USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1272 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 119 LYS NZ :NH3+ -137:sc= -1.68 (180deg=0) USER MOD Set 1.2: A 120 ASN :FLIP amide:sc= -1.96 F(o=-6.4!,f=-3.6) USER MOD Set 2.1: A 99 MET CE :methyl 173:sc= -2.41 (180deg=-2.65!) USER MOD Set 2.2: A 115 HIS : no HE2:sc= -3.52 K(o=-5.9,f=-13!) USER MOD Set 3.1: A 42 THR OG1 : rot -66:sc= 0.461 USER MOD Set 3.2: A 55 ASN : amide:sc= -3 K(o=-2.5,f=-7.6!) USER MOD Set 4.1: A 40 TYR OH : rot 83:sc= 0.294 USER MOD Set 4.2: A 154 LYS NZ :NH3+ -112:sc= -0.0763 (180deg=-1.7!) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 86:sc= 0.126! USER MOD Single : A 9 SER OG : rot -100:sc= -0.404 USER MOD Single : A 10 ASN : amide:sc= -0.883 K(o=-0.88,f=-3!) USER MOD Single : A 13 SER OG : rot -60:sc= 0.279 USER MOD Single : A 17 GLN : amide:sc= -13.8! C(o=-14!,f=-18!) USER MOD Single : A 19 ASN : amide:sc= -7.49! C(o=-7.5!,f=-10!) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0503 (180deg=-0.294) USER MOD Single : A 31 SER OG : rot 180:sc= -2.42! USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 121:sc= -2.55! USER MOD Single : A 37 SER OG : rot 180:sc= 0.015 USER MOD Single : A 38 SER OG : rot -69:sc= 0.945 USER MOD Single : A 48 GLN :FLIP amide:sc= -3.51! C(o=-6!,f=-3.5!) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.57! C(o=-5.5!,f=-2.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.73! C(o=-4.7!,f=-1.7!) USER MOD Single : A 72 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.4!) USER MOD Single : A 73 THR OG1 : rot -18:sc= -5.93! USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.543 F(o=-2.8!,f=-0.54) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 81:sc= -3.09! USER MOD Single : A 103 ASN : amide:sc= -2.8 K(o=-2.8,f=-4.1!) USER MOD Single : A 107 ASN :FLIP amide:sc= -1.41 F(o=-8.3!,f=-1.4) USER MOD Single : A 108 THR OG1 : rot -76:sc= 0.049 USER MOD Single : A 112 THR OG1 : rot 170:sc= -0.0886 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -162:sc= -1.8 (180deg=-2.62) USER MOD Single : A 124 MET CE :methyl 145:sc= -13.8! (180deg=-15.9!) USER MOD Single : A 142 MET CE :methyl -177:sc= 0 (180deg=-0.0199) USER MOD Single : A 145 GLN :FLIP amide:sc= -0.988 F(o=-4.8!,f=-0.99) USER MOD Single : A 148 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.026) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.5) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.581 -9.492 -14.647 1.00 0.82 N ATOM 2 CA THR A 1 2.780 -9.923 -13.474 1.00 0.59 C ATOM 3 C THR A 1 2.091 -8.741 -12.806 1.00 0.52 C ATOM 4 O THR A 1 2.741 -7.920 -12.154 1.00 0.52 O ATOM 5 CB THR A 1 3.708 -10.616 -12.474 1.00 0.64 C ATOM 6 OG1 THR A 1 4.280 -11.780 -13.045 1.00 0.92 O ATOM 7 CG2 THR A 1 3.017 -11.024 -11.188 1.00 0.62 C ATOM 0 H1 THR A 1 4.037 -10.321 -15.079 1.00 0.82 H new ATOM 0 H2 THR A 1 2.958 -9.037 -15.344 1.00 0.82 H new ATOM 0 H3 THR A 1 4.310 -8.816 -14.340 1.00 0.82 H new ATOM 0 HA THR A 1 2.004 -10.610 -13.812 1.00 0.59 H new ATOM 0 HB THR A 1 4.472 -9.877 -12.233 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.871 -12.208 -12.391 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.735 -11.509 -10.527 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.611 -10.140 -10.697 1.00 0.62 H new ATOM 0 HG23 THR A 1 2.207 -11.717 -11.414 1.00 0.62 H new ATOM 17 N VAL A 2 0.771 -8.664 -12.953 1.00 0.54 N ATOM 18 CA VAL A 2 0.009 -7.586 -12.343 1.00 0.54 C ATOM 19 C VAL A 2 0.038 -7.723 -10.827 1.00 0.44 C ATOM 20 O VAL A 2 -0.649 -8.563 -10.248 1.00 0.45 O ATOM 21 CB VAL A 2 -1.452 -7.562 -12.839 1.00 0.65 C ATOM 22 CG1 VAL A 2 -2.133 -8.904 -12.617 1.00 1.49 C ATOM 23 CG2 VAL A 2 -2.227 -6.441 -12.162 1.00 1.42 C ATOM 0 H VAL A 2 0.213 -9.331 -13.486 1.00 0.54 H new ATOM 0 HA VAL A 2 0.475 -6.645 -12.637 1.00 0.54 H new ATOM 0 HB VAL A 2 -1.440 -7.372 -13.912 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -3.161 -8.854 -12.977 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.595 -9.680 -13.162 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -2.132 -9.141 -11.553 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -3.255 -6.439 -12.524 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -2.222 -6.596 -11.083 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -1.759 -5.484 -12.393 1.00 1.42 H new ATOM 33 N ALA A 3 0.854 -6.900 -10.187 1.00 0.43 N ATOM 34 CA ALA A 3 0.985 -6.943 -8.741 1.00 0.40 C ATOM 35 C ALA A 3 0.386 -5.706 -8.095 1.00 0.33 C ATOM 36 O ALA A 3 0.644 -4.582 -8.531 1.00 0.37 O ATOM 37 CB ALA A 3 2.447 -7.092 -8.351 1.00 0.48 C ATOM 0 H ALA A 3 1.433 -6.197 -10.645 1.00 0.43 H new ATOM 0 HA ALA A 3 0.432 -7.809 -8.377 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.532 -7.123 -7.265 1.00 0.48 H new ATOM 0 HB2 ALA A 3 2.844 -8.015 -8.773 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.014 -6.244 -8.735 1.00 0.48 H new ATOM 43 N TYR A 4 -0.402 -5.909 -7.044 1.00 0.38 N ATOM 44 CA TYR A 4 -1.009 -4.785 -6.345 1.00 0.48 C ATOM 45 C TYR A 4 -0.130 -4.320 -5.203 1.00 0.46 C ATOM 46 O TYR A 4 -0.002 -5.010 -4.190 1.00 0.72 O ATOM 47 CB TYR A 4 -2.390 -5.119 -5.790 1.00 0.79 C ATOM 48 CG TYR A 4 -2.898 -4.032 -4.867 1.00 2.03 C ATOM 49 CD1 TYR A 4 -3.092 -2.736 -5.325 1.00 2.70 C ATOM 50 CD2 TYR A 4 -3.220 -4.314 -3.546 1.00 3.01 C ATOM 51 CE1 TYR A 4 -3.586 -1.752 -4.490 1.00 3.83 C ATOM 52 CE2 TYR A 4 -3.721 -3.339 -2.708 1.00 4.21 C ATOM 53 CZ TYR A 4 -3.763 -2.013 -3.162 1.00 4.50 C ATOM 54 OH TYR A 4 -4.410 -1.088 -2.354 1.00 5.73 O ATOM 0 H TYR A 4 -0.632 -6.827 -6.663 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.116 -3.992 -7.085 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -3.091 -5.254 -6.614 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.347 -6.065 -5.250 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.853 -2.493 -6.350 1.00 2.70 H new ATOM 0 HD2 TYR A 4 -3.076 -5.315 -3.167 1.00 3.01 H new ATOM 0 HE1 TYR A 4 -3.832 -0.778 -4.887 1.00 3.83 H new ATOM 0 HE2 TYR A 4 -4.075 -3.593 -1.720 1.00 4.21 H new ATOM 0 HH TYR A 4 -5.378 -1.232 -2.402 1.00 5.73 H new ATOM 64 N ILE A 5 0.451 -3.138 -5.372 1.00 0.40 N ATOM 65 CA ILE A 5 1.309 -2.543 -4.362 1.00 0.45 C ATOM 66 C ILE A 5 0.528 -1.511 -3.560 1.00 0.44 C ATOM 67 O ILE A 5 0.268 -0.405 -4.034 1.00 0.57 O ATOM 68 CB ILE A 5 2.537 -1.870 -5.007 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.962 -2.672 -6.239 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.675 -1.778 -4.001 1.00 0.93 C ATOM 71 CD1 ILE A 5 4.097 -2.046 -7.018 1.00 0.79 C ATOM 0 H ILE A 5 0.339 -2.569 -6.211 1.00 0.40 H new ATOM 0 HA ILE A 5 1.655 -3.337 -3.701 1.00 0.45 H new ATOM 0 HB ILE A 5 2.279 -0.857 -5.316 1.00 0.55 H new ATOM 0 HG12 ILE A 5 3.259 -3.672 -5.924 1.00 0.52 H new ATOM 0 HG13 ILE A 5 2.102 -2.788 -6.899 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.536 -1.301 -4.469 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.355 -1.188 -3.142 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.950 -2.780 -3.670 1.00 0.93 H new ATOM 0 HD11 ILE A 5 4.340 -2.674 -7.875 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.798 -1.057 -7.365 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.973 -1.955 -6.375 1.00 0.79 H new ATOM 83 N ALA A 6 0.142 -1.885 -2.347 1.00 0.48 N ATOM 84 CA ALA A 6 -0.622 -0.994 -1.485 1.00 0.51 C ATOM 85 C ALA A 6 0.295 0.013 -0.806 1.00 0.46 C ATOM 86 O ALA A 6 1.030 -0.332 0.118 1.00 0.58 O ATOM 87 CB ALA A 6 -1.389 -1.802 -0.450 1.00 0.71 C ATOM 0 H ALA A 6 0.345 -2.797 -1.939 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.335 -0.443 -2.098 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -1.957 -1.127 0.190 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -2.072 -2.485 -0.955 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -0.688 -2.374 0.158 1.00 0.71 H new ATOM 93 N ILE A 7 0.258 1.257 -1.277 1.00 0.44 N ATOM 94 CA ILE A 7 1.102 2.300 -0.710 1.00 0.43 C ATOM 95 C ILE A 7 0.322 3.158 0.278 1.00 0.49 C ATOM 96 O ILE A 7 -0.813 3.553 0.013 1.00 0.58 O ATOM 97 CB ILE A 7 1.713 3.193 -1.811 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.716 4.179 -1.206 1.00 1.19 C ATOM 99 CG2 ILE A 7 0.621 3.938 -2.564 1.00 1.41 C ATOM 100 CD1 ILE A 7 3.459 4.997 -2.243 1.00 1.42 C ATOM 0 H ILE A 7 -0.342 1.564 -2.043 1.00 0.44 H new ATOM 0 HA ILE A 7 1.914 1.803 -0.180 1.00 0.43 H new ATOM 0 HB ILE A 7 2.241 2.553 -2.518 1.00 0.47 H new ATOM 0 HG12 ILE A 7 2.189 4.854 -0.532 1.00 1.19 H new ATOM 0 HG13 ILE A 7 3.438 3.627 -0.604 1.00 1.19 H new ATOM 0 HG21 ILE A 7 1.072 4.562 -3.336 1.00 1.41 H new ATOM 0 HG22 ILE A 7 -0.056 3.220 -3.027 1.00 1.41 H new ATOM 0 HG23 ILE A 7 0.064 4.566 -1.869 1.00 1.41 H new ATOM 0 HD11 ILE A 7 4.152 5.674 -1.744 1.00 1.42 H new ATOM 0 HD12 ILE A 7 4.014 4.330 -2.903 1.00 1.42 H new ATOM 0 HD13 ILE A 7 2.745 5.576 -2.829 1.00 1.42 H new ATOM 112 N GLY A 8 0.939 3.436 1.418 1.00 0.57 N ATOM 113 CA GLY A 8 0.291 4.239 2.437 1.00 0.69 C ATOM 114 C GLY A 8 1.282 4.888 3.380 1.00 0.68 C ATOM 115 O GLY A 8 1.982 4.202 4.126 1.00 0.77 O ATOM 0 H GLY A 8 1.879 3.119 1.656 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.310 5.012 1.958 1.00 0.69 H new ATOM 0 HA3 GLY A 8 -0.393 3.612 3.009 1.00 0.69 H new ATOM 119 N SER A 9 1.344 6.214 3.345 1.00 0.70 N ATOM 120 CA SER A 9 2.258 6.957 4.198 1.00 0.75 C ATOM 121 C SER A 9 1.562 7.498 5.445 1.00 0.87 C ATOM 122 O SER A 9 0.326 7.411 5.599 1.00 0.92 O ATOM 123 CB SER A 9 2.895 8.110 3.423 1.00 0.76 C ATOM 124 OG SER A 9 3.520 7.644 2.240 1.00 1.67 O ATOM 0 H SER A 9 0.771 6.795 2.734 1.00 0.70 H new ATOM 0 HA SER A 9 3.034 6.262 4.520 1.00 0.75 H new ATOM 0 HB2 SER A 9 2.133 8.847 3.170 1.00 0.76 H new ATOM 0 HB3 SER A 9 3.629 8.614 4.052 1.00 0.76 H new ATOM 0 HG SER A 9 4.486 7.567 2.389 1.00 1.67 H new ATOM 130 N ASN A 10 2.388 8.054 6.331 1.00 1.03 N ATOM 131 CA ASN A 10 1.930 8.622 7.588 1.00 1.23 C ATOM 132 C ASN A 10 2.641 9.945 7.870 1.00 1.30 C ATOM 133 O ASN A 10 3.409 10.432 7.042 1.00 2.00 O ATOM 134 CB ASN A 10 2.211 7.637 8.724 1.00 1.55 C ATOM 135 CG ASN A 10 1.513 6.306 8.522 1.00 2.18 C ATOM 136 OD1 ASN A 10 0.288 6.243 8.418 1.00 2.66 O ATOM 137 ND2 ASN A 10 2.292 5.231 8.467 1.00 3.02 N ATOM 0 H ASN A 10 3.396 8.121 6.192 1.00 1.03 H new ATOM 0 HA ASN A 10 0.859 8.810 7.519 1.00 1.23 H new ATOM 0 HB2 ASN A 10 3.286 7.472 8.801 1.00 1.55 H new ATOM 0 HB3 ASN A 10 1.887 8.074 9.669 1.00 1.55 H new ATOM 0 HD21 ASN A 10 1.879 4.308 8.334 1.00 3.02 H new ATOM 0 HD22 ASN A 10 3.303 5.329 8.558 1.00 3.02 H new ATOM 144 N LEU A 11 2.387 10.509 9.053 1.00 1.21 N ATOM 145 CA LEU A 11 3.011 11.770 9.469 1.00 1.31 C ATOM 146 C LEU A 11 2.484 12.944 8.653 1.00 1.49 C ATOM 147 O LEU A 11 2.443 12.886 7.427 1.00 1.96 O ATOM 148 CB LEU A 11 4.537 11.664 9.337 1.00 1.36 C ATOM 149 CG LEU A 11 5.359 12.797 9.968 1.00 1.66 C ATOM 150 CD1 LEU A 11 5.329 14.044 9.103 1.00 2.11 C ATOM 151 CD2 LEU A 11 4.857 13.114 11.371 1.00 2.45 C ATOM 0 H LEU A 11 1.751 10.111 9.744 1.00 1.21 H new ATOM 0 HA LEU A 11 2.754 11.952 10.513 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.854 10.722 9.785 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.785 11.612 8.277 1.00 1.36 H new ATOM 0 HG LEU A 11 6.392 12.456 10.038 1.00 1.66 H new ATOM 0 HD11 LEU A 11 5.920 14.829 9.576 1.00 2.11 H new ATOM 0 HD12 LEU A 11 5.746 13.817 8.122 1.00 2.11 H new ATOM 0 HD13 LEU A 11 4.299 14.383 8.989 1.00 2.11 H new ATOM 0 HD21 LEU A 11 5.454 13.920 11.798 1.00 2.45 H new ATOM 0 HD22 LEU A 11 3.813 13.423 11.323 1.00 2.45 H new ATOM 0 HD23 LEU A 11 4.944 12.226 11.998 1.00 2.45 H new ATOM 163 N ALA A 12 2.088 14.013 9.351 1.00 1.57 N ATOM 164 CA ALA A 12 1.564 15.217 8.703 1.00 1.79 C ATOM 165 C ALA A 12 2.312 15.518 7.410 1.00 1.71 C ATOM 166 O ALA A 12 3.541 15.510 7.378 1.00 2.29 O ATOM 167 CB ALA A 12 1.650 16.401 9.652 1.00 2.08 C ATOM 0 H ALA A 12 2.121 14.068 10.369 1.00 1.57 H new ATOM 0 HA ALA A 12 0.519 15.039 8.451 1.00 1.79 H new ATOM 0 HB1 ALA A 12 1.258 17.291 9.160 1.00 2.08 H new ATOM 0 HB2 ALA A 12 1.064 16.193 10.547 1.00 2.08 H new ATOM 0 HB3 ALA A 12 2.690 16.569 9.931 1.00 2.08 H new ATOM 173 N SER A 13 1.564 15.763 6.339 1.00 1.54 N ATOM 174 CA SER A 13 2.161 16.042 5.039 1.00 1.42 C ATOM 175 C SER A 13 3.029 14.861 4.599 1.00 1.10 C ATOM 176 O SER A 13 4.233 15.009 4.381 1.00 1.17 O ATOM 177 CB SER A 13 2.999 17.323 5.094 1.00 1.72 C ATOM 178 OG SER A 13 3.580 17.608 3.834 1.00 2.45 O ATOM 0 H SER A 13 0.544 15.774 6.346 1.00 1.54 H new ATOM 0 HA SER A 13 1.361 16.186 4.312 1.00 1.42 H new ATOM 0 HB2 SER A 13 2.372 18.158 5.406 1.00 1.72 H new ATOM 0 HB3 SER A 13 3.783 17.216 5.843 1.00 1.72 H new ATOM 0 HG SER A 13 4.168 16.870 3.570 1.00 2.45 H new ATOM 184 N PRO A 14 2.425 13.663 4.470 1.00 0.96 N ATOM 185 CA PRO A 14 3.136 12.451 4.064 1.00 0.92 C ATOM 186 C PRO A 14 3.385 12.416 2.563 1.00 0.86 C ATOM 187 O PRO A 14 3.839 11.410 2.019 1.00 0.90 O ATOM 188 CB PRO A 14 2.187 11.312 4.468 1.00 1.18 C ATOM 189 CG PRO A 14 1.021 11.958 5.151 1.00 1.23 C ATOM 190 CD PRO A 14 1.006 13.389 4.708 1.00 1.14 C ATOM 0 HA PRO A 14 4.119 12.384 4.530 1.00 0.92 H new ATOM 0 HB2 PRO A 14 1.862 10.748 3.594 1.00 1.18 H new ATOM 0 HB3 PRO A 14 2.686 10.608 5.134 1.00 1.18 H new ATOM 0 HG2 PRO A 14 0.090 11.459 4.883 1.00 1.23 H new ATOM 0 HG3 PRO A 14 1.119 11.889 6.234 1.00 1.23 H new ATOM 0 HD2 PRO A 14 0.409 13.528 3.807 1.00 1.14 H new ATOM 0 HD3 PRO A 14 0.589 14.046 5.471 1.00 1.14 H new ATOM 198 N LEU A 15 3.071 13.523 1.904 1.00 0.89 N ATOM 199 CA LEU A 15 3.239 13.641 0.462 1.00 0.90 C ATOM 200 C LEU A 15 4.668 13.298 0.040 1.00 0.84 C ATOM 201 O LEU A 15 4.880 12.578 -0.934 1.00 0.84 O ATOM 202 CB LEU A 15 2.888 15.063 0.016 1.00 1.07 C ATOM 203 CG LEU A 15 2.810 15.274 -1.497 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.676 14.451 -2.092 1.00 1.67 C ATOM 205 CD2 LEU A 15 2.630 16.750 -1.821 1.00 1.72 C ATOM 0 H LEU A 15 2.695 14.360 2.350 1.00 0.89 H new ATOM 0 HA LEU A 15 2.567 12.931 -0.020 1.00 0.90 H new ATOM 0 HB2 LEU A 15 1.928 15.337 0.454 1.00 1.07 H new ATOM 0 HB3 LEU A 15 3.632 15.748 0.424 1.00 1.07 H new ATOM 0 HG LEU A 15 3.747 14.938 -1.941 1.00 1.33 H new ATOM 0 HD11 LEU A 15 1.635 14.613 -3.169 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.849 13.394 -1.891 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.731 14.756 -1.643 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.577 16.881 -2.902 1.00 1.72 H new ATOM 0 HD22 LEU A 15 1.709 17.113 -1.365 1.00 1.72 H new ATOM 0 HD23 LEU A 15 3.476 17.314 -1.428 1.00 1.72 H new ATOM 217 N GLU A 16 5.642 13.823 0.773 1.00 0.86 N ATOM 218 CA GLU A 16 7.050 13.581 0.468 1.00 0.88 C ATOM 219 C GLU A 16 7.389 12.091 0.471 1.00 0.76 C ATOM 220 O GLU A 16 8.159 11.624 -0.371 1.00 0.75 O ATOM 221 CB GLU A 16 7.942 14.321 1.466 1.00 1.05 C ATOM 222 CG GLU A 16 7.768 15.832 1.433 1.00 1.40 C ATOM 223 CD GLU A 16 8.673 16.544 2.418 1.00 1.82 C ATOM 224 OE1 GLU A 16 9.910 16.399 2.301 1.00 2.49 O ATOM 225 OE2 GLU A 16 8.148 17.250 3.304 1.00 2.16 O ATOM 0 H GLU A 16 5.484 14.420 1.585 1.00 0.86 H new ATOM 0 HA GLU A 16 7.235 13.960 -0.537 1.00 0.88 H new ATOM 0 HB2 GLU A 16 7.725 13.960 2.472 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.984 14.079 1.258 1.00 1.05 H new ATOM 0 HG2 GLU A 16 7.975 16.196 0.427 1.00 1.40 H new ATOM 0 HG3 GLU A 16 6.730 16.079 1.655 1.00 1.40 H new ATOM 232 N GLN A 17 6.827 11.349 1.421 1.00 0.73 N ATOM 233 CA GLN A 17 7.092 9.914 1.521 1.00 0.71 C ATOM 234 C GLN A 17 6.384 9.145 0.423 1.00 0.57 C ATOM 235 O GLN A 17 7.022 8.506 -0.409 1.00 0.51 O ATOM 236 CB GLN A 17 6.658 9.388 2.885 1.00 0.86 C ATOM 237 CG GLN A 17 7.320 10.113 4.040 1.00 1.20 C ATOM 238 CD GLN A 17 8.829 10.120 3.926 1.00 1.35 C ATOM 239 OE1 GLN A 17 9.384 10.621 2.949 1.00 2.20 O ATOM 240 NE2 GLN A 17 9.502 9.578 4.931 1.00 1.36 N ATOM 0 H GLN A 17 6.189 11.713 2.129 1.00 0.73 H new ATOM 0 HA GLN A 17 8.165 9.766 1.404 1.00 0.71 H new ATOM 0 HB2 GLN A 17 5.576 9.483 2.977 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.892 8.325 2.949 1.00 0.86 H new ATOM 0 HG2 GLN A 17 6.956 11.140 4.078 1.00 1.20 H new ATOM 0 HG3 GLN A 17 7.031 9.638 4.977 1.00 1.20 H new ATOM 0 HE21 GLN A 17 9.000 9.174 5.722 1.00 1.36 H new ATOM 0 HE22 GLN A 17 10.522 9.565 4.914 1.00 1.36 H new ATOM 249 N VAL A 18 5.061 9.208 0.437 1.00 0.57 N ATOM 250 CA VAL A 18 4.250 8.511 -0.561 1.00 0.53 C ATOM 251 C VAL A 18 4.827 8.694 -1.965 1.00 0.49 C ATOM 252 O VAL A 18 4.852 7.753 -2.751 1.00 0.51 O ATOM 253 CB VAL A 18 2.784 8.993 -0.540 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.696 10.481 -0.839 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.943 8.194 -1.524 1.00 1.25 C ATOM 0 H VAL A 18 4.523 9.733 1.126 1.00 0.57 H new ATOM 0 HA VAL A 18 4.271 7.452 -0.302 1.00 0.53 H new ATOM 0 HB VAL A 18 2.388 8.828 0.462 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.652 10.795 -0.818 1.00 1.10 H new ATOM 0 HG12 VAL A 18 3.257 11.037 -0.088 1.00 1.10 H new ATOM 0 HG13 VAL A 18 3.115 10.679 -1.826 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.913 8.549 -1.494 1.00 1.25 H new ATOM 0 HG22 VAL A 18 2.342 8.321 -2.530 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.971 7.139 -1.253 1.00 1.25 H new ATOM 265 N ASN A 19 5.304 9.902 -2.261 1.00 0.52 N ATOM 266 CA ASN A 19 5.899 10.206 -3.561 1.00 0.57 C ATOM 267 C ASN A 19 7.298 9.608 -3.684 1.00 0.50 C ATOM 268 O ASN A 19 7.749 9.278 -4.779 1.00 0.52 O ATOM 269 CB ASN A 19 5.996 11.719 -3.761 1.00 0.72 C ATOM 270 CG ASN A 19 4.649 12.371 -4.001 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.868 11.923 -4.837 1.00 1.96 O ATOM 272 ND2 ASN A 19 4.382 13.452 -3.284 1.00 1.71 N ATOM 0 H ASN A 19 5.290 10.690 -1.614 1.00 0.52 H new ATOM 0 HA ASN A 19 5.255 9.768 -4.323 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.459 12.167 -2.882 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.650 11.927 -4.607 1.00 0.72 H new ATOM 0 HD21 ASN A 19 3.499 13.946 -3.416 1.00 1.71 H new ATOM 0 HD22 ASN A 19 5.059 13.790 -2.600 1.00 1.71 H new ATOM 279 N ALA A 20 7.981 9.501 -2.554 1.00 0.49 N ATOM 280 CA ALA A 20 9.341 8.974 -2.508 1.00 0.49 C ATOM 281 C ALA A 20 9.468 7.609 -3.190 1.00 0.42 C ATOM 282 O ALA A 20 10.235 7.451 -4.144 1.00 0.48 O ATOM 283 CB ALA A 20 9.807 8.892 -1.063 1.00 0.57 C ATOM 0 H ALA A 20 7.611 9.776 -1.644 1.00 0.49 H new ATOM 0 HA ALA A 20 9.979 9.661 -3.064 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.823 8.498 -1.030 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.789 9.887 -0.618 1.00 0.57 H new ATOM 0 HB3 ALA A 20 9.144 8.232 -0.504 1.00 0.57 H new ATOM 289 N ALA A 21 8.709 6.626 -2.717 1.00 0.41 N ATOM 290 CA ALA A 21 8.755 5.291 -3.309 1.00 0.45 C ATOM 291 C ALA A 21 7.962 5.302 -4.589 1.00 0.36 C ATOM 292 O ALA A 21 8.250 4.566 -5.528 1.00 0.40 O ATOM 293 CB ALA A 21 8.229 4.232 -2.354 1.00 0.64 C ATOM 0 H ALA A 21 8.062 6.725 -1.935 1.00 0.41 H new ATOM 0 HA ALA A 21 9.793 5.034 -3.520 1.00 0.45 H new ATOM 0 HB1 ALA A 21 8.280 3.254 -2.832 1.00 0.64 H new ATOM 0 HB2 ALA A 21 8.835 4.226 -1.448 1.00 0.64 H new ATOM 0 HB3 ALA A 21 7.194 4.456 -2.096 1.00 0.64 H new ATOM 299 N LEU A 22 6.984 6.194 -4.623 1.00 0.40 N ATOM 300 CA LEU A 22 6.156 6.383 -5.791 1.00 0.47 C ATOM 301 C LEU A 22 7.047 6.799 -6.953 1.00 0.44 C ATOM 302 O LEU A 22 6.773 6.509 -8.118 1.00 0.53 O ATOM 303 CB LEU A 22 5.117 7.460 -5.491 1.00 0.64 C ATOM 304 CG LEU A 22 4.533 8.151 -6.707 