USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1167 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 154 LYS NZ :NH3+ -155:sc= 0.346 (180deg=0) USER MOD Set 1.2: A 156 ASN :FLIP amide:sc= 0.271 F(o=-4.1!,f=0.62) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -3.49 F(o=-8.6!,f=-3.7) USER MOD Set 2.2: A 112 THR OG1 : rot 180:sc= -0.244 USER MOD Set 3.1: A 10 ASN : amide:sc= -1.88 K(o=-8,f=-12!) USER MOD Set 3.2: A 48 GLN : amide:sc= -1.07! K(o=-8!,f=-9.8) USER MOD Set 3.3: A 50 GLN :FLIP amide:sc= -5.02! C(o=-11!,f=-8!) USER MOD Set 4.1: A 40 TYR OH : rot -35:sc= -7.19! USER MOD Set 4.2: A 42 THR OG1 : rot 166:sc= -0.406 USER MOD Set 4.3: A 55 ASN :FLIP amide:sc= -4.61 F(o=-16!,f=-12) USER MOD Single : A 1 THR N :NH3+ 156:sc= 0.0118 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -4:sc= -0.685! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.33 K(o=-3.3,f=-6.1!) USER MOD Single : A 19 ASN :FLIP amide:sc= -3.24! C(o=-4.7!,f=-3.2!) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0516 (180deg=-0.259) USER MOD Single : A 31 SER OG : rot 27:sc= -4.62! USER MOD Single : A 32 HIS : no HE2:sc= -0.504 K(o=-0.5,f=-4.8!) USER MOD Single : A 35 THR OG1 : rot 154:sc= -4.53! USER MOD Single : A 37 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 38 SER OG : rot -66:sc= 1.18 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 62 THR OG1 : rot -151:sc= 0.413 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.42 F(o=-4.5!,f=-1.4) USER MOD Single : A 72 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.62) USER MOD Single : A 73 THR OG1 : rot -166:sc= -1.41 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.02! C(o=-2!,f=-4.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 99 MET CE :methyl -158:sc= -0.906 (180deg=-2.04) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.54! F(o=-2.7,f=-1.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 115 HIS : +bothHN:sc= -9.21! C(o=-9.2!,f=-9.1!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 151:sc= -1.25 (180deg=-3.39!) USER MOD Single : A 119 LYS NZ :NH3+ 179:sc= -0.888 (180deg=-0.913) USER MOD Single : A 120 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.1!) USER MOD Single : A 124 MET CE :methyl -104:sc= -0.14 (180deg=-2.68!) USER MOD Single : A 142 MET CE :methyl -154:sc= -0.312 (180deg=-1.64!) USER MOD Single : A 145 GLN :FLIP amide:sc= -1.73 F(o=-3.6!,f=-1.7) USER MOD Single : A 148 HIS :FLIP no HD1:sc= -0.0543 F(o=-0.61,f=-0.054) USER MOD Single : A 149 THR OG1 : rot -94:sc= 0.93 USER MOD Single : A 157 LYS NZ :NH3+ 166:sc= -0.0328 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.028 -9.908 -14.445 1.00 0.82 N ATOM 2 CA THR A 1 3.125 -10.118 -13.283 1.00 0.59 C ATOM 3 C THR A 1 2.737 -8.789 -12.644 1.00 0.52 C ATOM 4 O THR A 1 3.595 -8.040 -12.177 1.00 0.52 O ATOM 5 CB THR A 1 3.842 -11.008 -12.265 1.00 0.64 C ATOM 6 OG1 THR A 1 4.199 -12.248 -12.848 1.00 0.92 O ATOM 7 CG2 THR A 1 3.011 -11.304 -11.034 1.00 0.62 C ATOM 0 H1 THR A 1 4.590 -10.768 -14.608 1.00 0.82 H new ATOM 0 H2 THR A 1 3.461 -9.699 -15.292 1.00 0.82 H new ATOM 0 H3 THR A 1 4.665 -9.110 -14.250 1.00 0.82 H new ATOM 0 