8.046 5.650 1.00 1.02 C ATOM 2363 OG1 THR A 149 -16.788 -8.815 5.256 1.00 1.35 O ATOM 2364 CG2 THR A 149 -18.738 -7.779 4.405 1.00 1.48 C ATOM 0 H THR A 149 -16.314 -6.109 4.743 1.00 0.86 H new ATOM 0 HA THR A 149 -18.298 -6.337 6.917 1.00 0.97 H new ATOM 0 HB THR A 149 -18.524 -8.582 6.373 1.00 1.02 H new ATOM 0 HG1 THR A 149 -16.594 -8.650 4.310 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.021 -8.726 3.947 1.00 1.48 H new ATOM 0 HG22 THR A 149 -19.636 -7.225 4.678 1.00 1.48 H new ATOM 0 HG23 THR A 149 -18.152 -7.194 3.696 1.00 1.48 H new ATOM 2372 N ARG A 150 -15.105 -7.088 6.943 1.00 0.91 N ATOM 2373 CA ARG A 150 -14.013 -7.428 7.859 1.00 0.97 C ATOM 2374 C ARG A 150 -13.011 -6.297 8.110 1.00 0.97 C ATOM 2375 O ARG A 150 -12.017 -6.514 8.804 1.00 1.16 O ATOM 2376 CB ARG A 150 -13.277 -8.672 7.358 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.090 -9.950 7.481 1.00 1.12 C ATOM 2378 CD ARG A 150 -14.385 -10.283 8.935 1.00 1.43 C ATOM 2379 NE ARG A 150 -15.176 -11.503 9.071 1.00 1.84 N ATOM 2380 CZ ARG A 150 -16.427 -11.628 8.633 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -17.036 -10.606 8.045 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -17.071 -12.777 8.787 1.00 2.86 N ATOM 0 H ARG A 150 -14.817 -6.861 5.991 1.00 0.91 H new ATOM 0 HA ARG A 150 -14.489 -7.620 8.821 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.002 -8.525 6.314 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -12.349 -8.786 7.919 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -15.027 -9.841 6.934 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -13.546 -10.775 7.021 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -13.447 -10.398 9.477 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -14.920 -9.452 9.395 1.00 1.43 H new ATOM 0 HE ARG A 150 -14.745 -12.306 9.528 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -16.546 -9.719 7.927 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -17.995 -10.707 7.711 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -16.608 -13.564 9.241 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -18.029 -12.873 8.452 1.00 2.86 H new ATOM 2396 N ALA A 151 -13.241 -5.099 7.575 1.00 0.88 N ATOM 2397 CA ALA A 151 -12.310 -4.008 7.799 1.00 0.91 C ATOM 2398 C ALA A 151 -13.044 -2.800 8.341 1.00 0.92 C ATOM 2399 O ALA A 151 -13.188 -2.642 9.553 1.00 1.18 O ATOM 2400 CB ALA A 151 -11.570 -3.663 6.513 1.00 0.89 C ATOM 0 H ALA A 151 -14.048 -4.867 6.996 1.00 0.88 H new ATOM 0 HA ALA A 151 -11.572 -4.322 8.537 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -10.877 -2.843 6.701 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -11.015 -4.535 6.167 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -12.288 -3.363 5.749 1.00 0.89 H new ATOM 2406 N PHE A 152 -13.516 -1.954 7.440 1.00 0.79 N ATOM 2407 CA PHE A 152 -14.242 -0.771 7.838 1.00 0.99 C ATOM 2408 C PHE A 152 -15.564 -0.676 7.095 1.00 0.88 C ATOM 2409 O PHE A 152 -15.867 -1.497 6.228 1.00 1.32 O ATOM 2410 CB PHE A 152 -13.416 0.475 7.561 1.00 1.26 C ATOM 2411 CG PHE A 152 -12.224 0.653 8.461 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -11.181 -0.260 8.430 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -12.144 1.723 9.338 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -10.082 -0.108 9.254 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -11.049 1.880 10.166 1.00 3.27 C ATOM 2416 CZ PHE A 152 -10.025 0.996 10.127 1.00 3.92 C ATOM 0 H PHE A 152 -13.407 -2.068 6.432 1.00 0.79 H new ATOM 0 HA PHE A 152 -14.441 -0.842 8.907 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -13.072 0.444 6.527 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.060 1.349 7.656 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -11.228 -1.100 7.753 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -12.948 2.443 9.375 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -9.277 -0.827 9.229 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -11.010 2.715 10.850 1.00 3.27 H new ATOM 0 HZ PHE A 152 -9.165 1.137 10.765 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.335 0.350 7.422 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.613 0.578 6.771 1.00 1.10 C ATOM 2428 C ASP A 153 -17.413 1.524 5.595 1.00 1.14 C ATOM 2429 O ASP A 153 -18.276 2.343 5.278 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.628 1.159 7.762 1.00 1.43 C ATOM 2431 CG ASP A 153 -18.144 2.443 8.409 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -17.910 3.426 7.676 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -17.996 2.465 9.650 1.00 2.80 O ATOM 0 H ASP A 153 -16.096 1.038 8.136 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.006 -0.372 6.408 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.568 1.350 7.244 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -18.836 0.422 8.538 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.243 1.398 4.970 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.861 2.226 3.832 1.00 0.78 C ATOM 2440 C LYS A 154 -15.551 3.651 4.266 1.00 0.91 C ATOM 2441 O LYS A 154 -16.369 4.311 4.907 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.951 2.249 2.757 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.602 3.149 1.579 1.00 0.86 C ATOM 2444 CD LYS A 154 -17.687 4.180 1.297 1.00 1.03 C ATOM 2445 CE LYS A 154 -18.012 5.016 2.526 1.00 1.54 C ATOM 2446 NZ LYS A 154 -19.072 6.023 2.248 1.00 2.17 N ATOM 0 H LYS A 154 -15.534 0.717 5.241 1.00 0.75 H new ATOM 0 HA LYS A 154 -14.962 1.778 3.408 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.119 1.235 2.395 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -17.886 2.588 3.202 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.661 3.661 1.782 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -16.446 2.537 0.691 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -17.363 4.835 0.488 