1.00 1.16 C ATOM 305 CD1 LEU A 22 3.665 7.190 -7.493 1.00 1.74 C ATOM 306 CD2 LEU A 22 3.738 9.380 -6.298 1.00 1.73 C ATOM 0 H LEU A 22 6.747 6.803 -3.840 1.00 0.40 H new ATOM 0 HA LEU A 22 5.637 5.461 -6.054 1.00 0.47 H new ATOM 0 HB2 LEU A 22 4.303 7.009 -4.924 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.573 8.214 -4.849 1.00 0.64 H new ATOM 0 HG LEU A 22 5.354 8.476 -7.345 1.00 1.16 H new ATOM 0 HD11 LEU A 22 3.253 7.701 -8.363 1.00 1.74 H new ATOM 0 HD12 LEU A 22 4.266 6.342 -7.821 1.00 1.74 H new ATOM 0 HD13 LEU A 22 2.851 6.835 -6.861 1.00 1.74 H new ATOM 0 HD21 LEU A 22 3.328 9.860 -7.186 1.00 1.73 H new ATOM 0 HD22 LEU A 22 2.923 9.083 -5.637 1.00 1.73 H new ATOM 0 HD23 LEU A 22 4.392 10.079 -5.776 1.00 1.73 H new ATOM 318 N LYS A 23 8.138 7.467 -6.593 1.00 0.43 N ATOM 319 CA LYS A 23 9.129 7.930 -7.547 1.00 0.52 C ATOM 320 C LYS A 23 9.876 6.739 -8.128 1.00 0.47 C ATOM 321 O LYS A 23 10.021 6.610 -9.344 1.00 0.56 O ATOM 322 CB LYS A 23 10.099 8.877 -6.841 1.00 0.61 C ATOM 323 CG LYS A 23 11.292 9.298 -7.679 1.00 1.13 C ATOM 324 CD LYS A 23 12.286 10.080 -6.838 1.00 1.51 C ATOM 325 CE LYS A 23 13.504 10.495 -7.650 1.00 2.12 C ATOM 326 NZ LYS A 23 14.224 9.320 -8.212 1.00 2.74 N ATOM 0 H LYS A 23 8.357 7.702 -5.625 1.00 0.43 H new ATOM 0 HA LYS A 23 8.639 8.463 -8.362 1.00 0.52 H new ATOM 0 HB2 LYS A 23 9.555 9.770 -6.532 1.00 0.61 H new ATOM 0 HB3 LYS A 23 10.461 8.395 -5.933 1.00 0.61 H new ATOM 0 HG2 LYS A 23 11.777 8.417 -8.100 1.00 1.13 H new ATOM 0 HG3 LYS A 23 10.957 9.909 -8.518 1.00 1.13 H new ATOM 0 HD2 LYS A 23 11.800 10.967 -6.431 1.00 1.51 H new ATOM 0 HD3 LYS A 23 12.603 9.473 -5.990 1.00 1.51 H new ATOM 0 HE2 LYS A 23 13.192 11.152 -8.462 1.00 2.12 H new ATOM 0 HE3 LYS A 23 14.183 11.069 -7.019 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 15.155 9.620 -8.566 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 14.350 8.603 -7.470 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 13.671 8.915 -8.994 1.00 2.74 H new ATOM 340 N ALA A 24 10.334 5.858 -7.242 1.00 0.40 N ATOM 341 CA ALA A 24 11.051 4.661 -7.655 1.00 0.43 C ATOM 342 C ALA A 24 10.083 3.628 -8.218 1.00 0.38 C ATOM 343 O ALA A 24 10.490 2.690 -8.902 1.00 0.46 O ATOM 344 CB ALA A 24 11.831 4.077 -6.488 1.00 0.51 C ATOM 0 H ALA A 24 10.220 5.953 -6.233 1.00 0.40 H new ATOM 0 HA ALA A 24 11.757 4.936 -8.438 1.00 0.43 H new ATOM 0 HB1 ALA A 24 12.361 3.183 -6.816 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.550 4.812 -6.126 1.00 0.51 H new ATOM 0 HB3 ALA A 24 11.142 3.817 -5.684 1.00 0.51 H new ATOM 350 N LEU A 25 8.794 3.813 -7.932 1.00 0.43 N ATOM 351 CA LEU A 25 7.769 2.901 -8.420 1.00 0.40 C ATOM 352 C LEU A 25 7.404 3.260 -9.852 1.00 0.37 C ATOM 353 O LEU A 25 6.861 2.441 -10.589 1.00 0.45 O ATOM 354 CB LEU A 25 6.519 2.947 -7.534 1.00 0.47 C ATOM 355 CG LEU A 25 5.601 1.732 -7.643 1.00 0.56 C ATOM 356 CD1 LEU A 25 6.314 0.481 -7.155 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.330 1.963 -6.845 1.00 1.04 C ATOM 0 H LEU A 25 8.439 4.584 -7.367 1.00 0.43 H new ATOM 0 HA LEU A 25 8.168 1.887 -8.388 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.833 3.054 -6.496 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.946 3.839 -7.787 1.00 0.47 H new ATOM 0 HG LEU A 25 5.335 1.589 -8.690 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.645 -0.375 -7.240 1.00 0.96 H new ATOM 0 HD12 LEU A 25 7.203 0.309 -7.762 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.606 0.612 -6.113 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.683 1.090 -6.930 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.583 2.126 -5.797 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.810 2.839 -7.234 1.00 1.04 H new ATOM 369 N GLY A 26 7.738 4.484 -10.250 1.00 0.43 N ATOM 370 CA GLY A 26 7.467 4.911 -11.605 1.00 0.53 C ATOM 371 C GLY A 26 8.457 4.274 -12.540 1.00 0.56 C ATOM 372 O GLY A 26 8.125 3.885 -13.660 1.00 0.82 O ATOM 0 H GLY A 26 8.189 5.183 -9.659 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.452 4.633 -11.889 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.531 5.997 -11.675 1.00 0.53 H new ATOM 376 N ASP A 27 9.678 4.142 -12.042 1.00 0.59 N ATOM 377 CA ASP A 27 10.748 3.517 -12.789 1.00 0.76 C ATOM 378 C ASP A 27 11.443 2.477 -11.921 1.00 0.56 C ATOM 379 O ASP A 27 12.267 2.809 -11.069 1.00 0.81 O ATOM 380 CB ASP A 27 11.753 4.569 -13.245 1.00 1.35 C ATOM 381 CG ASP A 27 11.151 5.565 -14.216 1.00 2.02 C ATOM 382 OD1 ASP A 27 10.674 5.136 -15.287 1.00 2.42 O ATOM 383 OD2 ASP A 27 11.157 6.775 -13.906 1.00 2.61 O ATOM 0 H ASP A 27 9.949 4.465 -11.113 1.00 0.59 H new ATOM 0 HA ASP A 27 10.328 3.027 -13.668 1.00 0.76 H new ATOM 0 HB2 ASP A 27 12.137 5.101 -12.375 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.603 4.075 -13.716 1.00 1.35 H new ATOM 388 N ILE A 28 11.103 1.216 -12.145 1.00 0.51 N ATOM 389 CA ILE A 28 11.686 0.114 -11.394 1.00 0.51 C ATOM 390 C ILE A 28 12.561 -0.736 -12.303 1.00 0.49 C ATOM 391 O ILE A 28 12.237 -0.910 -13.476 1.00 0.48 O ATOM 392 CB ILE A 28 10.587 -0.780 -10.783 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.491 0.083 -10.152 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.167 -1.736 -9.753 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.442 -0.710 -9.404 1.00 1.26 C ATOM 0 H ILE A 28 10.421 0.929 -12.847 1.00 0.51 H new ATOM 0 HA ILE A 28 12.288 0.540 -10.591 1.00 0.51 H new ATOM 0 HB ILE A 28 10.150 -1.375 -11.585 1.00 0.71 H new ATOM 0 HG12 ILE A 28 9.952 0.795 -9.467 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.004 0.664 -10.935 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.369 -2.353 -9.340 1.00 0.83 H new ATOM 0 HG22 ILE A 28 11.911 -2.375 -10.228 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.637 -1.166 -8.952 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.701 -0.029 -8.986 1.00 1.26 H new ATOM 0 HD12 ILE A 28 7.953 -1.403 -10.089 1.00 1.26 H new ATOM 0 HD13 ILE A 28 8.916 -1.270 -8.598 1.00 1.26 H new ATOM 407 N PRO A 29 13.674 -1.286 -11.779 1.00 0.68 N ATOM 408 CA PRO A 29 14.585 -2.131 -12.540 1.00 0.83 C ATOM 409 C PRO A 29 13.928 -2.848 -13.722 1.00 0.70 C ATOM 410 O PRO A 29 14.457 -2.832 -14.833 1.00 0.88 O ATOM 411 CB PRO A 29 15.005 -3.125 -11.472 1.00 1.07 C ATOM 412 CG PRO A 29 15.123 -2.299 -10.231 1.00 1.14 C ATOM 413 CD PRO A 29 14.156 -1.144 -10.386 1.00 0.87 C ATOM 0 HA PRO A 29 15.391 -1.568 -13.010 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.267 -3.919 -11.354 1.00 1.07 H new ATOM 0 HB3 PRO A 29 15.951 -3.604 -11.723 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.882 -2.890 -9.348 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.143 -1.936 -10.103 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.337 -1.206 -9.669 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.647 -0.184 -10.226 1.00 0.87 H new ATOM 421 N GLU A 30 12.781 -3.480 -13.479 1.00 0.54 N ATOM 422 CA GLU A 30 12.073 -4.205 -14.534 1.00 0.58 C ATOM 423 C GLU A 30 10.568 -3.937 -14.497 1.00 0.60 C ATOM 424 O GLU A 30 9.875 -4.108 -15.499 1.00 1.01 O ATOM 425 CB GLU A 30 12.326 -5.709 -14.396 1.00 0.62 C ATOM 426 CG GLU A 30 13.794 -6.097 -14.431 1.00 0.63 C ATOM 427 CD GLU A 30 14.456 -5.779 -15.759 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.975 -6.281 -16.797 1.00 1.66 O ATOM 429 OE2 GLU A 30 15.449 -5.023 -15.760 1.00 2.35 O ATOM 0 H GLU A 30 12.324 -3.505 -12.567 1.00 0.54 H new ATOM 0 HA GLU A 30 12.456 -3.849 -15.490 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.892 -6.055 -13.458 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.805 -6.229 -15.199 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.322 -5.575 -13.633 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.888 -7.164 -14.230 1.00 0.63 H new ATOM 436 N SER A 31 10.065 -3.544 -13.331 1.00 0.36 N ATOM 437 CA SER A 31 8.634 -3.281 -13.157 1.00 0.34 C ATOM 438 C SER A 31 8.195 -1.975 -13.827 1.00 0.36 C ATOM 439 O SER A 31 9.009 -1.262 -14.415 1.00 0.46 O ATOM 440 CB SER A 31 8.302 -3.240 -11.670 1.00 0.37 C ATOM 441 OG SER A 31 8.701 -4.434 -11.021 1.00 0.83 O ATOM 0 H SER A 31 10.624 -3.400 -12.490 1.00 0.36 H new ATOM 0 HA SER A 31 8.088 -4.090 -13.642 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.800 -2.388 -11.207 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.230 -3.093 -11.538 1.00 0.37 H new ATOM 0 HG SER A 31 8.477 -4.379 -10.068 1.00 0.83 H new ATOM 447 N HIS A 32 6.894 -1.669 -13.724 1.00 0.33 N ATOM 448 CA HIS A 32 6.330 -0.449 -14.311 1.00 0.39 C ATOM 449 C HIS A 32 4.867 -0.256 -13.903 1.00 0.34 C ATOM 450 O HIS A 32 4.054 -1.176 -13.997 1.00 0.36 O ATOM 451 CB HIS A 32 6.441 -0.480 -15.836 1.00 0.51 C ATOM 452 CG HIS A 32 5.803 0.698 -16.507 1.00 0.94 C ATOM 453 ND1 HIS A 32 6.182 2.000 -16.256 1.00 1.83 N ATOM 454 CD2 HIS A 32 4.810 0.767 -17.425 1.00 1.60 C ATOM 455 CE1 HIS A 32 5.450 2.818 -16.989 1.00 2.29 C ATOM 456 NE2 HIS A 32 4.611 2.097 -17.707 1.00 2.07 N ATOM 0 H HIS A 32 6.213 -2.252 -13.238 1.00 0.33 H new ATOM 0 HA HIS A 32 6.908 0.392 -13.928 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.494 -0.520 -16.115 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.978 -1.394 -16.207 1.00 0.51 H new ATOM 0 HD2 HIS A 32 4.275 -0.067 -17.855 1.00 1.60 H new ATOM 0 HE1 HIS A 32 5.525 3.895 -16.999 1.00 2.29 H new ATOM 0 HE2 HIS A 32 3.925 2.467 -18.365 1.00 2.07 H new ATOM 465 N ILE A 33 4.554 0.953 -13.442 1.00 0.36 N ATOM 466 CA ILE A 33 3.206 1.312 -12.997 1.00 0.36 C ATOM 467 C ILE A 33 2.135 1.014 -14.051 1.00 0.38 C ATOM 468 O ILE A 33 2.400 1.047 -15.253 1.00 0.50 O ATOM 469 CB ILE A 33 3.157 2.809 -12.619 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.822 3.030 -11.258 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.727 3.340 -12.611 1.00 0.93 C ATOM 472 CD1 ILE A 33 3.108 2.344 -10.113 1.00 1.05 C ATOM 0 H ILE A 33 5.228 1.714 -13.366 1.00 0.36 H new ATOM 0 HA ILE A 33 2.985 0.695 -12.126 1.00 0.36 H new ATOM 0 HB ILE A 33 3.707 3.366 -13.378 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.849 2.668 -11.303 1.00 0.58 H new ATOM 0 HG13 ILE A 33 3.869 4.100 -11.056 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.732 4.396 -12.341 1.00 0.93 H new ATOM 0 HG22 ILE A 33 1.289 3.221 -13.602 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.136 2.783 -11.884 1.00 0.93 H new ATOM 0 HD11 ILE A 33 3.637 2.546 -9.181 1.00 1.05 H new ATOM 0 HD12 ILE A 33 2.088 2.723 -10.041 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.084 1.269 -10.291 1.00 1.05 H new ATOM 484 N LEU A 34 0.916 0.735 -13.577 1.00 0.38 N ATOM 485 CA LEU A 34 -0.217 0.445 -14.453 1.00 0.50 C ATOM 486 C LEU A 34 -1.437 1.270 -14.019 1.00 0.46 C ATOM 487 O LEU A 34 -1.711 2.328 -14.584 1.00 0.60 O ATOM 488 CB LEU A 34 -0.535 -1.057 -14.419 1.00 0.65 C ATOM 489 CG LEU A 34 -1.348 -1.605 -15.602 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.734 -0.983 -15.654 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.607 -1.368 -16.911 1.00 1.34 C ATOM 0 H LEU A 34 0.691 0.705 -12.583 1.00 0.38 H new ATOM 0 HA LEU A 34 0.039 0.719 -15.476 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.406 -1.605 -14.366 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -1.081 -1.271 -13.500 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.469 -2.679 -15.458 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.284 -1.391 -16.502 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -3.269 -1.209 -14.731 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.644 0.097 -15.766 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -1.196 -1.762 -17.739 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.452 -0.298 -17.053 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.358 -1.874 -16.880 1.00 1.34 H new ATOM 503 N THR A 35 -2.153 0.784 -13.002 1.00 0.46 N ATOM 504 CA THR A 35 -3.329 1.485 -12.478 1.00 0.43 C ATOM 505 C THR A 35 -3.054 2.020 -11.076 1.00 0.43 C ATOM 506 O THR A 35 -2.641 1.272 -10.192 1.00 0.52 O ATOM 507 CB THR A 35 -4.548 0.559 -12.449 1.00 0.49 C ATOM 508 OG1 THR A 35 -4.202 -0.711 -11.927 1.00 0.68 O ATOM 509 CG2 THR A 35 -5.180 0.347 -13.808 1.00 0.72 C ATOM 0 H THR A 35 -1.939 -0.092 -12.525 1.00 0.46 H new ATOM 0 HA THR A 35 -3.542 2.323 -13.142 1.00 0.43 H new ATOM 0 HB THR A 35 -5.274 1.062 -11.810 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.745 -0.897 -11.132 1.00 0.68 H new ATOM 0 HG21 THR A 35 -6.037 -0.319 -13.711 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.509 1.305 -14.210 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.449 -0.098 -14.484 1.00 0.72 H new ATOM 517 N VAL A 36 -3.280 3.319 -10.878 1.00 0.40 N ATOM 518 CA VAL A 36 -3.045 3.953 -9.579 1.00 0.46 C ATOM 519 C VAL A 36 -3.983 5.133 -9.358 1.00 0.48 C ATOM 520 O VAL A 36 -3.977 6.092 -10.130 1.00 0.56 O ATOM 521 CB VAL A 36 -1.591 4.458 -9.449 1.00 0.58 C ATOM 522 CG1 VAL A 36 -1.377 5.141 -8.105 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.600 3.322 -9.630 1.00 1.45 C ATOM 0 H VAL A 36 -3.625 3.953 -11.599 1.00 0.40 H new ATOM 0 HA VAL A 36 -3.234 3.188 -8.826 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.419 5.188 -10.240 1.00 0.58 H new ATOM 0 HG11 VAL A 36 -0.347 5.489 -8.034 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -2.054 5.991 -8.017 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.577 4.433 -7.301 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.415 3.706 -9.533 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -0.774 2.562 -8.868 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -0.729 2.881 -10.618 1.00 1.45 H new ATOM 533 N SER A 37 -4.779 5.063 -8.293 1.00 0.45 N ATOM 534 CA SER A 37 -5.714 6.128 -7.959 1.00 0.54 C ATOM 535 C SER A 37 -6.472 5.773 -6.689 1.00 0.57 C ATOM 536 O SER A 37 -6.209 4.741 -6.071 1.00 1.08 O ATOM 537 CB SER A 37 -6.699 6.356 -9.113 1.00 0.65 C ATOM 538 OG SER A 37 -7.569 7.439 -8.838 1.00 1.28 O ATOM 0 H SER A 37 -4.793 4.275 -7.646 1.00 0.45 H new ATOM 0 HA SER A 37 -5.153 7.048 -7.794 1.00 0.54 H new ATOM 0 HB2 SER A 37 -6.147 6.554 -10.032 1.00 0.65 H new ATOM 0 HB3 SER A 37 -7.283 5.451 -9.280 1.00 0.65 H new ATOM 0 HG SER A 37 -8.185 7.563 -9.590 1.00 1.28 H new ATOM 544 N SER A 38 -7.420 6.624 -6.314 1.00 0.59 N ATOM 545 CA SER A 38 -8.235 6.394 -5.129 1.00 0.59 C ATOM 546 C SER A 38 -7.415 6.504 -3.841 1.00 0.52 C ATOM 547 O SER A 38 -7.156 5.504 -3.171 1.00 0.63 O ATOM 548 CB SER A 38 -8.896 5.016 -5.214 1.00 0.78 C ATOM 549 OG SER A 38 -9.672 4.894 -6.391 1.00 1.68 O ATOM 0 H SER A 38 -7.643 7.483 -6.817 1.00 0.59 H new ATOM 0 HA SER A 38 -9.001 7.168 -5.097 1.00 0.59 H new ATOM 0 HB2 SER A 38 -8.130 4.240 -5.198 1.00 0.78 H new ATOM 0 HB3 SER A 38 -9.528 4.858 -4.340 1.00 0.78 H new ATOM 0 HG SER A 38 -10.456 5.479 -6.328 1.00 1.68 H new ATOM 555 N PHE A 39 -7.033 7.726 -3.488 1.00 0.44 N ATOM 556 CA PHE A 39 -6.269 7.969 -2.261 1.00 0.50 C ATOM 557 C PHE A 39 -7.235 8.115 -1.087 1.00 0.57 C ATOM 558 O PHE A 39 -8.134 8.957 -1.119 1.00 0.75 O ATOM 559 CB PHE A 39 -5.408 9.233 -2.388 1.00 0.59 C ATOM 560 CG PHE A 39 -4.319 9.146 -3.427 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.603 8.696 -4.706 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.011 9.504 -3.123 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.610 8.606 -5.663 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.016 9.418 -4.077 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.299 9.004 -5.335 1.00 1.26 C ATOM 0 H PHE A 39 -7.237 8.565 -4.030 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.603 7.123 -2.091 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.056 10.076 -2.629 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -4.953 9.446 -1.421 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.614 8.412 -4.959 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -2.770 9.853 -2.130 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.837 8.235 -6.652 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.002 9.684 -3.817 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.522 8.979 -6.085 1.00 1.26 H new ATOM 575 N TYR A 40 -7.083 7.282 -0.060 1.00 0.65 N ATOM 576 CA TYR A 40 -8.000 7.349 1.070 1.00 0.81 C ATOM 577 C TYR A 40 -7.330 7.686 2.394 1.00 0.71 C ATOM 578 O TYR A 40 -6.106 7.796 2.492 1.00 0.71 O ATOM 579 CB TYR A 40 -8.829 6.073 1.162 1.00 1.01 C ATOM 580 CG TYR A 40 -9.856 6.015 0.059 1.00 1.49 C ATOM 581 CD1 TYR A 40 -9.474 5.806 -1.258 1.00 1.73 C ATOM 582 CD2 TYR A 40 -11.199 6.229 0.327 1.00 2.39 C ATOM 583 CE1 TYR A 40 -10.403 5.807 -2.278 1.00 2.61 C ATOM 584 CE2 TYR A 40 -12.137 6.225 -0.687 1.00 3.35 C ATOM 585 CZ TYR A 40 -11.731 6.017 -1.988 1.00 3.41 C ATOM 586 OH TYR A 40 -12.660 6.018 -3.004 1.00 4.43 O ATOM 0 H TYR A 40 -6.354 6.572 0.012 1.00 0.65 H new ATOM 0 HA TYR A 40 -8.667 8.188 0.874 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -8.174 5.204 1.100 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.327 6.028 2.130 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -8.432 5.640 -1.489 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -11.517 6.402 1.345 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -10.089 5.644 -3.298 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -13.181 6.384 -0.462 1.00 3.35 H new ATOM 0 HH TYR A 40 -12.920 5.096 -3.211 1.00 4.43 H new ATOM 596 N ARG A 41 -8.180 7.900 3.396 1.00 0.70 N ATOM 597 CA ARG A 41 -7.745 8.294 4.733 1.00 0.67 C ATOM 598 C ARG A 41 -7.570 7.106 5.678 1.00 0.64 C ATOM 599 O ARG A 41 -8.488 6.311 5.876 1.00 0.70 O ATOM 600 CB ARG A 41 -8.779 9.264 5.315 1.00 0.79 C ATOM 601 CG ARG A 41 -8.463 9.748 6.718 1.00 0.95 C ATOM 602 CD ARG A 41 -9.575 10.626 7.266 1.00 1.52 C ATOM 603 NE ARG A 41 -9.819 11.792 6.419 1.00 2.11 N ATOM 604 CZ ARG A 41 -10.741 12.713 6.682 1.00 2.49 C ATOM 605 NH1 ARG A 41 -11.497 12.607 7.767 1.00 2.37 N ATOM 606 NH2 ARG A 41 -10.908 13.740 5.861 1.00 3.51 N ATOM 0 H ARG A 41 -9.191 7.805 3.303 1.00 0.70 H new ATOM 0 HA ARG A 41 -6.767 8.766 4.639 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -8.861 10.128 4.655 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.753 8.776 5.323 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.317 8.891 7.376 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -7.527 10.307 6.709 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -10.491 10.041 7.350 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -9.314 10.956 8.271 1.00 1.52 H new ATOM 0 HE ARG A 41 -9.250 11.905 5.580 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -11.371 11.818 8.401 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -12.204 13.315 7.967 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -10.329 13.825 5.026 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -11.616 14.446 6.064 1.00 3.51 H new ATOM 620 N THR A 42 -6.385 7.018 6.282 1.00 0.80 N ATOM 621 CA THR A 42 -6.082 5.953 7.238 1.00 0.97 C ATOM 622 C THR A 42 -5.917 6.522 8.657 1.00 1.03 C ATOM 623 O THR A 42 -4.860 7.066 9.014 1.00 1.12 O ATOM 624 CB THR A 42 -4.814 5.212 6.822 1.00 1.17 C ATOM 625 OG1 THR A 42 -4.967 4.661 5.527 1.00 1.44 O ATOM 626 CG2 THR A 42 -4.446 4.084 7.758 1.00 1.32 C ATOM 0 H THR A 42 -5.618 7.672 6.126 1.00 0.80 H new ATOM 0 HA THR A 42 -6.917 5.253 7.242 1.00 0.97 H new ATOM 0 HB THR A 42 -4.018 5.956 6.848 1.00 1.17 H new ATOM 0 HG1 THR A 42 -5.652 3.960 5.548 1.00 1.44 H new ATOM 0 HG21 THR A 42 -3.536 3.600 7.404 1.00 1.32 H new ATOM 0 HG22 THR A 42 -4.280 4.482 8.759 