HA THR A 1 2.207 -10.600 -13.621 1.00 0.59 H new ATOM 0 HB THR A 1 4.724 -10.444 -11.961 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.658 -12.802 -12.183 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.580 -11.939 -10.355 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.759 -10.370 -10.532 1.00 0.62 H new ATOM 0 HG23 THR A 1 2.095 -11.816 -11.328 1.00 0.62 H new ATOM 17 N VAL A 2 1.439 -8.499 -12.627 1.00 0.54 N ATOM 18 CA VAL A 2 0.945 -7.258 -12.046 1.00 0.54 C ATOM 19 C VAL A 2 0.744 -7.393 -10.539 1.00 0.44 C ATOM 20 O VAL A 2 -0.232 -7.981 -10.075 1.00 0.45 O ATOM 21 CB VAL A 2 -0.375 -6.815 -12.712 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.416 -7.924 -12.652 1.00 1.49 C ATOM 23 CG2 VAL A 2 -0.903 -5.542 -12.066 1.00 1.42 C ATOM 0 H VAL A 2 0.713 -9.106 -13.008 1.00 0.54 H new ATOM 0 HA VAL A 2 1.701 -6.495 -12.229 1.00 0.54 H new ATOM 0 HB VAL A 2 -0.169 -6.605 -13.762 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.336 -7.585 -13.128 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.040 -8.804 -13.173 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -1.618 -8.177 -11.611 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -1.834 -5.247 -12.550 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -1.086 -5.721 -11.006 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -0.168 -4.745 -12.178 1.00 1.42 H new ATOM 33 N ALA A 3 1.676 -6.839 -9.777 1.00 0.43 N ATOM 34 CA ALA A 3 1.609 -6.893 -8.324 1.00 0.40 C ATOM 35 C ALA A 3 0.668 -5.825 -7.778 1.00 0.33 C ATOM 36 O ALA A 3 0.866 -4.633 -8.022 1.00 0.37 O ATOM 37 CB ALA A 3 3.000 -6.722 -7.732 1.00 0.48 C ATOM 0 H ALA A 3 2.490 -6.345 -10.143 1.00 0.43 H new ATOM 0 HA ALA A 3 1.216 -7.868 -8.036 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.940 -6.764 -6.644 1.00 0.48 H new ATOM 0 HB2 ALA A 3 3.649 -7.521 -8.091 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.409 -5.759 -8.036 1.00 0.48 H new ATOM 43 N TYR A 4 -0.347 -6.251 -7.027 1.00 0.38 N ATOM 44 CA TYR A 4 -1.292 -5.311 -6.445 1.00 0.48 C ATOM 45 C TYR A 4 -0.799 -4.872 -5.076 1.00 0.46 C ATOM 46 O TYR A 4 -1.102 -5.494 -4.059 1.00 0.72 O ATOM 47 CB TYR A 4 -2.689 -5.926 -6.362 1.00 0.79 C ATOM 48 CG TYR A 4 -3.244 -6.323 -7.712 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.875 -7.519 -8.313 1.00 3.01 C ATOM 50 CD2 TYR A 4 -4.140 -5.500 -8.385 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.381 -7.885 -9.547 1.00 4.21 C ATOM 52 CE2 TYR A 4 -4.651 -5.860 -9.618 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.265 -7.052 -10.196 1.00 4.50 C ATOM 54 OH TYR A 4 -4.776 -7.413 -11.422 1.00 5.73 O ATOM 0 H TYR A 4 -0.531 -7.231 -6.811 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.362 -4.433 -7.087 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.655 -6.804 -5.717 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.366 -5.212 -5.893 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.181 -8.175 -7.808 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -4.442 -4.565 -7.937 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -3.084 -8.820 -10.000 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -5.349 -5.211 -10.126 1.00 3.83 H new ATOM 0 HH TYR A 4 -5.385 -6.715 -11.741 1.00 5.73 H new ATOM 64 N ILE A 5 -0.007 -3.805 -5.087 1.00 0.40 N ATOM 65 CA ILE A 5 0.595 -3.245 -3.881 1.00 0.45 C ATOM 66 C ILE A 5 -0.092 -1.954 -3.448 1.00 0.44 C ATOM 67 O ILE A 5 -0.402 -1.096 -4.272 1.00 0.57 O ATOM 68 CB ILE A 5 2.090 -2.948 -4.115 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.347 -2.801 -5.610 1.00 0.52 C ATOM 70 CG2 ILE A 5 2.963 -4.041 -3.524 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.686 -2.187 -5.935 1.00 0.79 C ATOM 0 H ILE A 5 0.237 -3.300 -5.939 1.00 0.40 H new ATOM 0 HA ILE A 5 0.474 -3.989 -3.093 1.00 0.45 H new ATOM 0 HB ILE A 5 2.348 -2.016 -3.612 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.283 -3.783 -6.079 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.559 -2.187 -6.047 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.012 -3.806 -3.704 1.00 0.93 H new ATOM 0 HG22 ILE A 5 2.785 -4.108 -2.451 1.00 0.93 H new ATOM 0 HG23 ILE A 5 2.720 -4.994 -3.993 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.800 -2.113 -7.017 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.746 -1.191 -5.495 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.481 -2.812 -5.528 1.00 0.79 H new ATOM 83 N ALA A 6 -0.311 -1.818 -2.146 1.00 0.48 N ATOM 84 CA ALA A 6 -0.946 -0.630 -1.599 1.00 0.51 C ATOM 85 C ALA A 6 0.080 0.268 -0.908 1.00 0.46 C ATOM 86 O ALA A 6 0.888 -0.198 -0.104 1.00 0.58 O ATOM 87 CB ALA A 6 -2.051 -1.022 -0.632 1.00 0.71 C ATOM 0 H ALA A 6 -0.057 -2.519 -1.450 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.386 -0.067 -2.422 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -2.518 -0.123 -0.230 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -2.799 -1.616 -1.156 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -1.629 -1.608 0.184 1.00 0.71 H new ATOM 93 N ILE A 7 0.032 1.558 -1.234 1.00 0.44 N ATOM 94 CA ILE A 7 0.949 2.537 -0.656 1.00 0.43 C ATOM 95 C ILE A 7 0.292 3.296 0.492 1.00 0.49 C ATOM 96 O ILE A 7 -0.797 3.844 0.338 1.00 0.58 O ATOM 97 CB ILE A 7 1.424 3.559 -1.708 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.169 2.856 -2.845 1.00 1.19 C ATOM 99 CG2 ILE A 7 2.308 4.617 -1.059 1.00 1.41 C ATOM 100 CD1 ILE A 7 2.643 3.801 -3.929 1.00 1.42 C ATOM 0 H ILE A 7 -0.635 1.950 -1.898 1.00 0.44 H new ATOM 0 HA ILE A 7 1.807 1.977 -0.284 1.00 0.43 H new ATOM 0 HB ILE A 7 0.548 4.053 -2.130 1.00 0.47 H new ATOM 0 HG12 ILE A 7 3.028 2.327 -2.434 1.00 1.19 H new ATOM 0 HG13 ILE A 7 1.515 2.105 -3.288 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.635 5.331 -1.815 1.00 1.41 H new ATOM 0 HG22 ILE A 7 1.743 5.139 -0.287 1.00 1.41 H new ATOM 0 HG23 ILE A 7 3.179 4.139 -0.611 1.00 1.41 H new ATOM 0 HD11 ILE A 7 3.163 3.236 -4.703 1.00 1.42 H new ATOM 0 HD12 ILE A 7 1.785 4.312 -4.367 1.00 1.42 H new ATOM 0 HD13 ILE A 7 3.323 4.537 -3.499 1.00 1.42 H new ATOM 112 N GLY A 8 0.973 3.332 1.636 1.00 0.57 N ATOM 113 CA GLY A 8 0.457 4.036 2.796 1.00 0.69 C ATOM 114 C GLY A 8 1.360 5.184 3.211 1.00 0.68 C ATOM 115 O GLY A 8 2.570 5.004 3.360 1.00 0.77 O ATOM 0 H GLY A 8 1.878 2.883 1.779 