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -18.589 3.673 0.955 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -18.336 4.361 3.335 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -17.110 5.523 2.869 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -19.264 6.572 3.110 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -18.753 6.664 1.494 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -19.941 5.538 1.945 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.373 4.127 3.884 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.962 5.485 4.197 1.00 0.61 C ATOM 2462 C LEU A 155 -14.189 6.380 2.981 1.00 0.68 C ATOM 2463 O LEU A 155 -14.745 5.932 1.978 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.495 5.528 4.653 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.596 4.381 4.165 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -11.597 4.297 2.644 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -10.182 4.574 4.680 1.00 1.23 C ATOM 0 H LEU A 155 -13.686 3.590 3.356 1.00 0.61 H new ATOM 0 HA LEU A 155 -14.567 5.856 5.024 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -12.060 6.470 4.318 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -12.476 5.538 5.743 1.00 0.60 H new ATOM 0 HG LEU A 155 -11.993 3.444 4.556 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -10.953 3.477 2.324 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -12.613 4.120 2.290 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -11.226 5.233 2.228 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -9.552 3.756 4.329 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -9.787 5.521 4.311 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -10.190 4.584 5.770 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.773 7.638 3.064 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.958 8.562 1.954 1.00 0.77 C ATOM 2481 C ASN A 156 -12.616 9.032 1.424 1.00 0.65 C ATOM 2482 O ASN A 156 -11.609 8.981 2.131 1.00 0.69 O ATOM 2483 CB ASN A 156 -14.799 9.763 2.387 1.00 1.04 C ATOM 2484 CG ASN A 156 -14.159 10.540 3.520 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -13.048 11.056 3.389 1.00 2.44 O ATOM 2486 ND2 ASN A 156 -14.858 10.628 4.645 1.00 2.12 N ATOM 0 H ASN A 156 -13.310 8.038 3.880 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.485 8.036 1.158 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -14.947 10.426 1.534 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -15.785 9.419 2.698 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -14.478 11.138 5.443 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -15.775 10.186 4.712 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.606 9.490 0.180 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.377 9.969 -0.428 1.00 0.64 C ATOM 2495 C LYS A 157 -10.824 11.121 0.387 1.00 0.68 C ATOM 2496 O LYS A 157 -11.579 11.913 0.949 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.596 10.408 -1.878 1.00 0.79 C ATOM 2498 CG LYS A 157 -12.236 9.342 -2.760 1.00 0.96 C ATOM 2499 CD LYS A 157 -13.743 9.271 -2.559 1.00 1.67 C ATOM 2500 CE LYS A 157 -14.369 8.161 -3.388 1.00 1.70 C ATOM 2501 NZ LYS A 157 -15.851 8.136 -3.250 1.00 2.51 N ATOM 0 H LYS A 157 -13.428 9.539 -0.422 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.661 9.147 -0.438 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.226 11.297 -1.886 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -10.636 10.693 -2.309 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -12.019 9.558 -3.806 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -11.793 8.371 -2.536 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -13.962 9.105 -1.504 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -14.192 10.226 -2.831 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -14.104 8.297 -4.437 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -13.959 7.200 -3.077 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -16.241 7.366 -3.830 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -16.104 7.981 -2.253 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -16.245 9.044 -3.570 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.506 11.195 0.462 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.840 12.238 1.225 1.00 0.83 C ATOM 2517 C TRP A 158 -9.448 13.610 0.937 1.00 1.08 C ATOM 2518 O TRP A 158 -9.681 14.367 1.902 1.00 1.47 O ATOM 2519 CB TRP A 158 -7.348 12.245 0.894 1.00 0.85 C ATOM 2520 CG TRP A 158 -6.566 13.282 1.643 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.666 13.587 2.970 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -5.562 14.151 1.106 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.786 14.593 3.290 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.098 14.957 2.163 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -5.011 14.328 -0.167 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -4.109 15.920 1.986 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -4.029 15.286 -0.341 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -3.587 16.071 0.730 1.00 2.95 C ATOM 2529 OXT TRP A 158 -9.682 13.914 -0.251 1.00 1.75 O ATOM 0 H TRP A 158 -8.873 10.542 0.001 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.977 12.027 2.286 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -6.932 11.262 1.113 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -7.224 12.412 -0.176 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -7.338 13.108 3.666 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -5.665 15.002 4.216 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -5.346 13.727 -0.999 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -3.766 16.527 2.811 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -3.596 15.431 -1.320 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -2.818 16.811 0.562 1.00 2.95 H new