1.00 1.32 H new ATOM 0 HG23 THR A 42 -5.257 3.356 7.787 1.00 1.32 H new ATOM 634 N PRO A 43 -6.964 6.408 9.493 1.00 1.12 N ATOM 635 CA PRO A 43 -6.940 6.908 10.864 1.00 1.31 C ATOM 636 C PRO A 43 -6.233 5.944 11.810 1.00 1.50 C ATOM 637 O PRO A 43 -6.516 4.745 11.805 1.00 1.71 O ATOM 638 CB PRO A 43 -8.426 7.028 11.240 1.00 1.48 C ATOM 639 CG PRO A 43 -9.202 6.585 10.034 1.00 1.38 C ATOM 640 CD PRO A 43 -8.254 5.795 9.178 1.00 1.15 C ATOM 0 HA PRO A 43 -6.395 7.849 10.942 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -8.660 6.405 12.103 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -8.678 8.054 11.509 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -10.058 5.977 10.326 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -9.593 7.444 9.488 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -8.271 4.734 9.425 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -8.496 5.879 8.119 1.00 1.15 H new ATOM 648 N PRO A 44 -5.306 6.449 12.646 1.00 1.55 N ATOM 649 CA PRO A 44 -4.578 5.608 13.596 1.00 1.80 C ATOM 650 C PRO A 44 -5.538 4.872 14.525 1.00 2.15 C ATOM 651 O PRO A 44 -5.590 3.641 14.538 1.00 2.77 O ATOM 652 CB PRO A 44 -3.720 6.602 14.384 1.00 1.80 C ATOM 653 CG PRO A 44 -3.629 7.814 13.523 1.00 1.81 C ATOM 654 CD PRO A 44 -4.906 7.865 12.734 1.00 1.54 C ATOM 0 HA PRO A 44 -3.988 4.836 13.102 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -4.175 6.837 15.346 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -2.732 6.191 14.590 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -3.509 8.713 14.128 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -2.765 7.757 12.861 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -5.664 8.467 13.234 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -4.752 8.302 11.747 1.00 1.54 H new ATOM 662 N LEU A 45 -6.313 5.647 15.278 1.00 2.16 N ATOM 663 CA LEU A 45 -7.308 5.101 16.199 1.00 2.52 C ATOM 664 C LEU A 45 -6.731 4.013 17.105 1.00 2.69 C ATOM 665 O LEU A 45 -7.433 3.067 17.464 1.00 3.09 O ATOM 666 CB LEU A 45 -8.493 4.542 15.407 1.00 2.75 C ATOM 667 CG LEU A 45 -9.247 5.565 14.550 1.00 3.05 C ATOM 668 CD1 LEU A 45 -10.357 4.886 13.761 1.00 3.66 C ATOM 669 CD2 LEU A 45 -9.817 6.678 15.418 1.00 3.32 C ATOM 0 H LEU A 45 -6.271 6.666 15.268 1.00 2.16 H new ATOM 0 HA LEU A 45 -7.638 5.917 16.843 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -8.132 3.744 14.758 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -9.196 4.090 16.107 1.00 2.75 H new ATOM 0 HG LEU A 45 -8.541 6.006 13.846 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -10.881 5.628 13.159 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -9.927 4.126 13.108 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -11.059 4.417 14.450 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -10.348 7.393 14.790 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -10.507 6.253 16.148 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -9.005 7.185 15.939 1.00 3.32 H new ATOM 681 N GLY A 46 -5.463 4.151 17.486 1.00 2.52 N ATOM 682 CA GLY A 46 -4.853 3.162 18.359 1.00 2.73 C ATOM 683 C GLY A 46 -3.337 3.231 18.376 1.00 2.68 C ATOM 684 O GLY A 46 -2.750 3.734 19.334 1.00 2.81 O ATOM 0 H GLY A 46 -4.853 4.921 17.210 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -5.228 3.302 19.373 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -5.161 2.166 18.040 1.00 2.73 H new ATOM 688 N PRO A 47 -2.671 2.717 17.325 1.00 2.59 N ATOM 689 CA PRO A 47 -1.207 2.715 17.238 1.00 2.65 C ATOM 690 C PRO A 47 -0.594 4.082 17.523 1.00 2.60 C ATOM 691 O PRO A 47 0.515 4.176 18.051 1.00 2.86 O ATOM 692 CB PRO A 47 -0.941 2.312 15.788 1.00 2.59 C ATOM 693 CG PRO A 47 -2.129 1.504 15.396 1.00 2.63 C ATOM 694 CD PRO A 47 -3.296 2.086 16.145 1.00 2.54 C ATOM 0 HA PRO A 47 -0.763 2.048 17.977 1.00 2.65 H new ATOM 0 HB2 PRO A 47 -0.829 3.187 15.148 1.00 2.59 H new ATOM 0 HB3 PRO A 47 -0.022 1.733 15.700 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -2.294 1.551 14.320 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -1.987 0.454 15.651 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -3.838 2.814 15.541 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -4.011 1.316 16.434 1.00 2.54 H new ATOM 702 N GLN A 48 -1.315 5.137 17.163 1.00 2.39 N ATOM 703 CA GLN A 48 -0.834 6.499 17.369 1.00 2.50 C ATOM 704 C GLN A 48 -1.983 7.447 17.689 1.00 2.40 C ATOM 705 O GLN A 48 -3.053 7.368 17.086 1.00 2.57 O ATOM 706 CB GLN A 48 -0.104 6.987 16.116 1.00 2.56 C ATOM 707 CG GLN A 48 1.118 6.156 15.755 1.00 2.73 C ATOM 708 CD GLN A 48 1.680 6.489 14.383 1.00 2.73 C ATOM 709 OE1 GLN A 48 0.972 7.327 13.631 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 2.734 5.986 13.996 1.00 2.45 N flip ATOM 0 H GLN A 48 -2.235 5.076 16.727 1.00 2.39 H new ATOM 0 HA GLN A 48 -0.149 6.490 18.216 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.798 6.979 15.276 1.00 2.56 H new ATOM 0 HB3 GLN A 48 0.203 8.022 16.266 1.00 2.56 H new ATOM 0 HG2 GLN A 48 1.892 6.313 16.506 1.00 2.73 H new ATOM 0 HG3 GLN A 48 0.854 5.099 15.786 1.00 2.73 H new ATOM 0 HE21 GLN A 48 3.248 5.348 14.603 1.00 2.45 H new ATOM 0 HE22 GLN A 48 3.094 6.208 13.068 1.00 2.45 H new ATOM 719 N ASP A 49 -1.749 8.359 18.624 1.00 2.45 N ATOM 720 CA ASP A 49 -2.760 9.338 18.996 1.00 2.47 C ATOM 721 C ASP A 49 -2.665 10.533 18.055 1.00 2.38 C ATOM 722 O ASP A 49 -3.375 11.528 18.206 1.00 2.57 O ATOM 723 CB ASP A 49 -2.568 9.782 20.450 1.00 2.79 C ATOM 724 CG ASP A 49 -3.718 10.632 20.962 1.00 2.83 C ATOM 725 OD1 ASP A 49 -4.704 10.807 20.214 1.00 3.28 O ATOM 726 OD2 ASP A 49 -3.631 11.132 22.103 1.00 3.02 O ATOM 0 H ASP A 49 -0.871 8.441 19.137 1.00 2.45 H new ATOM 0 HA ASP A 49 -3.749 8.888 18.911 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -2.463 8.901 21.083 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -1.639 10.347 20.533 1.00 2.79 H new ATOM 731 N GLN A 50 -1.773 10.416 17.074 1.00 2.26 N ATOM 732 CA GLN A 50 -1.561 11.469 16.091 1.00 2.39 C ATOM 733 C GLN A 50 -1.917 10.965 14.693 1.00 2.01 C ATOM 734 O GLN A 50 -1.469 9.893 14.284 1.00 2.19 O ATOM 735 CB GLN A 50 -0.103 11.937 16.114 1.00 3.08 C ATOM 736 CG GLN A 50 0.488 12.056 17.512 1.00 3.45 C ATOM 737 CD GLN A 50 0.834 10.710 18.119 1.00 3.73 C ATOM 738 OE1 GLN A 50 0.226 10.400 19.256 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 1.638 9.957 17.569 1.00 3.74 N flip ATOM 0 H GLN A 50 -1.183 9.595 16.941 1.00 2.26 H new ATOM 0 HA GLN A 50 -2.206 12.310 16.344 1.00 2.39 H new ATOM 0 HB2 GLN A 50 0.501 11.239 15.534 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -0.035 12.906 15.619 1.00 3.08 H new ATOM 0 HG2 GLN A 50 1.386 12.673 17.471 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -0.222 12.570 18.160 1.00 3.45 H new ATOM 0 HE21 GLN A 50 2.082 10.236 16.694 1.00 3.74 H new ATOM 0 HE22 GLN A 50 1.860 9.054 17.988 1.00 3.74 H new ATOM 748 N PRO A 51 -2.731 11.728 13.939 1.00 1.98 N ATOM 749 CA PRO A 51 -3.143 11.346 12.582 1.00 2.00 C ATOM 750 C PRO A 51 -1.966 10.937 11.700 1.00 1.82 C ATOM 751 O PRO A 51 -0.832 11.360 11.928 1.00 2.47 O ATOM 752 CB PRO A 51 -3.795 12.619 12.045 1.00 2.71 C ATOM 753 CG PRO A 51 -4.305 13.318 13.256 1.00 2.89 C ATOM 754 CD PRO A 51 -3.316 13.020 14.350 1.00 2.51 C ATOM 0 HA PRO A 51 -3.801 10.477 12.588 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -3.076 13.235 11.505 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -4.603 12.388 11.351 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -4.385 14.391 13.083 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -5.301 12.963 13.522 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -2.557 13.798 14.428 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -3.802 12.950 15.323 1.00 2.51 H new ATOM 762 N ASP A 52 -2.244 10.109 10.695 1.00 1.32 N ATOM 763 CA ASP A 52 -1.210 9.638 9.779 1.00 1.52 C ATOM 764 C ASP A 52 -1.816 9.209 8.444 1.00 1.28 C ATOM 765 O ASP A 52 -1.105 8.831 7.514 1.00 2.07 O ATOM 766 CB ASP A 52 -0.443 8.472 10.406 1.00 2.12 C ATOM 767 CG ASP A 52 -1.335 7.296 10.755 1.00 2.77 C ATOM 768 OD1 ASP A 52 -2.057 6.816 9.858 1.00 3.33 O ATOM 769 OD2 ASP A 52 -1.325 6.866 11.928 1.00 3.26 O ATOM 0 H ASP A 52 -3.178 9.751 10.495 1.00 1.32 H new ATOM 0 HA ASP A 52 -0.520 10.461 9.592 1.00 1.52 H new ATOM 0 HB2 ASP A 52 0.332 8.141 9.715 1.00 2.12 H new ATOM 0 HB3 ASP A 52 0.061 8.819 11.308 1.00 2.12 H new ATOM 774 N TYR A 53 -3.138 9.236 8.386 1.00 0.84 N ATOM 775 CA TYR A 53 -3.894 8.824 7.214 1.00 1.19 C ATOM 776 C TYR A 53 -3.367 9.322 5.864 1.00 0.96 C ATOM 777 O TYR A 53 -3.689 10.420 5.427 1.00 1.43 O ATOM 778 CB TYR A 53 -5.327 9.338 7.390 1.00 2.08 C ATOM 779 CG TYR A 53 -5.441 10.697 8.067 1.00 3.12 C ATOM 780 CD1 TYR A 53 -4.657 11.763 7.642 1.00 3.74 C ATOM 781 CD2 TYR A 53 -6.318 10.913 9.125 1.00 3.88 C ATOM 782 CE1 TYR A 53 -4.745 13.002 8.250 1.00 4.86 C ATOM 783 CE2 TYR A 53 -6.409 12.150 9.736 1.00 5.03 C ATOM 784 CZ TYR A 53 -5.679 13.175 9.314 1.00 5.45 C ATOM 785 OH TYR A 53 -5.709 14.421 9.902 1.00 6.66 O ATOM 0 H TYR A 53 -3.723 9.548 9.161 1.00 0.84 H new ATOM 0 HA TYR A 53 -3.812 7.738 7.168 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -5.800 9.396 6.410 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -5.890 8.609 7.973 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -3.967 11.621 6.823 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -6.938 10.101 9.475 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -4.120 13.821 7.926 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -7.084 12.284 10.569 1.00 5.03 H new ATOM 0 HH TYR A 53 -6.381 14.430 10.615 1.00 6.66 H new ATOM 795 N LEU A 54 -2.633 8.456 5.160 1.00 0.84 N ATOM 796 CA LEU A 54 -2.146 8.764 3.820 1.00 0.76 C ATOM 797 C LEU A 54 -2.000 7.462 3.046 1.00 0.76 C ATOM 798 O LEU A 54 -1.044 6.727 3.256 1.00 0.98 O ATOM 799 CB LEU A 54 -0.809 9.512 3.875 1.00 0.97 C ATOM 800 CG LEU A 54 -0.312 10.108 2.545 1.00 1.15 C ATOM 801 CD1 LEU A 54 0.056 9.020 1.548 1.00 1.60 C ATOM 802 CD2 LEU A 54 -1.357 11.037 1.948 1.00 1.60 C ATOM 0 H LEU A 54 -2.364 7.533 5.501 1.00 0.84 H new ATOM 0 HA LEU A 54 -2.860 9.416 3.318 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -0.897 10.320 4.601 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -0.048 8.828 4.250 1.00 0.97 H new ATOM 0 HG LEU A 54 0.588 10.684 2.761 1.00 1.15 H new ATOM 0 HD11 LEU A 54 0.402 9.478 0.621 1.00 1.60 H new ATOM 0 HD12 LEU A 54 0.849 8.398 1.964 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -0.819 8.403 1.343 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -0.985 11.447 1.009 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -2.275 10.480 1.763 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -1.560 11.851 2.644 1.00 1.60 H new ATOM 814 N ASN A 55 -2.956 7.156 2.173 1.00 0.60 N ATOM 815 CA ASN A 55 -2.893 5.910 1.411 1.00 0.66 C ATOM 816 C ASN A 55 -3.371 6.074 -0.027 1.00 0.50 C ATOM 817 O ASN A 55 -3.999 7.071 -0.384 1.00 0.56 O ATOM 818 CB ASN A 55 -3.705 4.817 2.109 1.00 0.87 C ATOM 819 CG ASN A 55 -3.047 4.339 3.389 1.00 1.51 C ATOM 820 OD1 ASN A 55 -2.826 5.115 4.317 1.00 2.21 O ATOM 821 ND2 ASN A 55 -2.724 3.052 3.442 1.00 2.21 N ATOM 0 H ASN A 55 -3.769 7.740 1.977 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.843 5.619 1.371 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -4.701 5.196 2.335 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -3.832 3.973 1.431 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -2.275 2.673 4.276 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -2.925 2.443 2.649 1.00 2.21 H new ATOM 828 N ALA A 56 -3.060 5.066 -0.839 1.00 0.50 N ATOM 829 CA ALA A 56 -3.432 5.041 -2.248 1.00 0.45 C ATOM 830 C ALA A 56 -3.182 3.654 -2.833 1.00 0.45 C ATOM 831 O ALA A 56 -2.180 3.009 -2.521 1.00 0.61 O ATOM 832 CB ALA A 56 -2.647 6.091 -3.020 1.00 0.58 C ATOM 0 H ALA A 56 -2.541 4.242 -0.535 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.494 5.270 -2.334 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.935 6.061 -4.071 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -2.863 7.079 -2.613 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.580 5.887 -2.930 1.00 0.58 H new ATOM 838 N ALA A 57 -4.102 3.196 -3.675 1.00 0.43 N ATOM 839 CA ALA A 57 -3.978 1.880 -4.288 1.00 0.47 C ATOM 840 C ALA A 57 -3.142 1.928 -5.556 1.00 0.40 C ATOM 841 O ALA A 57 -3.505 2.585 -6.532 1.00 0.44 O ATOM 842 CB ALA A 57 -5.351 1.304 -4.592 1.00 0.59 C ATOM 0 H ALA A 57 -4.937 3.714 -3.947 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.468 1.233 -3.574 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.240 0.321 -5.049 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.920 1.212 -3.667 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.879 1.966 -5.278 1.00 0.59 H new ATOM 848 N VAL A 58 -2.027 1.204 -5.541 1.00 0.39 N ATOM 849 CA VAL A 58 -1.146 1.139 -6.687 1.00 0.39 C ATOM 850 C VAL A 58 -1.124 -0.273 -7.246 1.00 0.40 C ATOM 851 O VAL A 58 -0.976 -1.240 -6.506 1.00 0.60 O ATOM 852 CB VAL A 58 0.288 1.562 -6.329 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.206 1.387 -7.526 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.313 3.001 -5.836 1.00 1.22 C ATOM 0 H VAL A 58 -1.717 0.654 -4.740 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.531 1.833 -7.434 1.00 0.39 H new ATOM 0 HB VAL A 58 0.648 0.921 -5.524 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.217 1.691 -7.256 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.211 0.341 -7.831 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.850 2.004 -8.351 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.336 3.283 -5.587 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.065 3.660 -6.618 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.314 3.093 -4.949 1.00 1.22 H new ATOM 864 N ALA A 59 -1.249 -0.380 -8.555 1.00 0.34 N ATOM 865 CA ALA A 59 -1.227 -1.662 -9.228 1.00 0.36 C ATOM 866 C ALA A 59 -0.204 -1.605 -10.340 1.00 0.37 C ATOM 867 O ALA A 59 -0.498 -1.181 -11.457 1.00 0.43 O ATOM 868 CB ALA A 59 -2.609 -2.010 -9.767 1.00 0.44 C ATOM 0 H ALA A 59 -1.368 0.418 -9.179 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.950 -2.446 -8.523 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.571 -2.977 -10.269 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.320 -2.057 -8.942 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.926 -1.245 -10.476 1.00 0.44 H new ATOM 874 N LEU A 60 1.009 -1.998 -10.005 1.00 0.37 N ATOM 875 CA LEU A 60 2.112 -1.963 -10.944 1.00 0.45 C ATOM 876 C LEU A 60 2.554 -3.365 -11.350 1.00 0.39 C ATOM 877 O LEU A 60 2.552 -4.290 -10.538 1.00 0.38 O ATOM 878 CB LEU A 60 3.264 -1.176 -10.310 1.00 0.56 C ATOM 879 CG LEU A 60 4.629 -1.323 -10.975 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.480 -0.099 -10.701 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.334 -2.567 -10.466 1.00 0.98 C ATOM 0 H LEU A 60 1.257 -2.349 -9.080 1.00 0.37 H new ATOM 0 HA LEU A 60 1.789 -1.468 -11.860 1.00 0.45 H new ATOM 0 HB2 LEU A 60 2.996 -0.119 -10.308 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.356 -1.483 -9.268 1.00 0.56 H new ATOM 0 HG LEU A 60 4.481 -1.418 -12.051 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.452 -0.216 -11.181 1.00 0.44 H new ATOM 0 HD12 LEU A 60 4.983 0.786 -11.099 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.618 0.015 -9.626 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.306 -2.658 -10.950 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.471 -2.492 -9.387 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.731 -3.446 -10.695 1.00 0.98 H new ATOM 893 N GLU A 61 2.945 -3.504 -12.613 1.00 0.39 N ATOM 894 CA GLU A 61 3.405 -4.784 -13.137 1.00 0.38 C ATOM 895 C GLU A 61 4.829 -5.050 -12.670 1.00 0.36 C ATOM 896 O GLU A 61 5.788 -4.537 -13.246 1.00 0.38 O ATOM 897 CB GLU A 61 3.348 -4.786 -14.665 1.00 0.44 C ATOM 898 CG GLU A 61 1.975 -4.462 -15.224 1.00 1.08 C ATOM 899 CD GLU A 61 1.932 -4.524 -16.737 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.198 -5.609 -17.295 1.00 1.39 O ATOM 901 OE2 GLU A 61 1.630 -3.489 -17.366 1.00 1.24 O ATOM 0 H GLU A 61 2.952 -2.744 -13.293 1.00 0.39 H new ATOM 0 HA GLU A 61 2.751 -5.572 -12.763 1.00 0.38 H new ATOM 0 HB2 GLU A 61 4.067 -4.061 -15.048 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.658 -5.765 -15.030 1.00 0.44 H new ATOM 0 HG2 GLU A 61 1.246 -5.161 -14.815 1.00 1.08 H new ATOM 0 HG3 GLU A 61 1.679 -3.465 -14.896 1.00 1.08 H new ATOM 908 N THR A 62 4.959 -5.837 -11.610 1.00 0.39 N ATOM 909 CA THR A 62 6.255 -6.150 -11.052 1.00 0.43 C ATOM 910 C THR A 62 6.882 -7.344 -11.753 1.00 0.39 C ATOM 911 O THR A 62 6.201 -8.303 -12.121 1.00 0.43 O ATOM 912 CB THR A 62 6.115 -6.443 -9.556 1.00 0.54 C ATOM 913 OG1 THR A 62 5.423 -7.662 -9.350 1.00 1.47 O ATOM 914 CG2 THR A 62 5.365 -5.364 -8.803 1.00 1.02 C ATOM 0 H THR A 62 4.175 -6.269 -11.122 1.00 0.39 H new ATOM 0 HA THR A 62 6.907 -5.289 -11.199 1.00 0.43 H new ATOM 0 HB THR A 62 7.135 -6.493 -9.174 1.00 0.54 H new ATOM 0 HG1 THR A 62 5.344 -7.835 -8.389 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.301 -5.633 -7.749 1.00 1.02 H new ATOM 0 HG22 THR A 62 5.893 -4.416 -8.904 1.00 1.02 H new ATOM 0 HG23 THR A 62 4.360 -5.265 -9.214 1.00 1.02 H new ATOM 922 N SER A 63 8.194 -7.285 -11.890 1.00 0.40 N ATOM 923 CA SER A 63 8.967 -8.360 -12.497 1.00 0.44 C ATOM 924 C SER A 63 9.895 -8.886 -11.429 1.00 0.44 C ATOM 925 O SER A 63 10.393 -10.010 -11.480 1.00 0.64 O ATOM 926 CB SER A 63 9.759 -7.856 -13.705 1.00 0.56 C ATOM 927 OG SER A 63 10.508 -8.901 -14.296 1.00 1.23 O ATOM 0 H SER A 63 8.757 -6.491 -11.584 1.00 0.40 H new ATOM 0 HA SER A 63 8.308 -9.147 -12.863 1.00 0.44 H new ATOM 0 HB2 SER A 63 9.075 -7.433 -14.441 1.00 0.56 H new ATOM 0 HB3 SER A 63 10.429 -7.054 -13.395 1.00 0.56 H new ATOM 0 HG SER A 63 11.004 -8.553 -15.066 1.00 1.23 H new ATOM 933 N LEU A 64 10.076 -8.027 -10.440 1.00 0.39 N ATOM 934 CA LEU A 64 10.885 -8.296 -9.280 1.00 0.38 C ATOM 935 C LEU A 64 9.967 -8.487 -8.086 1.00 0.35 C ATOM 936 O LEU A 64 9.508 -7.507 -7.498 1.00 0.39 O ATOM 937 CB LEU A 64 11.819 -7.117 -9.041 1.00 0.42 C ATOM 938 CG LEU A 64 11.212 -5.752 -9.383 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.700 -4.697 -8.405 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.579 -5.359 -10.807 1.00 0.84 C ATOM 0 H LEU A 64 9.650 -7.100 -10.429 1.00 0.39 H new ATOM 0 HA LEU A 64 11.481 -9.196 -9.428 1.00 0.38 H new ATOM 0 HB2 LEU A 64 12.122 -7.115 -7.994 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.723 -7.258 -9.634 1.00 0.42 H new ATOM 0 HG LEU A 64 10.127 -5.822 -9.305 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.260 -3.733 -8.661 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.404 -4.974 -7.393 1.00 0.78 H new ATOM 0 HD13 LEU A 64 12.786 -4.626 -8.458 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.143 -4.388 -11.040 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.663 -5.302 -10.901 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.194 -6.106 -11.501 1.00 0.84 H new ATOM 952 N ALA A 65 9.684 -9.744 -7.751 1.00 0.38 N ATOM 953 CA ALA A 65 8.798 -10.063 -6.636 1.00 0.42 C ATOM 954 C ALA A 65 8.947 -9.041 -5.516 1.00 0.39 C ATOM 955 O ALA A 65 10.048 -8.565 -5.265 1.00 0.38 O ATOM 956 CB ALA A 65 9.087 -11.463 -6.117 1.00 0.52 C ATOM 0 H ALA A 65 10.057 -10.559 -8.238 1.00 0.38 H new ATOM 0 HA ALA A 65 7.769 -10.027 -6.995 1.00 0.42 H new ATOM 0 HB1 ALA A 65 8.419 -11.688 -5.286 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.928 -12.187 -6.916 1.00 0.52 H new ATOM 0 HB3 ALA A 65 10.121 -11.519 -5.777 1.00 0.52 H new ATOM 962 N PRO A 66 7.837 -8.684 -4.840 1.00 0.44 N ATOM 963 CA PRO A 66 7.834 -7.710 -3.746 1.00 0.47 C ATOM 964 C PRO A 66 9.103 -7.725 -2.918 1.00 0.45 C ATOM 965 O PRO A 66 9.493 -6.709 -2.358 1.00 0.49 O ATOM 966 CB PRO A 66 6.648 -8.173 -2.928 1.00 0.55 C ATOM 967 CG PRO A 66 5.671 -8.564 -3.970 1.00 0.57 C ATOM 968 CD PRO A 66 6.475 -9.187 -5.089 1.00 0.50 C ATOM 0 HA PRO A 66 7.776 -6.682 -4.103 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.905 -9.010 -2.279 1.00 0.55 H new ATOM 0 HB3 PRO A 66 6.262 -7.380 -2.288 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.942 -9.271 -3.574 1.00 0.57 H new ATOM 0 HG3 PRO A 66 5.114 -7.697 -4.326 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.435 -10.276 -5.057 1.00 0.50 H new ATOM 0 HD3 PRO A 66 6.106 -8.883 -6.069 1.00 0.50 H new ATOM 976 N GLU A 67 9.761 -8.868 -2.861 1.00 0.45 N ATOM 977 CA GLU A 67 11.003 -8.967 -2.126 1.00 0.49 C ATOM 978 C GLU A 67 11.923 -7.835 -2.578 1.00 0.44 C ATOM 979 O GLU A 67 12.440 -7.074 -1.767 1.00 0.47 O ATOM 980 CB GLU A 67 11.645 -10.329 -2.380 1.00 0.52 C ATOM 981 CG GLU A 67 10.685 -11.486 -2.156 1.00 0.71 C ATOM 982 CD GLU A 67 11.289 -12.825 -2.531 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.658 -13.000 -3.712 1.00 1.20 O ATOM 984 OE2 GLU A 67 11.392 -13.700 -1.646 1.00 1.06 O ATOM 0 H GLU A 67 9.458 -9.732 -3.311 1.00 0.45 H new ATOM 0 HA GLU A 67 10.822 -8.876 -1.055 1.00 0.49 H new ATOM 0 HB2 GLU A 67 12.016 -10.365 -3.404 1.00 0.52 H new ATOM 0 HB3 GLU A 67 12.507 -10.447 -1.724 1.00 0.52 H new ATOM 0 HG2 GLU A 67 10.386 -11.507 -1.108 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.781 -11.322 -2.743 1.00 0.71 H new ATOM 991 N GLU A 68 12.082 -7.718 -3.893 1.00 0.40 N ATOM 992 CA GLU A 68 12.901 -6.673 -4.499 1.00 0.39 C ATOM 993 C GLU A 68 12.113 -5.378 -4.644 1.00 0.35 C ATOM 994 O GLU A 68 12.572 -4.311 -4.240 1.00 0.40 O ATOM 995 CB GLU A 68 13.372 -7.126 -5.873 1.00 0.41 C ATOM 996 CG GLU A 68 14.161 -8.414 -5.835 1.00 0.97 C ATOM 997 CD GLU A 68 15.443 -8.293 -5.036 1.00 1.52 C ATOM 998 OE1 GLU A 68 16.293 -7.455 -5.403 1.00 1.90 O ATOM 999 OE2 GLU A 68 15.598 -9.036 -4.045 1.00 2.06 O ATOM 0 H GLU A 68 11.646 -8.345 -4.569 1.00 0.40 H new ATOM 0 HA GLU A 68 13.757 -6.491 -3.850 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.506 -7.256 -6.522 1.00 0.41 H new ATOM 0 HB3 GLU A 68 13.988 -6.343 -6.316 1.00 0.41 H new ATOM 0 HG2 GLU A 68 13.542 -9.201 -5.404 1.00 0.97 H new ATOM 0 HG3 GLU A 68 14.400 -8.718 -6.854 1.00 0.97 H new ATOM 1006 N LEU A 69 10.923 -5.484 -5.230 1.00 0.32 N ATOM 1007 CA LEU A 69 10.058 -4.329 -5.432 1.00 0.33 C ATOM 1008 C LEU A 69 9.972 -3.494 -4.158 1.00 0.34 C ATOM 1009 O LEU A 69 10.001 -2.265 -4.204 1.00 0.44 O ATOM 1010 CB LEU A 69 8.670 -4.797 -5.866 1.00 0.38 C ATOM 1011 CG LEU A 69 7.509 -3.877 -5.471 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.515 -2.615 -6.318 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.174 -4.603 -5.585 1.00 0.67 C ATOM 0 H LEU A 69 10.536 -6.363 -5.574 1.00 0.32 H new ATOM 0 HA LEU A 69 10.480 -3.701 -6.217 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.667 -4.912 -6.950 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.489 -5.784 -5.441 1.00 0.38 H new ATOM 0 HG LEU A 69 7.644 -3.589 -4.429 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.684 -1.975 -6.023 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.454 -2.082 -6.170 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.412 -2.882 -7.370 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.367 -3.928 -5.299 1.00 0.67 H new ATOM 0 HD22 LEU A 69 6.025 -4.931 -6.614 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.173 -5.470 -4.924 1.00 0.67 H new ATOM 1025 N LEU A 70 9.894 -4.176 -3.020 1.00 0.39 N ATOM 1026 CA LEU A 70 9.838 -3.501 -1.733 1.00 0.47 C ATOM 1027 C LEU A 70 11.205 -2.933 -1.394 1.00 0.44 C ATOM 1028 O LEU A 70 11.307 -1.832 -0.859 1.00 0.47 O ATOM 1029 CB LEU A 70 9.346 -4.444 -0.630 1.00 0.62 C ATOM 1030 CG LEU A 70 7.822 -4.545 -0.489 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.176 -4.958 -1.801 1.00 1.48 C ATOM 1032 CD2 LEU A 70 7.456 -5.526 0.616 1.00 1.65 C ATOM 0 H LEU A 70 9.868 -5.194 -2.965 1.00 0.39 H new ATOM 0 HA LEU A 70 9.121 -2.682 -1.800 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.744 -5.440 -0.822 1.00 0.62 H new ATOM 0 HB3 LEU A 70 9.762 -4.112 0.322 1.00 0.62 H new ATOM 0 HG LEU A 70 7.442 -3.559 -0.223 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.096 -5.021 -1.671 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.406 -4.219 -2.568 1.00 1.48 H new ATOM 0 HD13 LEU A 70 7.562 -5.930 -2.106 1.00 1.48 H new ATOM 0 HD21 LEU A 70 6.371 -5.587 0.704 1.00 1.65 H new ATOM 0 HD22 LEU A 70 7.856 -6.511 0.375 1.00 1.65 H new ATOM 0 HD23 LEU A 70 7.878 -5.184 1.561 1.00 1.65 H new ATOM 1044 N ASN A 71 12.264 -3.677 -1.735 1.00 0.46 N ATOM 1045 CA ASN A 71 13.621 -3.202 -1.487 1.00 0.50 C ATOM 1046 C ASN A 71 13.760 -1.761 -1.959 1.00 0.41 C ATOM 1047 O ASN A 71 14.299 -0.921 -1.248 1.00 0.44 O ATOM 1048 CB ASN A 71 14.668 -4.067 -2.205 1.00 0.59 C ATOM 1049 CG ASN A 71 14.917 -5.401 -1.525 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.049 -5.768 -0.597 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 15.872 -6.106 -1.854 1.00 0.72 N flip ATOM 0 H ASN A 71 12.205 -4.595 -2.176 1.00 0.46 H new ATOM 0 HA ASN A 71 13.799 -3.267 -0.414 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.341 -4.245 -3.229 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.607 -3.516 -2.262 1.00 0.59 H new ATOM 0 HD21 ASN A 71 16.518 -5.785 -2.575 1.00 0.72 H new ATOM 0 HD22 ASN A 71 16.016 -7.011 -1.406 1.00 0.72 H new ATOM 1058 N HIS A 72 13.266 -1.488 -3.170 1.00 0.37 N ATOM 1059 CA HIS A 72 13.334 -0.149 -3.752 1.00 0.35 C ATOM 1060 C HIS A 72 12.341 0.816 -3.104 1.00 0.32 C ATOM 1061 O HIS A 72 12.708 1.934 -2.746 1.00 0.35 O ATOM 1062 CB HIS A 72 13.085 -0.221 -5.256 1.00 0.39 C ATOM 1063 CG HIS A 72 14.137 -0.992 -5.989 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.400 -0.500 -6.237 1.00 1.07 N ATOM 1065 CD2 HIS A 72 14.113 -2.240 -6.505 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.107 -1.412 -6.879 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.349 -2.479 -7.054 1.00 1.11 N ATOM 0 H HIS A 72 12.814 -2.181 -3.766 1.00 0.37 H new ATOM 0 HA HIS A 72 14.335 0.238 -3.562 1.00 0.35 H new ATOM 0 HB2 HIS A 72 12.114 -0.682 -5.436 1.00 0.39 H new ATOM 0 HB3 HIS A 72 13.037 0.791 -5.659 1.00 0.39 H new ATOM 0 HD2 HIS A 72 13.277 -2.923 -6.489 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.131 -1.304 -7.205 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.635 -3.340 -7.521 1.00 1.11 H new ATOM 1076 N THR A 73 11.084 0.399 -2.962 1.00 0.34 N ATOM 1077 CA THR A 73 10.077 1.274 -2.356 1.00 0.38 C ATOM 1078 C THR A 73 10.536 1.745 -0.975 1.00 0.36 C ATOM 1079 O THR A 73 10.642 2.945 -0.718 1.00 0.36 O ATOM 1080 CB THR A 73 8.737 0.549 -2.246 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.876 -0.646 -1.504 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.136 0.193 -3.588 1.00 0.61 C ATOM 0 H THR A 73 10.742 -0.518 -3.250 1.00 0.34 H new ATOM 0 HA THR A 73 9.951 2.147 -2.997 1.00 0.38 H new ATOM 0 HB THR A 73 8.069 1.249 -1.745 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.822 -0.897 -1.462 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.186 -0.319 -3.437 1.00 0.61 H new ATOM 0 HG22 THR A 73 7.970 1.103 -4.165 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.819 -0.461 -4.130 1.00 0.61 H new ATOM 1090 N GLN A 74 10.819 0.787 -0.103 1.00 0.39 N ATOM 1091 CA GLN A 74 11.284 1.070 1.245 1.00 0.42 C ATOM 1092 C GLN A 74 12.637 1.771 1.200 1.00 0.41 C ATOM 1093 O GLN A 74 12.995 2.520 2.110 1.00 0.50 O ATOM 1094 CB GLN A 74 11.399 -0.232 2.042 1.00 0.49 C ATOM 1095 CG GLN A 74 10.130 -1.066 2.030 1.00 1.45 C ATOM 1096 CD GLN A 74 10.247 -2.344 2.844 1.00 1.87 C ATOM 1097 OE1 GLN A 74 11.408 -2.568 3.453 1.00 2.25 O flip ATOM 1098 NE2 GLN A 74 9.300 -3.127 2.924 1.00 2.54 N flip ATOM 0 H GLN A 74 10.732 -0.208 -0.312 1.00 0.39 H new ATOM 0 HA GLN A 74 10.564 1.726 1.734 1.00 0.42 H new ATOM 0 HB2 GLN A 74 12.218 -0.826 1.636 1.00 0.49 H new ATOM 0 HB3 GLN A 74 11.658 0.005 3.074 1.00 0.49 H new ATOM 0 HG2 GLN A 74 9.306 -0.468 2.420 1.00 1.45 H new ATOM 0 HG3 GLN A 74 9.880 -1.320 1.000 1.00 1.45 H new ATOM 0 HE21 GLN A 74 8.425 -2.920 2.442 1.00 2.54 H new ATOM 0 HE22 GLN A 74 9.391 -3.983 3.472 1.00 2.54 H new ATOM 1107 N ARG A 75 13.378 1.523 0.124 1.00 0.37 N ATOM 1108 CA ARG A 75 14.690 2.131 -0.066 1.00 0.41 C ATOM 1109 C ARG A 75 14.568 3.643 -0.015 1.00 0.39 C ATOM 1110 O ARG A 75 15.486 4.344 0.413 1.00 0.43 O ATOM 1111 CB ARG A 75 15.263 1.703 -1.423 1.00 0.48 C ATOM 1112 CG ARG A 75 16.656 2.223 -1.720 1.00 0.89 C ATOM 1113 CD ARG A 75 17.067 1.883 -3.146 1.00 0.88 C ATOM 1114 NE ARG A 75 18.461 2.224 -3.413 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.057 2.026 -4.585 1.00 2.26 C ATOM 1116 NH1 ARG A 75 18.383 1.488 -5.594 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.327 2.367 -4.751 1.00 3.06 N ATOM 0 H ARG A 75 13.090 0.902 -0.632 1.00 0.37 H new ATOM 0 HA ARG A 75 15.359 1.800 0.729 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.280 0.614 -1.467 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.589 2.043 -2.209 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.684 3.303 -1.576 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.368 1.789 -1.018 1.00 0.89 H new ATOM 0 HD2 ARG A 75 16.915 0.818 -3.322 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.424 2.417 -3.845 1.00 0.88 H new ATOM 0 HE ARG A 75 19.009 2.637 -2.658 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.405 1.225 -5.472 1.00 2.72 H new ATOM 0 HH12 ARG A 75 18.843 1.337 -6.492 1.00 2.72 H new ATOM 0 HH21 ARG A 75 20.849 2.782 -3.979 1.00 3.06 H new ATOM 0 HH22 ARG A 75 20.783 2.214 -5.651 1.00 3.06 H new ATOM 1131 N ILE A 76 13.422 4.136 -0.467 1.00 0.38 N ATOM 1132 CA ILE A 76 13.163 5.564 -0.494 1.00 0.41 C ATOM 1133 C ILE A 76 12.692 6.076 0.866 1.00 0.42 C ATOM 1134 O ILE A 76 13.313 6.961 1.443 1.00 0.44 O ATOM 1135 CB ILE A 76 12.120 5.929 -1.563 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.139 4.918 -2.714 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.396 7.323 -2.090 1.00 0.50 C ATOM 1138 CD1 ILE A 76 13.461 4.851 -3.453 1.00 0.83 C ATOM 0 H ILE A 76 12.656 3.563 -0.821 1.00 0.38 H new ATOM 0 HA ILE A 76 14.109 6.045 -0.744 1.00 0.41 H new ATOM 0 HB ILE A 76 11.131 5.904 -1.106 1.00 0.45 H new ATOM 0 HG12 ILE A 76 11.904 3.929 -2.320 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.351 5.174 -3.422 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.655 7.579 -2.848 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.340 8.040 -1.271 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.392 7.354 -2.531 1.00 0.50 H new ATOM 0 HD11 ILE A 76 13.394 4.113 -4.252 1.00 0.83 H new ATOM 0 HD12 ILE A 76 13.690 5.828 -3.879 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.251 4.564 -2.760 1.00 0.83 H new ATOM 1150 N GLU A 77 11.599 5.526 1.383 1.00 0.44 N ATOM 1151 CA GLU A 77 11.085 5.966 2.678 1.00 0.47 C ATOM 1152 C GLU A 77 12.175 5.940 3.748 1.00 0.48 C ATOM 1153 O GLU A 77 12.073 6.622 4.767 1.00 0.54 O ATOM 1154 CB GLU A 77 9.893 5.116 3.125 1.00 0.50 C ATOM 1155 CG GLU A 77 10.102 3.614 3.059 1.00 0.66 C ATOM 1156 CD GLU A 77 10.983 3.070 4.174 1.00 0.97 C ATOM 1157 OE1 GLU A 77 11.334 3.848 5.084 1.00 1.43 O ATOM 1158 OE2 GLU A 77 11.343 1.877 4.128 1.00 1.32 O ATOM 0 H GLU A 77 11.058 4.786 0.935 1.00 0.44 H new ATOM 0 HA GLU A 77 10.747 6.995 2.553 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.641 5.386 4.150 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.033 5.373 2.507 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.132 3.119 3.100 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.549 3.360 2.098 1.00 0.66 H new ATOM 1165 N LEU A 78 13.210 5.138 3.515 1.00 0.45 N ATOM 1166 CA LEU A 78 14.308 5.007 4.468 1.00 0.49 C ATOM 1167 C LEU A 78 15.286 6.179 4.394 1.00 0.49 C ATOM 1168 O LEU A 78 15.553 6.832 5.401 1.00 0.59 O ATOM 1169 CB LEU A 78 15.061 3.696 4.232 1.00 0.53 C ATOM 1170 CG LEU A 78 16.228 3.436 5.189 1.00 0.88 C ATOM 1171 CD1 LEU A 78 15.730 3.308 6.622 1.00 1.66 C ATOM 1172 CD2 LEU A 78 16.990 2.187 4.772 1.00 1.52 C ATOM 0 H LEU A 78 13.311 4.569 2.675 1.00 0.45 H new ATOM 0 HA LEU A 78 13.866 5.007 5.464 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.355 2.870 4.312 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.441 3.692 3.210 1.00 0.53 H new ATOM 0 HG LEU A 78 16.908 4.286 5.140 1.00 0.88 H new ATOM 0 HD11 LEU A 78 16.575 3.124 7.286 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.231 4.231 6.918 1.00 1.66 H new ATOM 0 HD13 LEU A 78 15.027 2.478 6.690 1.00 1.66 H new ATOM 0 HD21 LEU A 78 17.816 2.017 5.463 1.00 1.52 H new ATOM 0 HD22 LEU A 78 16.319 1.328 4.790 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.382 2.320 3.764 1.00 1.52 H new ATOM 1184 N GLN A 79 15.844 6.429 3.211 1.00 0.47 N ATOM 1185 CA GLN A 79 16.818 7.511 3.052 1.00 0.52 C ATOM 1186 C GLN A 79 16.195 8.776 2.464 1.00 0.53 C ATOM 1187 O GLN A 79 16.594 9.885 2.820 1.00 0.72 O ATOM 1188 CB GLN A 79 17.983 7.045 2.178 1.00 0.63 C ATOM 1189 CG GLN A 79 17.556 6.555 0.803 1.00 1.12 C ATOM 1190 CD GLN A 79 18.730 6.105 -0.044 1.00 1.67 C ATOM 1191 OE1 GLN A 79 19.629 6.889 -0.346 1.00 2.24 O ATOM 1192 NE2 GLN A 79 18.727 4.833 -0.429 1.00 2.32 N ATOM 0 H GLN A 79 15.643 5.906 2.358 1.00 0.47 H new ATOM 0 HA GLN A 79 17.183 7.764 4.047 1.00 0.52 H new ATOM 0 HB2 GLN A 79 18.688 7.868 2.058 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.513 6.243 2.692 1.00 0.63 H new ATOM 0 HG2 GLN A 79 16.856 5.727 0.917 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.024 7.353 0.286 1.00 1.12 H new ATOM 0 HE21 GLN A 79 17.960 4.219 -0.155 1.00 2.32 H new ATOM 0 HE22 GLN A 79 19.492 4.471 -0.999 1.00 2.32 H new ATOM 1201 N GLN A 80 15.224 8.619 1.571 1.00 0.61 N ATOM 1202 CA GLN A 80 14.571 9.775 0.962 1.00 0.72 C ATOM 1203 C GLN A 80 13.864 10.585 2.030 1.00 0.88 C ATOM 1204 O GLN A 80 14.259 11.711 2.334 1.00 1.15 O ATOM 1205 CB GLN A 80 13.561 9.346 -0.096 1.00 0.74 C ATOM 1206 CG GLN A 80 12.915 10.512 -0.833 1.00 1.27 C ATOM 1207 CD GLN A 80 13.892 11.301 -1.692 1.00 1.51 C ATOM 1208 OE1 GLN A 80 15.133 10.827 -1.789 1.00 2.00 O flip ATOM 1209 NE2 GLN A 80 13.530 12.323 -2.276 1.00 2.07 N flip ATOM 0 H GLN A 80 14.874 7.715 1.255 1.00 0.61 H new ATOM 0 HA GLN A 80 15.339 10.381 0.481 1.00 0.72 H new ATOM 0 HB2 GLN A 80 14.058 8.701 -0.820 1.00 0.74 H new ATOM 0 HB3 GLN A 80 12.781 8.751 0.379 1.00 0.74 H new ATOM 0 HG2 GLN A 80 12.112 10.132 -1.465 1.00 1.27 H new ATOM 0 HG3 GLN A 80 12.458 11.183 -0.106 1.00 1.27 H new ATOM 0 HE21 GLN A 80 12.570 12.654 -2.177 1.00 2.07 H new ATOM 0 HE22 GLN A 80 14.190 12.838 -2.859 1.00 2.07 H new ATOM 1218 N GLY A 81 12.828 9.996 2.614 1.00 0.99 N ATOM 1219 CA GLY A 81 12.100 10.668 3.659 1.00 1.25 C ATOM 1220 C GLY A 81 12.822 10.576 4.985 1.00 1.79 C ATOM 1221 O GLY A 81 12.207 10.679 6.044 1.00 2.18 O ATOM 0 H GLY A 81 12.483 9.065 2.379 1.00 0.99 H new ATOM 0 HA2 GLY A 81 11.961 11.715 3.391 1.00 1.25 H new ATOM 0 HA3 GLY A 81 11.107 10.228 3.753 1.00 1.25 H new ATOM 1225 N ARG A 82 14.138 10.369 4.917 1.00 2.09 N ATOM 1226 CA ARG A 82 14.970 10.249 6.108 1.00 2.89 C ATOM 1227 C ARG A 82 14.571 9.026 6.925 1.00 2.71 C ATOM 1228 O ARG A 82 13.413 8.607 6.916 1.00 3.22 O ATOM 1229 CB ARG A 82 14.866 11.509 6.965 1.00 3.76 C ATOM 1230 CG ARG A 82 15.296 12.778 6.248 1.00 4.75 C ATOM 1231 CD ARG A 82 15.068 14.004 7.114 1.00 5.59 C ATOM 1232 NE ARG A 82 15.461 15.236 6.439 1.00 6.37 N ATOM 1233 CZ ARG A 82 15.327 16.445 6.975 1.00 7.14 C ATOM 1234 NH1 ARG A 82 14.809 16.581 8.188 1.00 7.29 N ATOM 1235 NH2 ARG A 82 15.714 17.517 6.300 1.00 8.02 N ATOM 0 H ARG A 82 14.651 10.281 4.040 1.00 2.09 H new ATOM 0 HA ARG A 82 16.004 10.129 5.786 1.00 2.89 H new ATOM 0 HB2 ARG A 82 13.835 11.624 7.301 1.00 3.76 H new ATOM 0 HB3 ARG A 82 15.479 11.382 7.857 1.00 3.76 H new ATOM 0 HG2 ARG A 82 16.351 12.709 5.982 1.00 4.75 H new ATOM 0 HG3 ARG A 82 14.739 12.879 5.317 1.00 4.75 H new ATOM 0 HD2 ARG A 82 14.015 14.062 7.388 1.00 5.59 H new ATOM 0 HD3 ARG A 82 15.634 13.903 8.040 1.00 5.59 H new ATOM 0 HE ARG A 82 15.861 15.166 5.503 1.00 6.37 H new ATOM 0 HH11 ARG A 82 14.513 15.757 8.711 1.00 7.29 H new ATOM 0 HH12 ARG A 82 14.707 17.509 8.598 1.00 7.29 H new ATOM 0 HH21 ARG A 82 16.115 17.415 5.368 1.00 8.02 H new ATOM 0 HH22 ARG A 82 15.611 18.444 6.712 1.00 8.02 H new ATOM 1249 N VAL A 83 15.537 8.453 7.634 1.00 2.65 N ATOM 1250 CA VAL A 83 15.286 7.277 8.456 1.00 2.95 C ATOM 1251 C VAL A 83 14.200 7.566 9.491 1.00 2.78 C ATOM 1252 O VAL A 83 13.628 6.648 10.082 1.00 3.48 O ATOM 1253 CB VAL A 83 16.569 6.815 9.177 1.00 3.70 C ATOM 1254 CG1 VAL A 83 16.330 5.516 9.932 1.00 4.50 C ATOM 1255 CG2 VAL A 83 17.710 6.656 8.183 1.00 4.33 C ATOM 0 H VAL A 83 16.501 8.785 7.656 1.00 2.65 H new ATOM 0 HA VAL A 83 14.951 6.480 7.792 1.00 2.95 H new ATOM 0 HB VAL A 83 16.847 7.580 9.902 1.00 3.70 H new ATOM 0 HG11 VAL A 83 17.249 5.211 10.432 1.00 4.50 H new ATOM 0 HG12 VAL A 83 15.546 5.666 10.674 1.00 4.50 H new ATOM 0 HG13 VAL A 83 16.023 4.739 9.232 1.00 4.50 H new ATOM 0 HG21 VAL A 83 18.607 6.330 8.708 1.00 4.33 H new ATOM 0 HG22 VAL A 83 17.438 5.913 7.433 1.00 4.33 H new ATOM 0 HG23 VAL A 83 17.903 7.611 7.695 1.00 4.33 H new ATOM 1265 N ARG A 84 13.920 8.850 9.700 1.00 2.54 N ATOM 1266 CA ARG A 84 12.902 9.266 10.664 1.00 3.37 C ATOM 1267 C ARG A 84 12.137 10.498 10.178 1.00 3.75 C ATOM 1268 O ARG A 84 11.081 10.829 10.716 1.00 4.35 O ATOM 1269 CB ARG A 84 13.549 9.573 12.018 1.00 3.92 C ATOM 1270 CG ARG A 84 14.238 8.381 12.662 1.00 4.19 C ATOM 1271 CD ARG A 84 13.249 7.275 13.001 1.00 5.23 C ATOM 1272 NE ARG A 84 13.893 6.144 13.664 1.00 5.75 N ATOM 1273 CZ ARG A 84 14.480 6.223 14.856 1.00 6.40 C ATOM 1274 NH1 ARG A 84 14.484 7.369 15.525 1.00 6.67 N ATOM 1275 NH2 ARG A 84 15.058 5.154 15.384 1.00 7.08 N ATOM 0 H ARG A 84 14.382 9.620 9.216 1.00 2.54 H new ATOM 0 HA ARG A 84 12.196 8.442 10.770 1.00 3.37 H new ATOM 0 HB2 ARG A 84 14.278 10.373 11.887 1.00 3.92 H new ATOM 0 HB3 ARG A 84 12.783 9.947 12.698 1.00 3.92 H new ATOM 0 HG2 ARG A 84 15.001 7.993 11.987 1.00 4.19 H new ATOM 0 HG3 ARG A 84 14.749 8.703 13.569 1.00 4.19 H new ATOM 0 HD2 ARG A 84 12.466 7.675 13.646 1.00 5.23 H new ATOM 0 HD3 ARG A 84 12.764 6.931 12.087 1.00 5.23 H new ATOM 0 HE ARG A 84 13.893 5.243 13.187 1.00 5.75 H new ATOM 0 HH11 ARG A 84 14.036 8.194 15.126 1.00 6.67 H new ATOM 0 HH12 ARG A 84 14.935 7.425 16.438 1.00 6.67 H new ATOM 0 HH21 ARG A 84 15.054 4.269 14.877 1.00 7.08 H new ATOM 0 HH22 ARG A 84 15.507 5.216 16.298 1.00 7.08 H new ATOM 1289 N LYS A 85 12.685 11.177 9.175 1.00 4.00 N ATOM 1290 CA LYS A 85 12.063 12.385 8.626 1.00 4.93 C ATOM 1291 C LYS A 85 11.980 13.460 9.706 1.00 5.06 C ATOM 1292 O LYS A 85 10.931 14.069 9.917 1.00 5.81 O ATOM 1293 CB LYS A 85 10.664 12.074 8.074 1.00 5.72 C ATOM 1294 CG LYS A 85 10.261 12.931 6.877 1.00 6.56 C ATOM 1295 CD LYS A 85 10.200 14.413 7.218 1.00 7.22 C ATOM 1296 CE LYS A 85 9.791 15.248 6.016 1.00 8.23 C