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.539 4.420 2.574 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.352 3.338 3.627 1.00 0.69 H new ATOM 119 N SER A 9 0.777 6.370 3.389 1.00 0.70 N ATOM 120 CA SER A 9 1.551 7.548 3.773 1.00 0.75 C ATOM 121 C SER A 9 0.791 8.440 4.753 1.00 0.87 C ATOM 122 O SER A 9 -0.395 8.242 5.012 1.00 0.92 O ATOM 123 CB SER A 9 1.919 8.361 2.533 1.00 0.76 C ATOM 124 OG SER A 9 0.759 8.840 1.875 1.00 1.67 O ATOM 0 H SER A 9 -0.222 6.539 3.274 1.00 0.70 H new ATOM 0 HA SER A 9 2.454 7.193 4.270 1.00 0.75 H new ATOM 0 HB2 SER A 9 2.552 9.201 2.820 1.00 0.76 H new ATOM 0 HB3 SER A 9 2.500 7.743 1.849 1.00 0.76 H new ATOM 0 HG SER A 9 -0.039 8.495 2.327 1.00 1.67 H new ATOM 130 N ASN A 10 1.498 9.433 5.281 1.00 1.03 N ATOM 131 CA ASN A 10 0.924 10.384 6.225 1.00 1.23 C ATOM 132 C ASN A 10 1.832 11.607 6.341 1.00 1.30 C ATOM 133 O ASN A 10 2.372 12.071 5.336 1.00 2.00 O ATOM 134 CB ASN A 10 0.718 9.725 7.591 1.00 1.55 C ATOM 135 CG ASN A 10 1.983 9.081 8.121 1.00 2.18 C ATOM 136 OD1 ASN A 10 3.015 9.734 8.261 1.00 2.66 O ATOM 137 ND2 ASN A 10 1.905 7.790 8.421 1.00 3.02 N ATOM 0 H ASN A 10 2.481 9.601 5.068 1.00 1.03 H new ATOM 0 HA ASN A 10 -0.051 10.706 5.859 1.00 1.23 H new ATOM 0 HB2 ASN A 10 0.369 10.473 8.303 1.00 1.55 H new ATOM 0 HB3 ASN A 10 -0.065 8.970 7.513 1.00 1.55 H new ATOM 0 HD21 ASN A 10 2.723 7.300 8.784 1.00 3.02 H new ATOM 0 HD22 ASN A 10 1.027 7.288 8.289 1.00 3.02 H new ATOM 144 N LEU A 11 2.009 12.127 7.557 1.00 1.21 N ATOM 145 CA LEU A 11 2.865 13.294 7.770 1.00 1.31 C ATOM 146 C LEU A 11 2.253 14.534 7.118 1.00 1.49 C ATOM 147 O LEU A 11 1.543 14.428 6.119 1.00 1.96 O ATOM 148 CB LEU A 11 4.274 13.014 7.211 1.00 1.36 C ATOM 149 CG LEU A 11 5.291 14.157 7.321 1.00 1.66 C ATOM 150 CD1 LEU A 11 6.709 13.609 7.282 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.102 15.161 6.196 1.00 2.45 C ATOM 0 H LEU A 11 1.574 11.761 8.404 1.00 1.21 H new ATOM 0 HA LEU A 11 2.947 13.487 8.840 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.680 12.145 7.728 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.177 12.743 6.160 1.00 1.36 H new ATOM 0 HG LEU A 11 5.126 14.662 8.273 1.00 1.66 H new ATOM 0 HD11 LEU A 11 7.419 14.432 7.361 1.00 2.11 H new ATOM 0 HD12 LEU A 11 6.856 12.921 8.115 1.00 2.11 H new ATOM 0 HD13 LEU A 11 6.869 13.080 6.342 1.00 2.11 H new ATOM 0 HD21 LEU A 11 5.835 15.962 6.296 1.00 2.45 H new ATOM 0 HD22 LEU A 11 5.238 14.662 5.236 1.00 2.45 H new ATOM 0 HD23 LEU A 11 4.097 15.580 6.247 1.00 2.45 H new ATOM 163 N ALA A 12 2.536 15.708 7.689 1.00 1.57 N ATOM 164 CA ALA A 12 2.016 16.968 7.159 1.00 1.79 C ATOM 165 C ALA A 12 2.143 17.001 5.639 1.00 1.71 C ATOM 166 O ALA A 12 3.245 17.109 5.104 1.00 2.29 O ATOM 167 CB ALA A 12 2.753 18.145 7.780 1.00 2.08 C ATOM 0 H ALA A 12 3.122 15.811 8.518 1.00 1.57 H new ATOM 0 HA ALA A 12 0.960 17.044 7.417 1.00 1.79 H new ATOM 0 HB1 ALA A 12 2.356 19.077 7.377 1.00 2.08 H new ATOM 0 HB2 ALA A 12 2.616 18.130 8.861 1.00 2.08 H new ATOM 0 HB3 ALA A 12 3.815 18.073 7.548 1.00 2.08 H new ATOM 173 N SER A 13 1.009 16.875 4.953 1.00 1.54 N ATOM 174 CA SER A 13 0.994 16.853 3.493 1.00 1.42 C ATOM 