ATOM 1297 NZ LYS A 85 9.747 16.701 6.337 1.00 8.70 N ATOM 0 H LYS A 85 13.560 10.913 8.723 1.00 4.00 H new ATOM 0 HA LYS A 85 12.678 12.752 7.804 1.00 4.93 H new ATOM 0 HB2 LYS A 85 10.625 11.024 7.785 1.00 5.72 H new ATOM 0 HB3 LYS A 85 9.932 12.213 8.870 1.00 5.72 H new ATOM 0 HG2 LYS A 85 10.974 12.777 6.067 1.00 6.56 H new ATOM 0 HG3 LYS A 85 9.287 12.605 6.512 1.00 6.56 H new ATOM 0 HD2 LYS A 85 9.490 14.571 8.030 1.00 7.22 H new ATOM 0 HD3 LYS A 85 11.174 14.745 7.577 1.00 7.22 H new ATOM 0 HE2 LYS A 85 10.493 15.078 5.200 1.00 8.23 H new ATOM 0 HE3 LYS A 85 8.811 14.924 5.666 1.00 8.23 H new ATOM 0 HZ1 LYS A 85 9.464 17.235 5.491 1.00 8.70 H new ATOM 0 HZ2 LYS A 85 9.058 16.868 7.098 1.00 8.70 H new ATOM 0 HZ3 LYS A 85 10.688 17.017 6.647 1.00 8.70 H new ATOM 1311 N ALA A 86 13.096 13.674 10.402 1.00 4.58 N ATOM 1312 CA ALA A 86 13.157 14.662 11.473 1.00 4.96 C ATOM 1313 C ALA A 86 12.046 14.434 12.496 1.00 4.23 C ATOM 1314 O ALA A 86 11.754 15.305 13.314 1.00 4.67 O ATOM 1315 CB ALA A 86 13.070 16.070 10.900 1.00 5.68 C ATOM 0 H ALA A 86 13.971 13.174 10.241 1.00 4.58 H new ATOM 0 HA ALA A 86 14.113 14.549 11.983 1.00 4.96 H new ATOM 0 HB1 ALA A 86 13.117 16.796 11.711 1.00 5.68 H new ATOM 0 HB2 ALA A 86 13.902 16.236 10.216 1.00 5.68 H new ATOM 0 HB3 ALA A 86 12.129 16.187 10.362 1.00 5.68 H new ATOM 1321 N GLU A 87 11.429 13.257 12.433 1.00 3.27 N ATOM 1322 CA GLU A 87 10.345 12.909 13.345 1.00 2.78 C ATOM 1323 C GLU A 87 10.863 11.974 14.442 1.00 2.78 C ATOM 1324 O GLU A 87 11.445 12.436 15.426 1.00 3.47 O ATOM 1325 CB GLU A 87 9.201 12.262 12.553 1.00 2.42 C ATOM 1326 CG GLU A 87 7.831 12.406 13.197 1.00 3.19 C ATOM 1327 CD GLU A 87 7.670 11.565 14.443 1.00 3.92 C ATOM 1328 OE1 GLU A 87 7.805 10.327 14.344 1.00 4.37 O ATOM 1329 OE2 GLU A 87 7.419 12.144 15.521 1.00 4.46 O ATOM 0 H GLU A 87 11.662 12.528 11.759 1.00 3.27 H new ATOM 0 HA GLU A 87 9.964 13.809 13.827 1.00 2.78 H new ATOM 0 HB2 GLU A 87 9.169 12.704 11.557 1.00 2.42 H new ATOM 0 HB3 GLU A 87 9.419 11.202 12.424 1.00 2.42 H new ATOM 0 HG2 GLU A 87 7.663 13.453 13.448 1.00 3.19 H new ATOM 0 HG3 GLU A 87 7.065 12.125 12.474 1.00 3.19 H new ATOM 1336 N ARG A 88 10.674 10.665 14.254 1.00 2.49 N ATOM 1337 CA ARG A 88 11.142 9.659 15.213 1.00 2.70 C ATOM 1338 C ARG A 88 10.586 8.279 14.868 1.00 2.60 C ATOM 1339 O ARG A 88 10.130 8.046 13.749 1.00 3.18 O ATOM 1340 CB ARG A 88 10.760 10.023 16.657 1.00 3.45 C ATOM 1341 CG ARG A 88 9.264 10.150 16.892 1.00 4.14 C ATOM 1342 CD ARG A 88 8.943 10.259 18.375 1.00 4.97 C ATOM 1343 NE ARG A 88 9.664 11.352 19.022 1.00 5.51 N ATOM 1344 CZ ARG A 88 9.471 12.638 18.745 1.00 6.30 C ATOM 1345 NH1 ARG A 88 8.561 13.000 17.851 1.00 6.63 N ATOM 1346 NH2 ARG A 88 10.184 13.564 19.370 1.00 7.05 N ATOM 0 H ARG A 88 10.197 10.275 13.441 1.00 2.49 H new ATOM 0 HA ARG A 88 12.230 9.637 15.144 1.00 2.70 H new ATOM 0 HB2 ARG A 88 11.159 9.263 17.329 1.00 3.45 H new ATOM 0 HB3 ARG A 88 11.239 10.966 16.921 1.00 3.45 H new ATOM 0 HG2 ARG A 88 8.885 11.029 16.371 1.00 4.14 H new ATOM 0 HG3 ARG A 88 8.753 9.285 16.470 1.00 4.14 H new ATOM 0 HD2 ARG A 88 7.871 10.409 18.502 1.00 4.97 H new ATOM 0 HD3 ARG A 88 9.194 9.320 18.868 1.00 4.97 H new ATOM 0 HE ARG A 88 10.359 11.114 19.730 1.00 5.51 H new ATOM 0 HH11 ARG A 88 8.006 12.291 17.373 1.00 6.63 H new ATOM 0 HH12 ARG A 88 8.416 13.988 17.642 1.00 6.63 H new ATOM 0 HH21 ARG A 88 10.880 13.290 20.063 1.00 7.05 H new ATOM 0 HH22 ARG A 88 10.036 14.551 19.158 1.00 7.05 H new ATOM 1360 N TRP A 89 10.632 7.370 15.837 1.00 2.49 N ATOM 1361 CA TRP A 89 10.139 6.011 15.644 1.00 2.93 C ATOM 1362 C TRP A 89 8.622 5.937 15.816 1.00 2.93 C ATOM 1363 O TRP A 89 8.105 5.047 16.493 1.00 3.71 O ATOM 1364 CB TRP A 89 10.834 5.055 16.621 1.00 3.69 C ATOM 1365 CG TRP A 89 10.853 5.545 18.042 1.00 4.09 C ATOM 1366 CD1 TRP A 89 9.842 6.173 18.715 1.00 4.50 C ATOM 1367 CD2 TRP A 89 11.943 5.443 18.966 1.00 4.70 C ATOM 1368 NE1 TRP A 89 10.239 6.469 19.995 1.00 5.25 N ATOM 1369 CE2 TRP A 89 11.523 6.030 20.175 1.00 5.32 C ATOM 1370 CE3 TRP A 89 13.233 4.911 18.888 1.00 5.16 C ATOM 1371 CZ2 TRP A 89 12.348 6.100 21.294 1.00 6.18 C ATOM 1372 CZ3 TRP A 89 14.051 4.981 20.002 1.00 6.02 C ATOM 1373 CH2 TRP A 89 13.605 5.572 21.190 1.00 6.44 C ATOM 0 H TRP A 89 11.008 7.552 16.768 1.00 2.49 H new ATOM 0 HA TRP A 89 10.372 5.710 14.623 1.00 2.93 H new ATOM 0 HB2 TRP A 89 10.332 4.088 16.587 1.00 3.69 H new ATOM 0 HB3 TRP A 89 11.860 4.894 16.289 1.00 3.69 H new ATOM 0 HD1 TRP A 89 8.872 6.403 18.300 1.00 4.50 H new ATOM 0 HE1 TRP A 89 9.670 6.940 20.698 1.00 5.25 H new ATOM 0 HE3 TRP A 89 13.585 4.454 17.975 1.00 5.16 H new ATOM 0 HZ2 TRP A 89 12.007 6.555 22.212 1.00 6.18 H new ATOM 0 HZ3 TRP A 89 15.050 4.573 19.954 1.00 6.02 H new ATOM 0 HH2 TRP A 89 14.267 5.612 22.042 1.00 6.44 H new ATOM 1384 N GLY A 90 7.912 6.875 15.194 1.00 2.39 N ATOM 1385 CA GLY A 90 6.463 6.896 15.288 1.00 2.51 C ATOM 1386 C GLY A 90 5.795 7.098 13.937 1.00 2.11 C ATOM 1387 O GLY A 90 6.050 6.343 13.001 1.00 2.15 O ATOM 0 H GLY A 90 8.315 7.621 14.627 1.00 2.39 H new ATOM 0 HA2 GLY A 90 6.117 5.959 15.724 1.00 2.51 H new ATOM 0 HA3 GLY A 90 6.157 7.695 15.964 1.00 2.51 H new ATOM 1391 N PRO A 91 4.926 8.115 13.804 1.00 1.87 N ATOM 1392 CA PRO A 91 4.226 8.402 12.549 1.00 1.71 C ATOM 1393 C PRO A 91 5.140 9.056 11.519 1.00 1.71 C ATOM 1394 O PRO A 91 5.502 10.221 11.670 1.00 2.14 O ATOM 1395 CB PRO A 91 3.119 9.389 12.960 1.00 1.86 C ATOM 1396 CG PRO A 91 3.155 9.447 14.455 1.00 2.00 C ATOM 1397 CD PRO A 91 4.549 9.067 14.855 1.00 1.98 C ATOM 0 HA PRO A 91 3.853 7.490 12.082 1.00 1.71 H new ATOM 0 HB2 PRO A 91 3.293 10.374 12.527 1.00 1.86 H new ATOM 0 HB3 PRO A 91 2.145 9.053 12.606 1.00 1.86 H new ATOM 0 HG2 PRO A 91 2.906 10.446 14.812 1.00 2.00 H new ATOM 0 HG3 PRO A 91 2.425 8.763 14.889 1.00 2.00 H new ATOM 0 HD2 PRO A 91 5.215 9.930 14.880 1.00 1.98 H new ATOM 0 HD3 PRO A 91 4.579 8.613 15.845 1.00 1.98 H new ATOM 1405 N ARG A 92 5.505 8.308 10.470 1.00 2.00 N ATOM 1406 CA ARG A 92 6.370 8.841 9.413 1.00 2.09 C ATOM 1407 C ARG A 92 6.764 7.752 8.418 1.00 1.39 C ATOM 1408 O ARG A 92 6.396 6.591 8.578 1.00 1.88 O ATOM 1409 CB ARG A 92 7.638 9.472 10.014 1.00 3.24 C ATOM 1410 CG ARG A 92 8.805 8.506 10.200 1.00 4.14 C ATOM 1411 CD ARG A 92 8.453 7.328 11.098 1.00 4.91 C ATOM 1412 NE ARG A 92 9.588 6.421 11.260 1.00 5.90 N ATOM 1413 CZ ARG A 92 9.535 5.270 11.925 1.00 6.64 C ATOM 1414 NH1 ARG A 92 8.398 4.865 12.471 1.00 6.67 N ATOM 1415 NH2 ARG A 92 10.621 4.516 12.036 1.00 7.60 N ATOM 0 H ARG A 92 5.217 7.339 10.332 1.00 2.00 H new ATOM 0 HA ARG A 92 5.804 9.608 8.884 1.00 2.09 H new ATOM 0 HB2 ARG A 92 7.960 10.290 9.370 1.00 3.24 H new ATOM 0 HB3 ARG A 92 7.387 9.908 10.981 1.00 3.24 H new ATOM 0 HG2 ARG A 92 9.122 8.133 9.226 1.00 4.14 H new ATOM 0 HG3 ARG A 92 9.652 9.043 10.627 1.00 4.14 H new ATOM 0 HD2 ARG A 92 8.137 7.695 12.074 1.00 4.91 H new ATOM 0 HD3 ARG A 92 7.609 6.784 10.673 1.00 4.91 H new ATOM 0 HE ARG A 92 10.477 6.688 10.836 1.00 5.90 H new ATOM 0 HH11 ARG A 92 7.558 5.436 12.383 1.00 6.67 H new ATOM 0 HH12 ARG A 92 8.363 3.982 12.980 1.00 6.67 H new ATOM 0 HH21 ARG A 92 11.498 4.819 11.611 1.00 7.60 H new ATOM 0 HH22 ARG A 92 10.579 3.634 12.546 1.00 7.60 H new ATOM 1429 N THR A 93 7.538 8.155 7.405 1.00 1.14 N ATOM 1430 CA THR A 93 8.044 7.265 6.370 1.00 1.33 C ATOM 1431 C THR A 93 6.946 6.534 5.623 1.00 1.11 C ATOM 1432 O THR A 93 5.862 6.266 6.142 1.00 1.61 O ATOM 1433 CB THR A 93 9.062 6.275 6.957 1.00 1.94 C ATOM 1434 OG1 THR A 93 9.945 5.820 5.954 1.00 2.57 O ATOM 1435 CG2 THR A 93 8.440 5.045 7.586 1.00 2.58 C ATOM 0 H THR A 93 7.832 9.124 7.285 1.00 1.14 H new ATOM 0 HA THR A 93 8.545 7.895 5.635 1.00 1.33 H new ATOM 0 HB THR A 93 9.576 6.838 7.736 1.00 1.94 H new ATOM 0 HG1 THR A 93 10.643 6.491 5.804 1.00 2.57 H new ATOM 0 HG21 THR A 93 9.226 4.399 7.976 1.00 2.58 H new ATOM 0 HG22 THR A 93 7.781 5.346 8.400 1.00 2.58 H new ATOM 0 HG23 THR A 93 7.864 4.504 6.835 1.00 2.58 H new ATOM 1443 N LEU A 94 7.266 6.231 4.380 1.00 0.80 N ATOM 1444 CA LEU A 94 6.369 5.541 3.484 1.00 0.54 C ATOM 1445 C LEU A 94 6.297 4.055 3.830 1.00 0.52 C ATOM 1446 O LEU A 94 7.312 3.424 4.123 1.00 0.65 O ATOM 1447 CB LEU A 94 6.867 5.764 2.050 1.00 0.48 C ATOM 1448 CG LEU A 94 6.011 5.173 0.933 1.00 0.52 C ATOM 1449 CD1 LEU A 94 6.403 5.783 -0.396 1.00 1.39 C ATOM 1450 CD2 LEU A 94 6.146 3.657 0.869 1.00 1.37 C ATOM 0 H LEU A 94 8.168 6.461 3.962 1.00 0.80 H new ATOM 0 HA LEU A 94 5.357 5.934 3.582 1.00 0.54 H new ATOM 0 HB2 LEU A 94 6.954 6.837 1.882 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.871 5.346 1.968 1.00 0.48 H new ATOM 0 HG LEU A 94 4.969 5.408 1.149 1.00 0.52 H new ATOM 0 HD11 LEU A 94 5.788 5.356 -1.188 1.00 1.39 H new ATOM 0 HD12 LEU A 94 6.251 6.862 -0.360 1.00 1.39 H new ATOM 0 HD13 LEU A 94 7.453 5.571 -0.598 1.00 1.39 H new ATOM 0 HD21 LEU A 94 5.523 3.270 0.063 1.00 1.37 H new ATOM 0 HD22 LEU A 94 7.187 3.392 0.683 1.00 1.37 H new ATOM 0 HD23 LEU A 94 5.825 3.223 1.816 1.00 1.37 H new ATOM 1462 N ASP A 95 5.088 3.503 3.790 1.00 0.49 N ATOM 1463 CA ASP A 95 4.871 2.091 4.091 1.00 0.56 C ATOM 1464 C ASP A 95 4.045 1.456 2.983 1.00 0.48 C ATOM 1465 O ASP A 95 2.939 1.907 2.693 1.00 0.65 O ATOM 1466 CB ASP A 95 4.161 1.932 5.438 1.00 0.87 C ATOM 1467 CG ASP A 95 3.993 0.478 5.842 1.00 1.51 C ATOM 1468 OD1 ASP A 95 4.463 -0.402 5.091 1.00 1.92 O ATOM 1469 OD2 ASP A 95 3.390 0.219 6.905 1.00 2.19 O ATOM 0 H ASP A 95 4.239 4.015 3.551 1.00 0.49 H new ATOM 0 HA ASP A 95 5.837 1.589 4.153 1.00 0.56 H new ATOM 0 HB2 ASP A 95 4.728 2.456 6.207 1.00 0.87 H new ATOM 0 HB3 ASP A 95 3.181 2.406 5.386 1.00 0.87 H new ATOM 1474 N LEU A 96 4.594 0.432 2.343 1.00 0.48 N ATOM 1475 CA LEU A 96 3.896 -0.222 1.241 1.00 0.63 C ATOM 1476 C LEU A 96 4.058 -1.743 1.263 1.00 0.60 C ATOM 1477 O LEU A 96 5.139 -2.266 1.540 1.00 0.76 O ATOM 1478 CB LEU A 96 4.377 0.363 -0.098 1.00 0.97 C ATOM 1479 CG LEU A 96 5.839 0.086 -0.500 1.00 0.98 C ATOM 1480 CD1 LEU A 96 6.791 0.199 0.682 1.00 1.91 C ATOM 1481 CD2 LEU A 96 5.964 -1.275 -1.169 1.00 2.04 C ATOM 0 H LEU A 96 5.509 0.039 2.563 1.00 0.48 H new ATOM 0 HA LEU A 96 2.831 -0.025 1.361 1.00 0.63 H new ATOM 0 HB2 LEU A 96 3.731 -0.021 -0.887 1.00 0.97 H new ATOM 0 HB3 LEU A 96 4.234 1.443 -0.066 1.00 0.97 H new ATOM 0 HG LEU A 96 6.128 0.854 -1.217 1.00 0.98 H new ATOM 0 HD11 LEU A 96 7.809 -0.005 0.350 1.00 1.91 H new ATOM 0 HD12 LEU A 96 6.739 1.206 1.096 1.00 1.91 H new ATOM 0 HD13 LEU A 96 6.508 -0.523 1.448 1.00 1.91 H new ATOM 0 HD21 LEU A 96 7.004 -1.451 -1.445 1.00 2.04 H new ATOM 0 HD22 LEU A 96 5.636 -2.052 -0.478 1.00 2.04 H new ATOM 0 HD23 LEU A 96 5.342 -1.299 -2.064 1.00 2.04 H new ATOM 1493 N ASP A 97 2.961 -2.435 0.962 1.00 0.55 N ATOM 1494 CA ASP A 97 2.936 -3.896 0.927 1.00 0.62 C ATOM 1495 C ASP A 97 1.966 -4.382 -0.116 1.00 0.56 C ATOM 1496 O ASP A 97 0.841 -3.898 -0.236 1.00 0.70 O ATOM 1497 CB ASP A 97 2.575 -4.470 2.299 1.00 0.79 C ATOM 1498 CG ASP A 97 3.564 -4.068 3.375 1.00 1.45 C ATOM 1499 OD1 ASP A 97 4.759 -4.406 3.239 1.00 2.17 O ATOM 1500 OD2 ASP A 97 3.146 -3.414 4.353 1.00 1.98 O ATOM 0 H ASP A 97 2.066 -2.000 0.736 1.00 0.55 H new ATOM 0 HA ASP A 97 3.935 -4.245 0.664 1.00 0.62 H new ATOM 0 HB2 ASP A 97 1.578 -4.130 2.581 1.00 0.79 H new ATOM 0 HB3 ASP A 97 2.535 -5.557 2.235 1.00 0.79 H new ATOM 1505 N ILE A 98 2.447 -5.332 -0.882 1.00 0.69 N ATOM 1506 CA ILE A 98 1.694 -5.913 -1.959 1.00 0.63 C ATOM 1507 C ILE A 98 0.615 -6.874 -1.458 1.00 0.67 C ATOM 1508 O ILE A 98 0.882 -7.749 -0.633 1.00 0.93 O ATOM 1509 CB ILE A 98 2.647 -6.673 -2.891 1.00 0.74 C ATOM 1510 CG1 ILE A 98 1.908 -7.081 -4.144 1.00 1.91 C ATOM 1511 CG2 ILE A 98 3.220 -7.892 -2.185 1.00 1.40 C ATOM 1512 CD1 ILE A 98 2.734 -7.907 -5.105 1.00 2.73 C ATOM 0 H ILE A 98 3.382 -5.725 -0.771 1.00 0.69 H new ATOM 0 HA ILE A 98 1.197 -5.101 -2.490 1.00 0.63 H new ATOM 0 HB ILE A 98 3.477 -6.021 -3.165 1.00 0.74 H new ATOM 0 HG12 ILE A 98 1.022 -7.649 -3.862 1.00 1.91 H new ATOM 0 HG13 ILE A 98 1.561 -6.184 -4.657 1.00 1.91 H new ATOM 0 HG21 ILE A 98 3.894 -8.420 -2.860 1.00 1.40 H new ATOM 0 HG22 ILE A 98 3.769 -7.574 -1.299 1.00 1.40 H new ATOM 0 HG23 ILE A 98 2.408 -8.557 -1.890 1.00 1.40 H new ATOM 0 HD11 ILE A 98 2.132 -8.159 -5.978 1.00 2.73 H new ATOM 0 HD12 ILE A 98 3.607 -7.335 -5.419 1.00 2.73 H new ATOM 0 HD13 ILE A 98 3.059 -8.823 -4.611 1.00 2.73 H new ATOM 1524 N MET A 99 -0.600 -6.733 -1.983 1.00 0.53 N ATOM 1525 CA MET A 99 -1.680 -7.620 -1.611 1.00 0.63 C ATOM 1526 C MET A 99 -1.947 -8.566 -2.768 1.00 0.63 C ATOM 1527 O MET A 99 -2.742 -9.490 -2.658 1.00 0.87 O ATOM 1528 CB MET A 99 -2.956 -6.845 -1.270 1.00 0.70 C ATOM 1529 CG MET A 99 -2.725 -5.627 -0.395 1.00 0.93 C ATOM 1530 SD MET A 99 -4.059 -5.354 0.784 1.00 1.77 S ATOM 1531 CE MET A 99 -3.473 -3.884 1.620 1.00 2.48 C ATOM 0 H MET A 99 -0.852 -6.015 -2.662 1.00 0.53 H new ATOM 0 HA MET A 99 -1.387 -8.175 -0.720 1.00 0.63 H new ATOM 0 HB2 MET A 99 -3.435 -6.528 -2.197 1.00 0.70 H new ATOM 0 HB3 MET A 99 -3.652 -7.515 -0.765 1.00 0.70 H new ATOM 0 HG2 MET A 99 -1.786 -5.746 0.146 1.00 0.93 H new ATOM 0 HG3 MET A 99 -2.619 -4.746 -1.027 1.00 0.93 H new ATOM 0 HE1 MET A 99 -4.246 -3.516 2.295 1.00 2.48 H new ATOM 0 HE2 MET A 99 -2.576 -4.124 2.192 1.00 2.48 H new ATOM 0 HE3 MET A 99 -3.239 -3.115 0.883 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.288 -8.315 -3.897 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.484 -9.153 -5.076 1.00 0.55 C ATOM 1543 C LEU A 100 -0.201 -9.384 -5.862 1.00 0.54 C ATOM 1544 O LEU A 100 0.334 -8.456 -6.455 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.507 -8.508 -6.007 1.00 0.75 C ATOM 1546 CG LEU A 100 -3.927 -9.052 -5.917 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -3.944 -10.552 -6.161 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -4.571 -8.713 -4.582 1.00 1.69 C ATOM 0 H LEU A 100 -0.624 -7.551 -4.020 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.835 -10.119 -4.712 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -2.535 -7.438 -5.799 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.159 -8.624 -7.033 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.516 -8.570 -6.697 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -4.968 -10.920 -6.092 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -3.548 -10.764 -7.154 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -3.328 -11.050 -5.412 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -5.583 -9.117 -4.553 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -3.984 -9.148 -3.774 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -4.609 -7.630 -4.461 1.00 1.69 H new ATOM 1560 N PHE A 101 0.259 -10.632 -5.922 1.00 0.46 N ATOM 1561 CA PHE A 101 1.448 -10.950 -6.707 1.00 0.46 C ATOM 1562 C PHE A 101 1.018 -11.672 -7.975 1.00 0.51 C ATOM 1563 O PHE A 101 1.222 -12.879 -8.123 1.00 0.58 O ATOM 1564 CB PHE A 101 2.435 -11.811 -5.913 1.00 0.45 C ATOM 1565 CG PHE A 101 3.709 -12.109 -6.657 1.00 0.51 C ATOM 1566 CD1 PHE A 101 4.415 -11.097 -7.289 1.00 0.56 C ATOM 1567 CD2 PHE A 101 4.197 -13.404 -6.727 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.583 -11.371 -7.975 1.00 0.65 C ATOM 1569 CE2 PHE A 101 5.365 -13.684 -7.411 1.00 0.68 C ATOM 1570 CZ PHE A 101 6.058 -12.667 -8.037 1.00 0.71 C ATOM 0 H PHE A 101 -0.166 -11.427 -5.445 1.00 0.46 H new ATOM 0 HA PHE A 101 1.961 -10.022 -6.959 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.679 -11.302 -4.980 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.952 -12.751 -5.646 1.00 0.45 H new ATOM 0 HD1 PHE A 101 4.048 -10.082 -7.245 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.658 -14.204 -6.241 1.00 0.58 H new ATOM 0 HE1 PHE A 101 6.124 -10.573 -8.462 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.735 -14.698 -7.456 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.970 -12.884 -8.574 1.00 0.71 H new ATOM 1580 N GLY A 102 0.385 -10.924 -8.873 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.112 -11.504 -10.107 1.00 0.65 C ATOM 1582 C GLY A 102 -1.429 -12.219 -9.888 1.00 0.67 C ATOM 1583 O GLY A 102 -2.136 -12.535 -10.845 1.00 0.99 O ATOM 0 H GLY A 102 0.207 -9.925 -8.768 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.241 -10.720 -10.853 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.623 -12.204 -10.504 1.00 0.65 H new ATOM 1587 N ASN A 103 -1.720 -12.485 -8.607 1.00 0.58 N ATOM 1588 CA ASN A 103 -2.925 -13.188 -8.155 1.00 0.64 C ATOM 1589 C ASN A 103 -2.555 -14.620 -7.847 1.00 0.71 C ATOM 1590 O ASN A 103 -3.358 -15.544 -7.973 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.086 -13.113 -9.156 1.00 0.78 C ATOM 1592 CG ASN A 103 -4.660 -11.717 -9.249 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -3.999 -10.786 -9.706 1.00 2.12 O ATOM 1594 ND2 ASN A 103 -5.898 -11.566 -8.794 1.00 1.38 N ATOM 0 H ASN A 103 -1.108 -12.210 -7.839 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.293 -12.690 -7.258 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.738 -13.429 -10.140 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -4.870 -13.809 -8.856 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -6.340 -10.647 -8.814 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -6.407 -12.369 -8.424 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.309 -14.769 -7.430 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.747 -16.047 -7.072 1.00 0.61 C ATOM 1603 C GLU A 104 -0.906 -16.275 -5.577 1.00 0.64 C ATOM 1604 O GLU A 104 -0.887 -15.325 -4.801 1.00 0.84 O ATOM 1605 CB GLU A 104 0.728 -16.037 -7.458 1.00 0.70 C ATOM 1606 CG GLU A 104 1.505 -17.247 -6.995 1.00 1.16 C ATOM 1607 CD GLU A 104 1.077 -18.527 -7.687 1.00 1.28 C ATOM 1608 OE1 GLU A 104 -0.102 -18.914 -7.542 1.00 1.79 O ATOM 1609 OE2 GLU A 104 1.919 -19.143 -8.374 1.00 1.87 O ATOM 0 H GLU A 104 -0.656 -13.992 -7.332 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.260 -16.854 -7.595 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.806 -15.964 -8.543 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.193 -15.142 -7.044 1.00 0.70 H new ATOM 0 HG2 GLU A 104 2.567 -17.081 -7.175 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.379 -17.363 -5.919 1.00 1.16 H new ATOM 1616 N VAL A 105 -1.054 -17.523 -5.167 1.00 0.62 N ATOM 1617 CA VAL A 105 -1.198 -17.821 -3.751 1.00 0.66 C ATOM 1618 C VAL A 105 0.175 -18.042 -3.142 1.00 0.70 C ATOM 1619 O VAL A 105 0.742 -19.130 -3.234 1.00 0.83 O ATOM 1620 CB VAL A 105 -2.077 -19.061 -3.504 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -2.261 -19.300 -2.014 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -3.423 -18.911 -4.199 1.00 0.95 C ATOM 0 H VAL A 105 -1.078 -18.336 -5.783 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.691 -16.970 -3.281 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.572 -19.929 -3.926 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -2.885 -20.181 -1.861 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -1.288 -19.459 -1.548 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -2.742 -18.432 -1.563 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -4.030 -19.797 -4.013 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.937 -18.031 -3.811 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -3.268 -18.797 -5.272 1.00 0.95 H new ATOM 1632 N ILE A 106 0.721 -16.985 -2.562 1.00 0.65 N ATOM 1633 CA ILE A 106 2.050 -17.041 -1.982 1.00 0.72 C ATOM 1634 C ILE A 106 2.145 -16.195 -0.711 1.00 0.77 C ATOM 1635 O ILE A 106 2.222 -14.968 -0.769 1.00 0.84 O ATOM 1636 CB ILE A 106 3.070 -16.566 -3.033 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.484 -16.506 -2.474 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.662 -15.213 -3.598 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.487 -16.062 -3.514 1.00 0.76 C ATOM 0 H ILE A 106 0.262 -16.078 -2.481 1.00 0.65 H new ATOM 0 HA ILE A 106 2.269 -18.069 -1.695 1.00 0.72 H new ATOM 0 HB ILE A 106 3.072 -17.301 -3.838 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.510 -15.819 -1.628 1.00 0.76 H new ATOM 0 HG13 ILE A 106 4.766 -17.488 -2.095 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.394 -14.893 -4.339 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.682 -15.296 -4.068 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.617 -14.481 -2.792 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.482 -16.034 -3.071 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.481 -16.764 -4.348 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.222 -15.068 -3.874 1.00 0.76 H new ATOM 1651 N ASN A 107 2.121 -16.865 0.439 1.00 0.80 N ATOM 1652 CA ASN A 107 2.192 -16.182 1.729 1.00 0.91 C ATOM 1653 C ASN A 107 3.610 -16.184 2.287 1.00 0.92 C ATOM 1654 O ASN A 107 4.158 -17.237 2.617 1.00 1.03 O ATOM 1655 CB ASN A 107 1.252 -16.848 2.737 1.00 1.00 C ATOM 1656 CG ASN A 107 -0.197 -16.858 2.286 1.00 1.11 C ATOM 1657 OD1 ASN A 107 -0.503 -16.105 1.239 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -1.037 -17.523 2.891 1.00 1.12 N flip ATOM 0 H ASN A 107 2.053 -17.881 0.504 1.00 0.80 H new ATOM 0 HA ASN A 107 1.886 -15.149 1.567 1.00 0.91 H new ATOM 0 HB2 ASN A 107 1.580 -17.873 2.907 1.00 1.00 H new ATOM 0 HB3 ASN A 107 1.325 -16.327 3.692 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -0.759 -18.089 3.692 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -2.012 -17.508 2.591 1.00 1.12 H new ATOM 1665 N THR A 108 4.191 -14.995 2.412 1.00 0.92 N ATOM 1666 CA THR A 108 5.537 -14.849 2.956 1.00 1.01 C ATOM 1667 C THR A 108 5.630 -13.570 3.780 1.00 1.15 C ATOM 1668 O THR A 108 4.615 -12.936 4.067 1.00 1.79 O ATOM 1669 CB THR A 108 6.585 -14.834 1.837 1.00 1.00 C ATOM 1670 OG1 THR A 108 6.380 -13.734 0.970 1.00 1.66 O ATOM 1671 CG2 THR A 108 6.583 -16.090 0.992 1.00 1.26 C ATOM 0 H THR A 108 3.749 -14.116 2.143 1.00 0.92 H new ATOM 0 HA THR A 108 5.741 -15.705 3.599 1.00 1.01 H new ATOM 0 HB THR A 108 7.545 -14.762 2.347 1.00 1.00 H new ATOM 0 HG1 THR A 108 5.622 -13.921 0.377 1.00 1.66 H new ATOM 0 HG21 THR A 108 7.349 -16.011 0.220 1.00 1.26 H new ATOM 0 HG22 THR A 108 6.792 -16.954 1.623 1.00 1.26 H new ATOM 0 HG23 THR A 108 5.607 -16.211 0.523 1.00 1.26 H new ATOM 1679 N GLU A 109 6.845 -13.193 4.158 1.00 0.95 N ATOM 1680 CA GLU A 109 7.049 -11.986 4.951 1.00 1.05 C ATOM 1681 C GLU A 109 7.206 -10.767 4.051 1.00 1.06 C ATOM 1682 O GLU A 109 6.752 -9.671 4.386 1.00 1.32 O ATOM 1683 CB GLU A 109 8.280 -12.139 5.846 1.00 1.20 C ATOM 1684 CG GLU A 109 8.200 -13.329 6.789 1.00 1.46 C ATOM 1685 CD GLU A 109 9.442 -13.475 7.649 1.00 2.13 C ATOM 1686 OE1 GLU A 109 9.748 -12.534 8.413 1.00 2.57 O ATOM 1687 OE2 GLU A 109 10.109 -14.526 7.556 1.00 2.74 O ATOM 0 H GLU A 109 7.699 -13.701 3.930 1.00 0.95 H new ATOM 0 HA GLU A 109 6.170 -11.840 5.580 1.00 1.05 H new ATOM 0 HB2 GLU A 109 9.165 -12.242 5.218 1.00 1.20 H new ATOM 0 HB3 GLU A 109 8.409 -11.229 6.432 1.00 1.20 H new ATOM 0 HG2 GLU A 109 7.327 -13.220 7.433 1.00 1.46 H new ATOM 0 HG3 GLU A 109 8.056 -14.240 6.208 1.00 1.46 H new ATOM 1694 N ARG A 110 7.846 -10.966 2.906 1.00 0.93 N ATOM 1695 CA ARG A 110 8.060 -9.888 1.951 1.00 0.97 C ATOM 1696 C ARG A 110 7.185 -10.065 0.716 1.00 0.79 C ATOM 1697 O ARG A 110 7.392 -9.396 -0.294 1.00 0.87 O ATOM 1698 CB ARG A 110 9.532 -9.825 1.535 1.00 1.17 C ATOM 1699 CG ARG A 110 10.434 -9.180 2.576 1.00 1.05 C ATOM 1700 CD ARG A 110 11.901 -9.327 2.212 1.00 1.57 C ATOM 1701 NE ARG A 110 12.773 -8.682 3.187 1.00 2.14 N ATOM 1702 CZ ARG A 110 14.101 -8.692 3.111 1.00 2.68 C ATOM 1703 NH1 ARG A 110 14.707 -9.327 2.117 1.00 2.96 N ATOM 1704 NH2 ARG A 110 14.823 -8.072 4.036 1.00 3.52 N ATOM 0 H ARG A 110 8.227 -11.867 2.616 1.00 0.93 H new ATOM 0 HA ARG A 110 7.785 -8.953 2.440 1.00 0.97 H new ATOM 0 HB2 ARG A 110 9.888 -10.836 1.335 1.00 1.17 H new ATOM 0 HB3 ARG A 110 9.613 -9.268 0.602 1.00 1.17 H new ATOM 0 HG2 ARG A 110 10.186 -8.123 2.669 1.00 1.05 H new ATOM 0 HG3 ARG A 110 10.252 -9.637 3.549 1.00 1.05 H new ATOM 0 HD2 ARG A 110 12.153 -10.385 2.144 1.00 1.57 H new ATOM 0 HD3 ARG A 110 12.075 -8.894 1.227 1.00 1.57 H new ATOM 0 HE ARG A 110 12.340 -8.195 3.972 1.00 2.14 H new ATOM 0 HH11 ARG A 110 14.155 -9.809 1.408 1.00 2.96 H new ATOM 0 HH12 ARG A 110 15.725 -9.333 2.061 1.00 2.96 H new ATOM 0 HH21 ARG A 110 14.360 -7.588 4.805 1.00 3.52 H new ATOM 0 HH22 ARG A 110 15.841 -8.080 3.978 1.00 3.52 H new ATOM 1718 N LEU A 111 6.206 -10.966 0.797 1.00 0.72 N ATOM 1719 CA LEU A 111 5.317 -11.207 -0.335 1.00 0.75 C ATOM 1720 C LEU A 111 4.100 -12.054 0.038 1.00 0.66 C ATOM 1721 O LEU A 111 4.112 -13.276 -0.102 1.00 0.70 O ATOM 1722 CB LEU A 111 6.089 -11.868 -1.484 1.00 0.95 C ATOM 1723 CG LEU A 111 5.236 -12.348 -2.664 1.00 0.69 C ATOM 1724 CD1 LEU A 111 4.198 -11.306 -3.038 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.121 -12.659 -3.859 1.00 1.36 C ATOM 0 H LEU A 111 6.011 -11.533 1.622 1.00 0.72 H new ATOM 0 HA LEU A 111 4.942 -10.235 -0.656 1.00 0.75 H new ATOM 0 HB2 LEU A 111 6.828 -11.159 -1.857 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.639 -12.721 -1.086 1.00 0.95 H new ATOM 0 HG LEU A 111 4.716 -13.257 -2.363 1.00 0.69 H new ATOM 0 HD11 LEU A 111 3.605 -11.668 -3.877 1.00 0.95 H new ATOM 0 HD12 LEU A 111 3.545 -11.121 -2.185 1.00 0.95 H new ATOM 0 HD13 LEU A 111 4.698 -10.379 -3.320 1.00 0.95 H new ATOM 0 HD21 LEU A 111 5.503 -12.999 -4.690 1.00 1.36 H new ATOM 0 HD22 LEU A 111 6.664 -11.761 -4.153 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.832 -13.441 -3.592 1.00 1.36 H new ATOM 1737 N THR A 112 3.040 -11.386 0.480 1.00 0.71 N ATOM 1738 CA THR A 112 1.796 -12.058 0.834 1.00 0.67 C ATOM 1739 C THR A 112 0.659 -11.532 -0.043 1.00 0.66 C ATOM 1740 O THR A 112 0.253 -10.377 0.081 1.00 0.82 O ATOM 1741 CB THR A 112 1.475 -11.848 2.317 1.00 0.74 C ATOM 1742 OG1 THR A 112 0.212 -12.401 2.639 1.00 0.75 O ATOM 1743 CG2 THR A 112 1.461 -10.391 2.732 1.00 0.83 C ATOM 0 H THR A 112 3.018 -10.374 0.602 1.00 0.71 H new ATOM 0 HA THR A 112 1.909 -13.128 0.662 1.00 0.67 H new ATOM 0 HB THR A 112 2.277 -12.351 2.858 1.00 0.74 H new ATOM 0 HG1 THR A 112 0.094 -12.402 3.612 1.00 0.75 H new ATOM 0 HG21 THR A 112 1.227 -10.317 3.794 1.00 0.83 H new ATOM 0 HG22 THR A 112 2.440 -9.950 2.545 1.00 0.83 H new ATOM 0 HG23 THR A 112 0.706 -9.856 2.156 1.00 0.83 H new ATOM 1751 N VAL A 113 0.150 -12.380 -0.936 1.00 0.60 N ATOM 1752 CA VAL A 113 -0.930 -11.978 -1.830 1.00 0.61 C ATOM 1753 C VAL A 113 -2.252 -11.925 -1.072 1.00 0.64 C ATOM 1754 O VAL A 113 -2.817 -10.851 -0.899 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.042 -12.913 -3.048 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.179 -12.481 -3.960 1.00 1.27 C ATOM 1757 CG2 VAL A 113 0.274 -12.942 -3.798 1.00 1.38 C ATOM 0 H VAL A 113 0.467 -13.342 -1.058 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.696 -10.982 -2.205 1.00 0.61 H new ATOM 0 HB VAL A 113 -1.265 -13.920 -2.697 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.238 -13.157 -4.813 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -3.119 -12.510 -3.409 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -1.997 -11.466 -4.313 1.00 1.27 H new ATOM 0 HG21 VAL A 113 0.188 -13.605 -4.659 1.00 1.38 H new ATOM 0 HG22 VAL A 113 0.521 -11.936 -4.138 1.00 1.38 H new ATOM 0 HG23 VAL A 113 1.061 -13.305 -3.137 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.763 -13.060 -0.553 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.001 -13.039 0.217 1.00 0.70 C ATOM 1769 C PRO A 114 -3.919 -11.976 1.303 1.00 0.76 C ATOM 1770 O PRO A 114 -4.930 -11.554 1.859 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.076 -14.441 0.815 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.292 -15.288 -0.125 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.179 -14.414 -0.624 1.00 0.63 C ATOM 0 HA PRO A 114 -4.881 -12.797 -0.378 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -3.654 -14.467 1.820 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.107 -14.785 0.893 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -2.900 -16.172 0.378 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.914 -15.639 -0.948 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.287 -14.502 -0.003 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.886 -14.675 -1.641 1.00 0.63 H new ATOM 1781 N HIS A 115 -2.685 -11.536 1.567 1.00 0.82 N ATOM 1782 CA HIS A 115 -2.404 -10.499 2.549 1.00 0.95 C ATOM 1783 C HIS A 115 -3.026 -10.809 3.888 1.00 0.86 C ATOM 1784 O HIS A 115 -4.242 -10.721 4.052 1.00 0.88 O ATOM 1785 CB HIS A 115 -2.918 -9.146 2.059 1.00 1.14 C ATOM 1786 CG HIS A 115 -2.601 -8.015 2.989 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -3.081 -7.944 4.280 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -1.840 -6.910 2.812 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -2.631 -6.846 4.857 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -1.875 -6.201 3.989 1.00 3.97 N ATOM 0 H HIS A 115 -1.852 -11.895 1.100 1.00 0.82 H new ATOM 0 HA HIS A 115 -1.322 -10.462 2.673 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -2.486 -8.934 1.081 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -3.998 -9.204 1.924 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -3.690 -8.634 4.721 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -1.305 -6.637 1.914 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -2.845 -6.529 5.867 1.00 4.09 H new ATOM 1799 N TYR A 116 -2.195 -11.148 4.857 1.00 1.04 N ATOM 1800 CA TYR A 116 -2.713 -11.435 6.174 1.00 1.14 C ATOM 1801 C TYR A 116 -3.408 -10.201 6.739 1.00 1.04 C ATOM 1802 O TYR A 116 -2.765 -9.303 7.281 1.00 1.47 O ATOM 1803 CB TYR A 116 -1.595 -11.923 7.108 1.00 1.62 C ATOM 1804 CG TYR A 116 -0.234 -11.301 6.849 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -0.022 -9.934 6.981 1.00 2.56 C ATOM 1806 CD2 TYR A 116 0.846 -12.096 6.479 1.00 3.06 C ATOM 1807 CE1 TYR A 116 1.221 -9.378 6.749 1.00 3.50 C ATOM 1808 CE2 TYR A 116 2.092 -11.546 6.248 1.00 4.05 C ATOM 1809 CZ TYR A 116 2.274 -10.186 6.383 1.00 4.18 C ATOM 1810 OH TYR A 116 3.513 -9.635 6.155 1.00 5.29 O ATOM 0 H TYR A 116 -1.183 -11.229 4.758 1.00 1.04 H new ATOM 0 HA TYR A 116 -3.446 -12.238 6.097 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -1.884 -11.715 8.138 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -1.508 -13.005 7.014 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -0.843 -9.295 7.270 1.00 2.56 H new ATOM 0 HD2 TYR A 116 0.708 -13.162 6.370 1.00 3.06 H new ATOM 0 HE1 TYR A 116 1.366 -8.313 6.854 1.00 3.50 H new ATOM 0 HE2 TYR A 116 2.920 -12.178 5.963 1.00 4.05 H new ATOM 0 HH TYR A 116 4.145 -10.342 5.907 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.736 -10.188 6.605 1.00 0.77 N ATOM 1821 CA ASP A 117 -5.586 -9.099 7.095 1.00 0.80 C ATOM 1822 C ASP A 117 -5.723 -7.948 6.092 1.00 0.72 C ATOM 1823 O ASP A 117 -5.697 -6.781 6.487 1.00 0.82 O ATOM 1824 CB ASP A 117 -5.075 -8.561 8.436 1.00 1.03 C ATOM 1825 CG ASP A 117 -5.065 -9.616 9.524 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -5.440 -10.773 9.236 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -4.680 -9.286 10.666 1.00 2.22 O ATOM 0 H ASP A 117 -5.256 -10.938 6.150 1.00 0.77 H new ATOM 0 HA ASP A 117 -6.577 -9.531 7.232 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -4.066 -8.170 8.305 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -5.702 -7.726 8.751 1.00 1.03 H new ATOM 1832 N MET A 118 -5.912 -8.261 4.805 1.00 0.69 N ATOM 1833 CA MET A 118 -6.095 -7.206 3.804 1.00 0.72 C ATOM 1834 C MET A 118 -7.375 -6.433 4.111 1.00 0.71 C ATOM 1835 O MET A 118 -7.481 -5.242 3.816 1.00 0.73 O ATOM 1836 CB MET A 118 -6.148 -7.771 2.368 1.00 0.83 C ATOM 1837 CG MET A 118 -6.775 -9.151 2.273 1.00 1.15 C ATOM 1838 SD MET A 118 -6.781 -9.798 0.587 1.00 2.40 S ATOM 1839 CE MET A 118 -7.780 -8.573 -0.255 1.00 3.10 C ATOM 0 H MET A 118 -5.942 -9.213 4.439 1.00 0.69 H new ATOM 0 HA MET A 118 -5.234 -6.539 3.857 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.711 -7.083 1.738 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.135 -7.814 1.967 1.00 0.83 H new ATOM 0 HG2 MET A 118 -6.230 -9.839 2.920 1.00 1.15 H new ATOM 0 HG3 MET A 118 -7.799 -9.107 2.645 1.00 1.15 H new ATOM 0 HE1 MET A 118 -8.139 -8.983 -1.199 1.00 3.10 H new ATOM 0 HE2 MET A 118 -8.631 -8.305 0.371 1.00 3.10 H new ATOM 0 HE3 MET A 118 -7.179 -7.685 -0.450 1.00 3.10 H new ATOM 1849 N LYS A 119 -8.339 -7.125 4.717 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.616 -6.516 5.082 1.00 0.95 C ATOM 1851 C LYS A 119 -9.428 -5.378 6.076 1.00 0.99 C ATOM 1852 O LYS A 119 -10.260 -4.476 6.165 1.00 1.24 O ATOM 1853 CB LYS A 119 -10.565 -7.574 5.653 1.00 1.15 C ATOM 1854 CG LYS A 119 -9.903 -8.561 6.609 1.00 1.30 C ATOM 1855 CD LYS A 119 -9.573 -7.935 7.956 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.832 -7.526 8.703 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.526 -6.948 10.041 1.00 2.67 N ATOM 0 H LYS A 119 -8.259 -8.111 4.966 1.00 0.80 H new ATOM 0 HA LYS A 119 -10.056 -6.096 4.178 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -11.379 -7.071 6.175 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -11.010 -8.129 4.827 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -10.564 -9.414 6.761 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -8.988 -8.943 6.156 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -9.005 -8.644 8.559 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -8.937 -7.062 7.807 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -11.384 -6.796 8.111 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -11.480 -8.394 8.823 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -11.192 -7.328 10.744 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -9.554 -7.199 10.314 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -10.618 -5.913 10.001 1.00 2.67 H new ATOM 1871 N ASN A 120 -8.327 -5.420 6.814 1.00 0.90 N ATOM 1872 CA ASN A 120 -8.029 -4.386 7.792 1.00 1.04 C ATOM 1873 C ASN A 120 -7.433 -3.159 7.115 1.00 1.08 C ATOM 1874 O ASN A 120 -6.833 -2.306 7.769 1.00 1.35 O ATOM 1875 CB ASN A 120 -7.072 -4.919 8.858 1.00 1.08 C ATOM 1876 CG ASN A 120 -7.800 -5.630 9.983 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -7.538 -6.923 10.139 1.00 1.77 O flip ATOM 1878 ND2 ASN A 120 -8.594 -5.024 10.703 1.00 1.84 N flip ATOM 0 H ASN A 120 -7.627 -6.159 6.753 1.00 0.90 H new ATOM 0 HA ASN A 120 -8.962 -4.094 8.274 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -6.363 -5.606 8.396 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -6.493 -4.092 9.269 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -8.766 -4.031 10.549 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -9.079 -5.515 11.454 1.00 1.84 H new ATOM 1885 N ARG A 121 -7.600 -3.076 5.796 1.00 0.93 N ATOM 1886 CA ARG A 121 -7.073 -1.954 5.038 1.00 1.06 C ATOM 1887 C ARG A 121 -8.016 -1.538 3.910 1.00 0.84 C ATOM 1888 O ARG A 121 -7.661 -1.627 2.735 1.00 0.87 O ATOM 1889 CB ARG A 121 -5.699 -2.300 4.462 1.00 1.31 C ATOM 1890 CG ARG A 121 -4.673 -2.672 5.518 1.00 1.14 C ATOM 1891 CD ARG A 121 -3.319 -2.965 4.896 1.00 1.39 C ATOM 1892 NE ARG A 121 -2.336 -3.378 5.894 1.00 1.56 N ATOM 1893 CZ ARG A 121 -1.061 -3.630 5.612 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -0.612 -3.494 4.370 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -0.231 -4.015 6.572 1.00 2.04 N ATOM 0 H ARG A 121 -8.094 -3.771 5.237 1.00 0.93 H new ATOM 0 HA ARG A 121 -6.979 -1.113 5.725 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -5.806 -3.130 3.763 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -5.328 -1.448 3.892 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -4.577 -1.858 6.236 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -5.018 -3.546 6.071 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -3.426 -3.749 4.147 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -2.958 -2.076 4.378 1.00 1.39 H new ATOM 0 HE ARG A 121 -2.644 -3.479 6.861 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -1.246 -3.195 3.629 1.00 2.29 H new ATOM 0 HH12 ARG A 121 0.367 -3.688 4.157 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -0.570 -4.118 7.528 1.00 2.04 H new ATOM 0 HH22 ARG A 121 0.747 -4.208 6.354 1.00 2.04 H new ATOM 1909 N GLY A 122 -9.204 -1.056 4.270 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.154 -0.601 3.267 1.00 0.60 C ATOM 1911 C GLY A 122 -9.629 0.612 2.545 1.00 0.57 C ATOM 1912 O GLY A 122 -10.157 1.017 1.511 1.00 0.59 O ATOM 0 H GLY A 122 -9.525 -0.973 5.235 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.346 -1.401 2.552 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.106 -0.363 3.742 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.561 1.177 3.090 1.00 0.65 N ATOM 1917 CA PHE A 123 -7.915 2.336 2.503 1.00 0.72 C ATOM 1918 C PHE A 123 -6.926 1.884 1.437 1.00 0.80 C ATOM 1919 O PHE A 123 -6.228 2.697 0.833 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.224 3.161 3.592 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.520 2.329 4.628 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.342 1.669 4.329 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -7.048 2.204 5.904 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -4.700 0.898 5.281 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -6.410 1.437 6.860 1.00 1.49 C ATOM 1926 CZ PHE A 123 -5.235 0.782 6.549 1.00 1.98 C ATOM 0 H PHE A 123 -8.121 0.844 3.948 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.663 2.971 2.029 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.502 3.830 3.125 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -7.966 3.788 4.086 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.918 1.757 3.340 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -7.968 2.712 6.153 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -3.781 0.387 5.033 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -6.831 1.350 7.851 1.00 1.49 H new ATOM 0 HZ PHE A 123 -4.736 0.181 7.295 1.00 1.98 H new ATOM 1936 N MET A 124 -6.897 0.571 1.210 1.00 0.62 N ATOM 1937 CA MET A 124 -6.022 -0.034 0.214 1.00 0.68 C ATOM 1938 C MET A 124 -6.821 -0.950 -0.714 1.00 0.64 C ATOM 1939 O MET A 124 -6.548 -1.030 -1.910 1.00 0.68 O ATOM 1940 CB MET A 124 -4.911 -0.838 0.897 1.00 0.80 C ATOM 1941 CG MET A 124 -4.018 -0.018 1.819 1.00 1.00 C ATOM 1942 SD MET A 124 -2.667 0.822 0.962 1.00 1.91 S ATOM 1943 CE MET A 124 -3.551 2.006 -0.047 1.00 2.23 C ATOM 0 H MET A 124 -7.479 -0.099 1.712 1.00 0.62 H new ATOM 0 HA MET A 124 -5.573 0.766 -0.375 1.00 0.68 H new ATOM 0 HB2 MET A 124 -5.364 -1.645 1.473 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.292 -1.303 0.130 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.627 0.725 2.334 1.00 1.00 H new ATOM 0 HG3 MET A 124 -3.600 -0.673 2.583 1.00 1.00 H new ATOM 0 HE1 MET A 124 -2.969 2.925 -0.124 1.00 2.23 H new ATOM 0 HE2 MET A 124 -3.707 1.591 -1.043 1.00 2.23 H new ATOM 0 HE3 MET A 124 -4.516 2.225 