175 C SER A 13 1.668 15.573 3.003 1.00 1.10 C ATOM 176 O SER A 13 2.805 15.598 2.528 1.00 1.17 O ATOM 177 CB SER A 13 1.696 18.086 2.915 1.00 1.72 C ATOM 178 OG SER A 13 1.686 18.061 1.499 1.00 2.45 O ATOM 0 H SER A 13 0.089 16.787 5.385 1.00 1.54 H new ATOM 0 HA SER A 13 -0.040 16.874 3.150 1.00 1.42 H new ATOM 0 HB2 SER A 13 1.201 18.990 3.269 1.00 1.72 H new ATOM 0 HB3 SER A 13 2.724 18.125 3.274 1.00 1.72 H new ATOM 0 HG SER A 13 2.139 18.859 1.155 1.00 2.45 H new ATOM 184 N PRO A 14 0.973 14.426 3.139 1.00 0.96 N ATOM 185 CA PRO A 14 1.496 13.114 2.739 1.00 0.92 C ATOM 186 C PRO A 14 2.065 13.090 1.326 1.00 0.86 C ATOM 187 O PRO A 14 2.799 12.171 0.969 1.00 0.90 O ATOM 188 CB PRO A 14 0.274 12.203 2.835 1.00 1.18 C ATOM 189 CG PRO A 14 -0.587 12.837 3.869 1.00 1.23 C ATOM 190 CD PRO A 14 -0.381 14.321 3.720 1.00 1.14 C ATOM 0 HA PRO A 14 2.332 12.814 3.371 1.00 0.92 H new ATOM 0 HB2 PRO A 14 -0.243 12.131 1.878 1.00 1.18 H new ATOM 0 HB3 PRO A 14 0.556 11.190 3.121 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -1.634 12.571 3.723 1.00 1.23 H new ATOM 0 HG3 PRO A 14 -0.309 12.502 4.868 1.00 1.23 H new ATOM 0 HD2 PRO A 14 -1.133 14.767 3.069 1.00 1.14 H new ATOM 0 HD3 PRO A 14 -0.447 14.833 4.680 1.00 1.14 H new ATOM 198 N LEU A 15 1.722 14.092 0.526 1.00 0.89 N ATOM 199 CA LEU A 15 2.202 14.168 -0.849 1.00 0.90 C ATOM 200 C LEU A 15 3.708 13.925 -0.928 1.00 0.84 C ATOM 201 O LEU A 15 4.199 13.356 -1.899 1.00 0.84 O ATOM 202 CB LEU A 15 1.859 15.527 -1.462 1.00 1.07 C ATOM 203 CG LEU A 15 2.341 15.731 -2.902 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.748 14.672 -3.820 1.00 1.67 C ATOM 205 CD2 LEU A 15 1.977 17.125 -3.390 1.00 1.72 C ATOM 0 H LEU A 15 1.114 14.862 0.805 1.00 0.89 H new ATOM 0 HA LEU A 15 1.701 13.384 -1.417 1.00 0.90 H new ATOM 0 HB2 LEU A 15 0.777 15.657 -1.436 1.00 1.07 H new ATOM 0 HB3 LEU A 15 2.290 16.309 -0.837 1.00 1.07 H new ATOM 0 HG LEU A 15 3.426 15.630 -2.920 1.00 1.33 H new ATOM 0 HD11 LEU A 15 2.102 14.834 -4.838 1.00 1.67 H new ATOM 0 HD12 LEU A 15 2.056 13.683 -3.481 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.660 14.740 -3.799 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.326 17.255 -4.414 1.00 1.72 H new ATOM 0 HD22 LEU A 15 0.895 17.251 -3.357 1.00 1.72 H new ATOM 0 HD23 LEU A 15 2.449 17.870 -2.749 1.00 1.72 H new ATOM 217 N GLU A 16 4.440 14.358 0.093 1.00 0.86 N ATOM 218 CA GLU A 16 5.889 14.184 0.116 1.00 0.88 C ATOM 219 C GLU A 16 6.274 12.711 0.269 1.00 0.76 C ATOM 220 O GLU A 16 7.019 12.170 -0.551 1.00 0.75 O ATOM 221 CB GLU A 16 6.507 15.004 1.251 1.00 1.05 C ATOM 222 CG GLU A 16 8.024 14.914 1.306 1.00 1.40 C ATOM 223 CD GLU A 16 8.618 15.758 2.415 1.00 1.82 C ATOM 224 OE1 GLU A 16 8.413 16.990 2.399 1.00 2.16 O ATOM 225 OE2 GLU A 16 9.289 15.187 3.302 1.00 2.49 O ATOM 0 H GLU A 16 4.057 14.830 0.912 1.00 0.86 H new ATOM 0 HA GLU A 16 6.279 14.539 -0.838 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.217 16.048 1.134 1.00 1.05 H new ATOM 0 HB3 GLU A 16 6.096 14.663 2.201 1.00 1.05 H new ATOM 0 HG2 GLU A 16 8.318 13.874 1.449 1.00 1.40 H new ATOM 0 HG3 GLU A 16 8.438 15.234 0.350 1.00 1.40 H new