0.410 1.00 2.23 H new ATOM 1953 N LEU A 125 -7.811 -1.643 -0.156 1.00 0.61 N ATOM 1954 CA LEU A 125 -8.635 -2.552 -0.933 1.00 0.62 C ATOM 1955 C LEU A 125 -9.762 -1.812 -1.651 1.00 0.56 C ATOM 1956 O LEU A 125 -9.940 -1.990 -2.854 1.00 0.63 O ATOM 1957 CB LEU A 125 -9.187 -3.657 -0.036 1.00 0.67 C ATOM 1958 CG LEU A 125 -8.147 -4.567 0.619 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -8.820 -5.762 1.267 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -7.106 -5.025 -0.396 1.00 1.16 C ATOM 0 H LEU A 125 -8.058 -1.589 0.832 1.00 0.61 H new ATOM 0 HA LEU A 125 -8.009 -3.007 -1.701 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -9.785 -3.196 0.750 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -9.862 -4.276 -0.628 1.00 0.67 H new ATOM 0 HG LEU A 125 -7.635 -3.995 1.393 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -8.065 -6.399 1.728 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -9.519 -5.417 2.029 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -9.361 -6.330 0.510 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -6.378 -5.671 0.095 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -7.597 -5.576 -1.198 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -6.597 -4.156 -0.813 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.507 -0.964 -0.934 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.578 -0.200 -1.577 1.00 0.48 C ATOM 1974 C TRP A 126 -10.990 0.555 -2.773 1.00 0.47 C ATOM 1975 O TRP A 126 -11.478 0.425 -3.893 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.267 0.797 -0.616 1.00 0.52 C ATOM 1977 CG TRP A 126 -13.011 1.867 -1.336 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -13.004 3.173 -1.017 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.871 1.731 -2.481 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -13.776 3.884 -1.901 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -14.328 3.019 -2.807 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -14.293 0.654 -3.266 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -15.182 3.262 -3.879 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -15.144 0.895 -4.328 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -15.579 2.190 -4.627 1.00 3.03 C ATOM 0 H TRP A 126 -10.393 -0.793 0.065 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.345 -0.905 -1.897 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.955 0.254 0.032 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.515 1.253 0.028 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -12.467 3.602 -0.184 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -13.916 4.894 -1.885 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -13.960 -0.349 -3.046 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -15.519 4.262 -4.111 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -15.479 0.069 -4.938 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -16.242 2.346 -5.466 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.917 1.350 -2.561 1.00 0.50 N ATOM 1997 CA PRO A 127 -9.273 2.095 -3.642 1.00 0.54 C ATOM 1998 C PRO A 127 -8.950 1.190 -4.822 1.00 0.53 C ATOM 1999 O PRO A 127 -9.228 1.527 -5.973 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.977 2.632 -3.016 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.850 1.954 -1.695 1.00 0.61 C ATOM 2002 CD PRO A 127 -9.239 1.579 -1.277 1.00 0.55 C ATOM 0 HA PRO A 127 -9.917 2.884 -4.030 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -7.118 2.415 -3.651 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -8.020 3.715 -2.897 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.216 1.071 -1.771 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -7.389 2.616 -0.962 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.246 0.686 -0.652 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.717 2.373 -0.704 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.373 0.026 -4.525 1.00 0.53 N ATOM 2011 CA LEU A 128 -8.032 -0.938 -5.562 1.00 0.56 C ATOM 2012 C LEU A 128 -9.295 -1.468 -6.214 1.00 0.54 C ATOM 2013 O LEU A 128 -9.283 -1.880 -7.374 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.228 -2.107 -4.988 1.00 0.63 C ATOM 2015 CG LEU A 128 -6.808 -3.162 -6.022 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -5.972 -2.540 -7.128 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -6.035 -4.285 -5.361 1.00 1.55 C ATOM 0 H LEU A 128 -8.134 -0.268 -3.578 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.420 -0.428 -6.305 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.333 -1.713 -4.506 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.821 -2.593 -4.213 1.00 0.63 H new ATOM 0 HG LEU A 128 -7.717 -3.572 -6.463 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -5.688 -3.309 -7.846 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -6.553 -1.769 -7.633 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -5.074 -2.095 -6.699 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -5.748 -5.021 -6.112 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -5.140 -3.881 -4.888 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -6.660 -4.762 -4.607 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.390 -1.449 -5.462 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.662 -1.922 -5.974 1.00 0.51 C ATOM 2031 C PHE A 129 -12.134 -1.002 -7.096 1.00 0.53 C ATOM 2032 O PHE A 129 -12.809 -1.433 -8.019 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.712 -1.985 -4.859 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.974 -2.707 -5.250 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.971 -2.052 -5.958 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -14.169 -4.038 -4.904 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -16.133 -2.709 -6.316 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -15.330 -4.696 -5.259 1.00 0.71 C ATOM 2039 CZ PHE A 129 -16.313 -4.033 -5.967 1.00 0.75 C ATOM 0 H PHE A 129 -10.418 -1.112 -4.500 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.529 -2.930 -6.366 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.276 -2.479 -3.991 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.965 -0.970 -4.554 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.838 -1.016 -6.233 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -13.404 -4.564 -4.351 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -16.900 -2.187 -6.869 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -15.469 -5.731 -4.983 1.00 0.71 H new ATOM 0 HZ PHE A 129 -17.220 -4.548 -6.247 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.761 0.274 -7.016 1.00 0.43 N ATOM 2050 CA GLU A 130 -12.148 1.233 -8.044 1.00 0.49 C ATOM 2051 C GLU A 130 -11.221 1.119 -9.251 1.00 0.53 C ATOM 2052 O GLU A 130 -11.678 1.100 -10.395 1.00 0.68 O ATOM 2053 CB GLU A 130 -12.138 2.662 -7.496 1.00 0.54 C ATOM 2054 CG GLU A 130 -12.709 3.680 -8.472 1.00 0.99 C ATOM 2055 CD GLU A 130 -12.820 5.071 -7.878 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -11.772 5.654 -7.533 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -13.955 5.577 -7.759 1.00 2.04 O ATOM 0 H GLU A 130 -11.198 0.663 -6.259 1.00 0.43 H new ATOM 0 HA GLU A 130 -13.165 1.000 -8.359 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -12.712 2.694 -6.570 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -11.115 2.942 -7.246 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -12.077 3.719 -9.359 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -13.695 3.350 -8.797 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.917 1.025 -8.991 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.939 0.892 -10.065 1.00 0.56 C ATOM 2066 C ILE A 131 -8.974 -0.525 -10.640 1.00 0.52 C ATOM 2067 O ILE A 131 -8.387 -0.798 -11.687 1.00 0.64 O ATOM 2068 CB ILE A 131 -7.511 1.233 -9.591 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -7.062 0.292 -8.475 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -7.448 2.683 -9.133 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -5.661 0.582 -7.975 1.00 1.41 C ATOM 0 H ILE A 131 -9.518 1.039 -8.052 1.00 0.48 H new ATOM 0 HA ILE A 131 -9.209 1.607 -10.842 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.828 1.099 -10.430 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.761 0.368 -7.642 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -7.106 -0.736 -8.836 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -6.437 2.916 -8.800 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -7.717 3.338 -9.961 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -8.145 2.835 -8.309 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -5.404 -0.122 -7.183 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.953 0.478 -8.797 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -5.617 1.599 -7.585 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.687 -1.418 -9.945 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.830 -2.812 -10.371 1.00 0.58 C ATOM 2085 C ALA A 132 -10.819 -3.573 -9.477 1.00 0.56 C ATOM 2086 O ALA A 132 -10.420 -4.198 -8.494 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.477 -3.509 -10.367 1.00 0.73 C ATOM 0 H ALA A 132 -10.177 -1.196 -9.078 1.00 0.53 H new ATOM 0 HA ALA A 132 -10.227 -2.810 -11.386 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.600 -4.544 -10.686 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.802 -2.996 -11.052 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -8.059 -3.487 -9.361 1.00 0.73 H new ATOM 2093 N PRO A 133 -12.130 -3.521 -9.801 1.00 0.63 N ATOM 2094 CA PRO A 133 -13.179 -4.193 -9.025 1.00 0.66 C ATOM 2095 C PRO A 133 -13.496 -5.603 -9.528 1.00 0.88 C ATOM 2096 O PRO A 133 -14.659 -6.005 -9.560 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.382 -3.289 -9.273 1.00 0.79 C ATOM 2098 CG PRO A 133 -14.191 -2.772 -10.663 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.702 -2.785 -10.944 1.00 0.81 C ATOM 0 HA PRO A 133 -12.891 -4.325 -7.982 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -15.317 -3.841 -9.181 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.421 -2.474 -8.550 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.724 -3.394 -11.382 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.592 -1.763 -10.757 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.478 -3.279 -11.889 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.299 -1.774 -11.010 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.470 -6.348 -9.920 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.664 -7.708 -10.418 1.00 1.12 C ATOM 2109 C GLU A 134 -11.546 -8.618 -9.933 1.00 1.08 C ATOM 2110 O GLU A 134 -11.525 -9.813 -10.226 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.722 -7.718 -11.948 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.899 -6.943 -12.519 1.00 1.87 C ATOM 2113 CD GLU A 134 -13.940 -6.970 -14.035 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -13.046 -7.595 -14.644 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -14.866 -6.365 -14.616 1.00 2.61 O ATOM 0 H GLU A 134 -11.499 -6.037 -9.904 1.00 0.90 H new ATOM 0 HA GLU A 134 -13.612 -8.080 -10.030 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.796 -7.297 -12.341 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.775 -8.750 -12.294 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -14.827 -7.360 -12.127 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.846 -5.908 -12.180 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.623 -8.033 -9.186 1.00 0.99 N ATOM 2123 CA LEU A 135 -9.492 -8.768 -8.642 1.00 1.03 C ATOM 2124 C LEU A 135 -9.949 -9.651 -7.486 1.00 1.50 C ATOM 2125 O LEU A 135 -9.889 -9.255 -6.323 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.422 -7.775 -8.182 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.018 -8.350 -7.994 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.028 -7.227 -7.740 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -6.995 -9.351 -6.849 1.00 2.26 C ATOM 0 H LEU A 135 -10.636 -7.043 -8.941 1.00 0.99 H new ATOM 0 HA LEU A 135 -9.067 -9.414 -9.411 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -8.368 -6.965 -8.909 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -8.743 -7.335 -7.238 1.00 1.00 H new ATOM 0 HG LEU A 135 -6.731 -8.873 -8.906 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.030 -7.645 -7.607 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -6.026 -6.545 -8.590 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -6.317 -6.684 -6.840 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -5.986 -9.748 -6.733 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -7.299 -8.856 -5.927 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -7.683 -10.168 -7.066 1.00 2.26 H new ATOM 2141 N VAL A 136 -10.407 -10.851 -7.823 1.00 1.65 N ATOM 2142 CA VAL A 136 -10.882 -11.810 -6.833 1.00 2.11 C ATOM 2143 C VAL A 136 -10.272 -13.184 -7.088 1.00 1.98 C ATOM 2144 O VAL A 136 -10.626 -13.860 -8.055 1.00 2.82 O ATOM 2145 CB VAL A 136 -12.423 -11.913 -6.849 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -12.932 -12.144 -8.264 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -12.900 -13.019 -5.921 1.00 3.66 C ATOM 0 H VAL A 136 -10.459 -11.185 -8.785 1.00 1.65 H new ATOM 0 HA VAL A 136 -10.570 -11.455 -5.851 1.00 2.11 H new ATOM 0 HB VAL A 136 -12.829 -10.968 -6.489 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -14.020 -12.214 -8.253 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -12.628 -11.313 -8.900 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -12.513 -13.072 -8.654 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -13.988 -13.073 -5.949 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -12.481 -13.972 -6.245 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -12.573 -12.806 -4.903 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.342 -13.586 -6.224 1.00 1.34 N ATOM 2158 CA PHE A 137 -8.671 -14.875 -6.374 1.00 1.66 C ATOM 2159 C PHE A 137 -7.617 -15.121 -5.288 1.00 1.18 C ATOM 2160 O PHE A 137 -7.533 -16.232 -4.764 1.00 1.57 O ATOM 2161 CB PHE A 137 -8.015 -14.962 -7.752 1.00 2.23 C ATOM 2162 CG PHE A 137 -7.419 -16.308 -8.066 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -8.127 -17.468 -7.804 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -6.152 -16.412 -8.619 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -7.586 -18.708 -8.085 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -5.603 -17.650 -8.903 1.00 4.85 C ATOM 2167 CZ PHE A 137 -6.315 -18.790 -8.659 1.00 5.09 C ATOM 0 H PHE A 137 -9.037 -13.041 -5.417 1.00 1.34 H new ATOM 0 HA PHE A 137 -9.434 -15.647 -6.269 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -8.758 -14.720 -8.512 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -7.233 -14.206 -7.818 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -9.116 -17.403 -7.374 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -5.587 -15.516 -8.831 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -8.142 -19.607 -7.863 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -4.608 -17.715 -9.319 1.00 4.85 H new ATOM 0 HZ PHE A 137 -5.896 -19.753 -8.909 1.00 5.09 H new ATOM 2177 N PRO A 138 -6.789 -14.102 -4.933 1.00 0.88 N ATOM 2178 CA PRO A 138 -5.748 -14.229 -3.916 1.00 0.92 C ATOM 2179 C PRO A 138 -6.127 -15.225 -2.826 1.00 1.20 C ATOM 2180 O PRO A 138 -5.377 -16.155 -2.526 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.645 -12.806 -3.343 1.00 1.24 C ATOM 2182 CG PRO A 138 -6.442 -11.924 -4.263 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.779 -12.747 -5.478 1.00 1.44 C ATOM 0 HA PRO A 138 -4.811 -14.605 -4.326 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -6.039 -12.766 -2.327 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.606 -12.480 -3.295 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -7.349 -11.573 -3.771 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -5.869 -11.040 -4.543 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.744 -12.471 -5.903 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.037 -12.630 -6.268 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.309 -15.030 -2.263 1.00 1.07 N ATOM 2192 CA ASP A 139 -7.830 -15.908 -1.225 1.00 1.62 C ATOM 2193 C ASP A 139 -9.217 -16.405 -1.631 1.00 1.65 C ATOM 2194 O ASP A 139 -9.734 -17.378 -1.084 1.00 2.28 O ATOM 2195 CB ASP A 139 -7.893 -15.166 0.115 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.297 -16.066 1.269 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -9.448 -16.551 1.267 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -7.465 -16.282 2.175 1.00 3.67 O ATOM 0 H ASP A 139 -7.933 -14.262 -2.511 1.00 1.07 H new ATOM 0 HA ASP A 139 -7.166 -16.764 -1.108 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -6.919 -14.726 0.327 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -8.604 -14.343 0.036 1.00 2.26 H new ATOM 2203 N GLY A 140 -9.804 -15.717 -2.609 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.122 -16.075 -3.106 1.00 1.72 C ATOM 2205 C GLY A 140 -12.121 -14.967 -2.904 1.00 1.31 C ATOM 2206 O GLY A 140 -13.330 -15.201 -2.863 1.00 1.85 O ATOM 0 H GLY A 140 -9.384 -14.910 -3.070 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.056 -16.315 -4.167 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -11.470 -16.974 -2.597 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.605 -13.755 -2.805 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.430 -12.574 -2.631 1.00 0.94 C ATOM 2212 C GLU A 141 -11.693 -11.355 -3.138 1.00 0.82 C ATOM 2213 O GLU A 141 -10.465 -11.287 -3.065 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.785 -12.339 -1.161 1.00 1.56 C ATOM 2215 CG GLU A 141 -13.402 -13.539 -0.463 1.00 1.38 C ATOM 2216 CD GLU A 141 -13.799 -13.240 0.969 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -14.643 -12.341 1.176 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -13.269 -13.904 1.884 1.00 2.47 O ATOM 0 H GLU A 141 -10.604 -13.562 -2.843 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.349 -12.737 -3.194 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.882 -12.047 -0.624 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -13.479 -11.501 -1.097 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -14.281 -13.866 -1.019 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -12.692 -14.366 -0.474 1.00 1.38 H new ATOM 2225 N MET A 142 -12.443 -10.387 -3.623 1.00 0.57 N ATOM 2226 CA MET A 142 -11.855 -9.153 -4.105 1.00 0.54 C ATOM 2227 C MET A 142 -11.127 -8.460 -2.967 1.00 0.58 C ATOM 2228 O MET A 142 -10.853 -9.054 -1.925 1.00 0.92 O ATOM 2229 CB MET A 142 -12.924 -8.215 -4.671 1.00 0.57 C ATOM 2230 CG MET A 142 -13.716 -8.829 -5.800 1.00 0.67 C ATOM 2231 SD MET A 142 -15.015 -7.747 -6.422 1.00 1.32 S ATOM 2232 CE MET A 142 -15.735 -8.776 -7.698 1.00 1.58 C ATOM 0 H MET A 142 -13.460 -10.430 -3.694 1.00 0.57 H new ATOM 0 HA MET A 142 -11.155 -9.397 -4.904 1.00 0.54 H new ATOM 0 HB2 MET A 142 -13.607 -7.928 -3.871 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.446 -7.302 -5.026 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.039 -9.080 -6.616 1.00 0.67 H new ATOM 0 HG3 MET A 142 -14.162 -9.763 -5.457 1.00 0.67 H new ATOM 0 HE1 MET A 142 -16.520 -8.222 -8.212 1.00 1.58 H new ATOM 0 HE2 MET A 142 -14.964 -9.061 -8.414 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.160 -9.672 -7.246 1.00 1.58 H new ATOM 2242 N LEU A 143 -10.848 -7.197 -3.163 1.00 0.55 N ATOM 2243 CA LEU A 143 -10.183 -6.399 -2.157 1.00 0.62 C ATOM 2244 C LEU A 143 -11.217 -5.915 -1.166 1.00 0.56 C ATOM 2245 O LEU A 143 -11.305 -6.377 -0.026 1.00 0.60 O ATOM 2246 CB LEU A 143 -9.524 -5.186 -2.805 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.688 -5.459 -4.048 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -7.698 -6.588 -3.796 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.565 -5.760 -5.254 1.00 1.70 C ATOM 0 H LEU A 143 -11.073 -6.691 -4.020 1.00 0.55 H new ATOM 0 HA LEU A 143 -9.423 -7.001 -1.660 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -10.304 -4.471 -3.067 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -8.887 -4.705 -2.063 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.122 -4.555 -4.273 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -7.112 -6.766 -4.697 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.032 -6.312 -2.978 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.241 -7.496 -3.531 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -8.935 -5.950 -6.123 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -10.176 -6.639 -5.049 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -10.213 -4.907 -5.455 1.00 1.70 H new ATOM 2261 N ARG A 144 -12.026 -5.004 -1.658 1.00 0.53 N ATOM 2262 CA ARG A 144 -13.114 -4.433 -0.909 1.00 0.52 C ATOM 2263 C ARG A 144 -14.023 -5.539 -0.456 1.00 0.61 C ATOM 2264 O ARG A 144 -14.786 -5.398 0.490 1.00 0.69 O ATOM 2265 CB ARG A 144 -13.882 -3.474 -1.794 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.154 -2.939 -1.158 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.971 -2.126 -2.149 1.00 0.85 C ATOM 2268 NE ARG A 144 -17.281 -1.761 -1.619 1.00 1.18 N ATOM 2269 CZ ARG A 144 -18.186 -1.069 -2.303 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.921 -0.666 -3.540 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -19.357 -0.779 -1.755 1.00 2.16 N ATOM 0 H ARG A 144 -11.942 -4.636 -2.605 1.00 0.53 H new ATOM 0 HA ARG A 144 -12.730 -3.894 -0.043 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.235 -2.635 -2.052 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.137 -3.979 -2.726 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -15.753 -3.770 -0.785 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -14.900 -2.319 -0.299 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -15.423 -1.221 -2.412 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -16.100 -2.699 -3.067 1.00 0.85 H new ATOM 0 HE ARG A 144 -17.515 -2.054 -0.670 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.021 -0.888 -3.967 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.617 -0.135 -4.063 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -19.566 -1.087 -0.805 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -20.049 -0.248 -2.283 1.00 2.16 H new ATOM 2285 N GLN A 145 -13.936 -6.641 -1.162 1.00 0.76 N ATOM 2286 CA GLN A 145 -14.744 -7.787 -0.861 1.00 0.92 C ATOM 2287 C GLN A 145 -14.638 -8.156 0.591 1.00 0.89 C ATOM 2288 O GLN A 145 -15.630 -8.173 1.319 1.00 0.97 O ATOM 2289 CB GLN A 145 -14.307 -8.967 -1.702 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.463 -9.865 -2.010 1.00 0.96 C ATOM 2291 CD GLN A 145 -16.514 -9.140 -2.831 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -16.169 -7.930 -3.283 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.605 -9.659 -3.069 1.00 1.87 N flip ATOM 0 H GLN A 145 -13.306 -6.763 -1.955 1.00 0.76 H new ATOM 0 HA GLN A 145 -15.780 -7.533 -1.087 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -13.862 -8.611 -2.631 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -13.537 -9.529 -1.174 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -15.112 -10.741 -2.555 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -15.906 -10.224 -1.081 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -17.820 -10.585 -2.701 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.293 -9.162 -3.635 1.00 1.87 H new ATOM 2302 N ILE A 146 -13.421 -8.441 1.007 1.00 0.85 N ATOM 2303 CA ILE A 146 -13.165 -8.812 2.369 1.00 0.90 C ATOM 2304 C ILE A 146 -13.341 -7.599 3.265 1.00 0.85 C ATOM 2305 O ILE A 146 -13.506 -7.728 4.477 1.00 1.01 O ATOM 2306 CB ILE A 146 -11.754 -9.394 2.518 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -11.462 -10.371 1.376 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -11.603 -10.091 3.863 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -10.072 -10.972 1.427 1.00 1.06 C ATOM 0 H ILE A 146 -12.594 -8.420 0.411 1.00 0.85 H new ATOM 0 HA ILE A 146 -13.876 -9.583 2.667 1.00 0.90 H new ATOM 0 HB ILE A 146 -11.035 -8.576 2.472 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -12.197 -11.176 1.402 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -11.589 -9.853 0.425 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -10.596 -10.498 3.951 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -11.776 -9.374 4.666 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -12.329 -10.901 3.937 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -9.939 -11.653 0.587 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -9.329 -10.176 1.370 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -9.946 -11.519 2.361 1.00 1.06 H new ATOM 2321 N LEU A 147 -13.326 -6.411 2.654 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.507 -5.179 3.413 1.00 0.75 C ATOM 2323 C LEU A 147 -14.954 -4.995 3.827 1.00 0.71 C ATOM 2324 O LEU A 147 -15.284 -4.956 5.000 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.183 -3.962 2.570 1.00 0.92 C ATOM 2326 CG LEU A 147 -11.771 -3.809 2.071 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -11.703 -2.511 1.293 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -10.781 -3.813 3.226 1.00 1.66 C ATOM 0 H LEU A 147 -13.192 -6.280 1.651 1.00 0.72 H new ATOM 0 HA LEU A 147 -12.846 -5.264 4.275 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -13.845 -3.968 1.704 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -13.430 -3.075 3.154 1.00 0.92 H new ATOM 0 HG LEU A 147 -11.501 -4.647 1.428 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -10.691 -2.366 0.915 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -12.401 -2.551 0.457 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -11.968 -1.680 1.947 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -9.769 -3.701 2.838 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -11.005 -2.986 3.900 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -10.859 -4.755 3.769 1.00 1.66 H new ATOM 2340 N HIS A 148 -15.794 -4.822 2.817 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.209 -4.572 2.988 1.00 0.76 C ATOM 2342 C HIS A 148 -17.834 -5.514 3.986 1.00 0.83 C ATOM 2343 O HIS A 148 -18.749 -5.142 4.723 1.00 0.92 O ATOM 2344 CB HIS A 148 -17.895 -4.695 1.640 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.147 -3.883 1.545 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -19.986 -3.906 0.451 1.00 1.04 N ATOM 2347 CD2 HIS A 148 -19.698 -3.013 2.423 1.00 1.02 C ATOM 2348 CE1 HIS A 148 -20.999 -3.083 0.659 1.00 1.20 C ATOM 2349 NE2 HIS A 148 -20.848 -2.529 1.849 1.00 1.19 N ATOM 0 H HIS A 148 -15.501 -4.853 1.840 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.337 -3.564 3.383 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.205 -4.381 0.857 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.133 -5.742 1.454 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.306 -2.749 3.394 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.812 -2.895 -0.027 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -21.482 -1.852 2.273 1.00 1.19 H new ATOM 2358 N THR A 149 -17.343 -6.731 4.004 1.00 0.86 N ATOM 2359 CA THR A 149 -17.870 -7.727 4.919 1.00 0.97 C ATOM 2360 C THR A 149 -17.150 -7.699 6.267 1.00 1.00 C ATOM 2361 O THR A 149 -17.699 -8.156 7.269 1.00 1.13 O ATOM 2362 CB THR A 149 -17.792 -9.123 4.294 1.00 1.02 C ATOM 2363 OG1 THR A 149 -18.064 -10.122 5.261 1.00 1.35 O ATOM 2364 CG2 THR A 149 -16.451 -9.434 3.666 1.00 1.48 C ATOM 0 H THR A 149 -16.586 -7.057 3.403 1.00 0.86 H new ATOM 0 HA THR A 149 -18.916 -7.482 5.104 1.00 0.97 H new ATOM 0 HB THR A 149 -18.544 -9.124 3.505 1.00 1.02 H new ATOM 0 HG1 THR A 149 -18.011 -11.006 4.842 1.00 1.35 H new ATOM 0 HG21 THR A 149 -16.471 -10.439 3.244 1.00 1.48 H new ATOM 0 HG22 THR A 149 -16.243 -8.713 2.876 1.00 1.48 H new ATOM 0 HG23 THR A 149 -15.671 -9.375 4.425 1.00 1.48 H new ATOM 2372 N ARG A 150 -15.915 -7.190 6.298 1.00 0.91 N ATOM 2373 CA ARG A 150 -15.161 -7.161 7.553 1.00 0.97 C ATOM 2374 C ARG A 150 -14.800 -5.754 8.054 1.00 0.97 C ATOM 2375 O ARG A 150 -14.076 -5.647 9.046 1.00 1.16 O ATOM 2376 CB ARG A 150 -13.891 -7.999 7.406 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.156 -9.444 7.010 1.00 1.12 C ATOM 2378 CD ARG A 150 -15.045 -10.150 8.024 1.00 1.43 C ATOM 2379 NE ARG A 150 -15.357 -11.520 7.623 1.00 1.84 N ATOM 2380 CZ ARG A 150 -14.447 -12.483 7.499 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -13.172 -12.236 7.771 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -14.812 -13.697 7.112 1.00 2.86 N ATOM 0 H ARG A 150 -15.427 -6.802 5.491 1.00 0.91 H new ATOM 0 HA ARG A 150 -15.825 -7.580 8.309 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.247 -7.538 6.657 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -13.345 -7.984 8.349 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -14.630 -9.472 6.029 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -13.209 -9.977 6.922 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -14.549 -10.161 8.994 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -15.971 -9.589 8.146 1.00 1.43 H new ATOM 0 HE ARG A 150 -16.331 -11.752 7.426 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -12.887 -11.306 8.076 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -12.477 -12.977 7.675 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -15.792 -13.894 6.909 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -14.113 -14.434 7.018 1.00 2.86 H new ATOM 2396 N ALA A 151 -15.282 -4.682 7.397 1.00 0.88 N ATOM 2397 CA ALA A 151 -14.962 -3.317 7.817 1.00 0.91 C ATOM 2398 C ALA A 151 -15.265 -2.316 6.710 1.00 0.92 C ATOM 2399 O ALA A 151 -16.251 -1.592 6.789 1.00 1.18 O ATOM 2400 CB ALA A 151 -13.498 -3.187 8.221 1.00 0.89 C ATOM 0 H ALA A 151 -15.890 -4.740 6.580 1.00 0.88 H new ATOM 0 HA ALA A 151 -15.589 -3.098 8.681 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -13.295 -2.161 8.527 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -13.288 -3.862 9.051 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -12.862 -3.445 7.374 1.00 0.89 H new ATOM 2406 N PHE A 152 -14.403 -2.295 5.679 1.00 0.79 N ATOM 2407 CA PHE A 152 -14.552 -1.387 4.542 1.00 0.99 C ATOM 2408 C PHE A 152 -15.021 -0.020 4.986 1.00 0.88 C ATOM 2409 O PHE A 152 -14.229 0.902 5.172 1.00 1.32 O ATOM 2410 CB PHE A 152 -15.546 -1.971 3.548 1.00 1.26 C ATOM 2411 CG PHE A 152 -15.932 -1.079 2.398 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -14.971 -0.640 1.502 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -17.239 -0.659 2.230 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -15.307 0.196 0.456 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -17.580 0.181 1.188 1.00 3.27 C ATOM 2416 CZ PHE A 152 -16.674 0.527 0.257 1.00 3.92 C ATOM 0 H PHE A 152 -13.589 -2.906 5.616 1.00 0.79 H new ATOM 0 HA PHE A 152 -13.577 -1.273 4.069 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -15.126 -2.891 3.143 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -16.452 -2.245 4.089 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -13.945 -0.956 1.623 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -18.000 -0.991 2.920 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -14.545 0.591 -0.199 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -18.587 0.565 1.120 1.00 3.27 H new ATOM 0 HZ PHE A 152 -16.983 1.052 -0.635 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.327 0.088 5.131 1.00 0.92 N ATOM 2427 CA ASP A 153 -16.965 1.314 5.527 1.00 1.10 C ATOM 2428 C ASP A 153 -16.762 2.383 4.455 1.00 1.14 C ATOM 2429 O ASP A 153 -17.250 3.506 4.586 1.00 1.88 O ATOM 2430 CB ASP A 153 -16.433 1.811 6.877 1.00 1.43 C ATOM 2431 CG ASP A 153 -16.749 0.858 8.012 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -17.946 0.592 8.248 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -15.799 0.377 8.664 1.00 2.80 O ATOM 0 H ASP A 153 -16.975 -0.684 4.974 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.031 1.116 5.639 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -15.354 1.947 6.811 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -16.864 2.788 7.096 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.029 2.011 3.396 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.734 2.906 2.277 1.00 0.78 C ATOM 2440 C LYS A 154 -14.681 3.951 2.634 1.00 0.91 C ATOM 2441 O LYS A 154 -14.024 4.510 1.752 1.00 1.80 O ATOM 2442 CB LYS A 154 -17.011 3.593 1.795 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.753 4.775 0.887 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.163 4.362 -0.436 1.00 1.03 C ATOM 2445 CE LYS A 154 -16.297 5.474 -1.464 1.00 1.54 C ATOM 2446 NZ LYS A 154 -15.632 6.729 -1.015 1.00 2.17 N ATOM 0 H LYS A 154 -15.625 1.080 3.295 1.00 0.75 H new ATOM 0 HA LYS A 154 -15.326 2.292 1.474 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.628 2.866 1.266 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -17.583 3.927 2.660 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -17.688 5.309 0.715 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -16.076 5.470 1.383 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -15.111 4.108 -0.305 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -16.665 3.465 -0.798 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -15.860 5.150 -2.409 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -17.353 5.670 -1.652 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -16.352 7.456 -0.830 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -15.094 6.545 -0.144 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -14.985 7.064 -1.757 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.526 4.214 3.919 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.561 5.200 4.385 1.00 0.61 C ATOM 2462 C LEU A 155 -13.789 6.542 3.686 1.00 0.68 C ATOM 2463 O LEU A 155 -14.882 6.805 3.185 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.133 4.701 4.158 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.832 3.311 4.734 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.340 3.040 4.699 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -12.360 3.184 6.157 1.00 1.23 C ATOM 0 H LEU A 155 -15.056 3.759 4.662 1.00 0.61 H new ATOM 0 HA LEU A 155 -13.702 5.346 5.456 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.936 4.684 3.086 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.440 5.418 4.598 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.340 2.570 4.117 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -10.140 2.051 5.110 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -9.987 3.083 3.669 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.820 3.792 5.293 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -12.134 2.190 6.542 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.886 3.934 6.789 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.439 3.337 6.160 1.00 1.23 H new ATOM 2479 N ASN A 156 -12.765 7.391 3.660 1.00 0.66 N ATOM 2480 CA ASN A 156 -12.879 8.696 3.026 1.00 0.77 C ATOM 2481 C ASN A 156 -11.777 8.890 1.999 1.00 0.65 C ATOM 2482 O ASN A 156 -10.600 8.704 2.306 1.00 0.69 O ATOM 2483 CB ASN A 156 -12.816 9.799 4.082 1.00 1.04 C ATOM 2484 CG ASN A 156 -13.818 9.584 5.200 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -13.728 8.611 5.950 1.00 2.44 O ATOM 2486 ND2 ASN A 156 -14.784 10.485 5.311 1.00 2.12 N ATOM 0 H ASN A 156 -11.851 7.197 4.070 1.00 0.66 H new ATOM 0 HA ASN A 156 -13.840 8.750 2.514 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -11.811 9.840 4.501 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -13.004 10.763 3.609 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -15.491 10.388 6.040 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -14.820 11.276 4.668 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.150 9.269 0.782 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.163 9.484 -0.267 1.00 0.64 C ATOM 2495 C LYS A 157 -10.314 10.698 0.063 1.00 0.68 C ATOM 2496 O LYS A 157 -10.599 11.815 -0.369 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.848 9.657 -1.617 1.00 0.79 C ATOM 2498 CG LYS A 157 -10.893 9.720 -2.796 1.00 0.96 C ATOM 2499 CD LYS A 157 -11.644 9.852 -4.111 1.00 1.67 C ATOM 2500 CE LYS A 157 -12.606 8.693 -4.327 1.00 1.70 C ATOM 2501 NZ LYS A 157 -13.349 8.815 -5.612 1.00 2.51 N ATOM 0 H LYS A 157 -13.117 9.432 0.500 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.515 8.610 -0.326 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.541 8.829 -1.769 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -12.442 10.571 -1.596 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -10.218 10.567 -2.674 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -10.277 8.821 -2.816 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -12.197 10.791 -4.122 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -10.931 9.892 -4.935 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -12.051 7.755 -4.317 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -13.316 8.652 -3.501 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -13.993 8.005 -5.719 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -13.899 9.697 -5.612 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -12.674 8.828 -6.403 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.266 10.453 0.838 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.341 11.490 1.263 1.00 0.83 C ATOM 2517 C TRP A 158 -9.039 12.561 2.104 1.00 1.08 C ATOM 2518 O TRP A 158 -10.244 12.803 1.886 1.00 1.47 O ATOM 2519 CB TRP A 158 -7.664 12.122 0.043 1.00 0.85 C ATOM 2520 CG TRP A 158 -6.678 13.202 0.384 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.568 14.422 -0.218 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -5.663 13.161 1.396 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.551 15.144 0.359 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -4.980 14.393 1.351 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -5.265 12.207 2.338 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -3.926 14.692 2.210 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -4.219 12.507 3.189 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -3.559 13.739 3.121 1.00 2.95 C ATOM 2529 OXT TRP A 158 -8.370 13.147 2.982 1.00 1.75 O ATOM 0 H TRP A 158 -9.034 9.524 1.190 1.00 0.73 H new ATOM 0 HA TRP A 158 -7.582 11.025 1.892 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.153 11.342 -0.521 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -8.431 12.537 -0.611 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -7.190 14.769 -1.030 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -5.268 16.087 0.092 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -5.767 11.253 2.399 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -3.416 15.643 2.159 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -3.905 11.777 3.920 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -2.744 13.942 3.800 1.00 2.95 H new TER 2540 TRP A 158