ATOM 232 N GLN A 17 5.774 12.072 1.324 1.00 0.73 N ATOM 233 CA GLN A 17 6.077 10.666 1.586 1.00 0.71 C ATOM 234 C GLN A 17 5.481 9.741 0.526 1.00 0.57 C ATOM 235 O GLN A 17 6.196 8.937 -0.072 1.00 0.51 O ATOM 236 CB GLN A 17 5.588 10.271 2.981 1.00 0.86 C ATOM 237 CG GLN A 17 6.590 10.583 4.078 1.00 1.20 C ATOM 238 CD GLN A 17 7.019 12.035 4.084 1.00 1.35 C ATOM 239 OE1 GLN A 17 6.204 12.936 4.283 1.00 2.20 O ATOM 240 NE2 GLN A 17 8.307 12.269 3.857 1.00 1.36 N ATOM 0 H GLN A 17 5.157 12.505 2.012 1.00 0.73 H new ATOM 0 HA GLN A 17 7.160 10.550 1.540 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.654 10.792 3.192 1.00 0.86 H new ATOM 0 HB3 GLN A 17 5.367 9.204 2.993 1.00 0.86 H new ATOM 0 HG2 GLN A 17 6.153 10.334 5.045 1.00 1.20 H new ATOM 0 HG3 GLN A 17 7.468 9.950 3.953 1.00 1.20 H new ATOM 0 HE21 GLN A 17 8.946 11.490 3.697 1.00 1.36 H new ATOM 0 HE22 GLN A 17 8.656 13.227 3.843 1.00 1.36 H new ATOM 249 N VAL A 18 4.174 9.849 0.301 1.00 0.57 N ATOM 250 CA VAL A 18 3.499 9.009 -0.688 1.00 0.53 C ATOM 251 C VAL A 18 4.251 9.013 -2.016 1.00 0.49 C ATOM 252 O VAL A 18 4.278 8.008 -2.728 1.00 0.51 O ATOM 253 CB VAL A 18 2.043 9.462 -0.936 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.002 10.855 -1.542 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.320 8.466 -1.830 1.00 1.25 C ATOM 0 H VAL A 18 3.563 10.506 0.786 1.00 0.57 H new ATOM 0 HA VAL A 18 3.485 8.000 -0.277 1.00 0.53 H new ATOM 0 HB VAL A 18 1.531 9.498 0.025 1.00 0.62 H new ATOM 0 HG11 VAL A 18 0.966 11.150 -1.707 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.477 11.562 -0.862 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.534 10.854 -2.493 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.296 8.801 -1.994 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.836 8.395 -2.787 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.309 7.487 -1.350 1.00 1.25 H new ATOM 265 N ASN A 19 4.866 10.148 -2.343 1.00 0.52 N ATOM 266 CA ASN A 19 5.622 10.276 -3.583 1.00 0.57 C ATOM 267 C ASN A 19 6.951 9.537 -3.497 1.00 0.50 C ATOM 268 O ASN A 19 7.446 9.031 -4.499 1.00 0.52 O ATOM 269 CB ASN A 19 5.872 11.748 -3.916 1.00 0.72 C ATOM 270 CG ASN A 19 4.622 12.469 -4.396 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.506 11.750 -4.486 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.661 13.664 -4.686 1.00 1.71 N flip ATOM 0 H ASN A 19 4.855 10.989 -1.767 1.00 0.52 H new ATOM 0 HA ASN A 19 5.026 9.827 -4.377 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.260 12.254 -3.032 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.642 11.815 -4.685 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.537 14.181 -4.603 1.00 1.71 H new ATOM 0 HD22 ASN A 19 3.818 14.138 -5.009 1.00 1.71 H new ATOM 279 N ALA A 20 7.524 9.474 -2.297 1.00 0.49 N ATOM 280 CA ALA A 20 8.795 8.792 -2.099 1.00 0.49 C ATOM 281 C ALA A 20 8.691 7.333 -2.525 1.00 0.42 C ATOM 282 O ALA A 20 9.623 6.770 -3.100 1.00 0.48 O ATOM 283 CB ALA A 20 9.233 8.894 -0.646 1.00 0.57 C ATOM 0 H ALA A 20 7.128 9.886 -1.452 1.00 0.49 H new ATOM 0 HA ALA A 20 9.547 9.278 -2.720 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.185 8.379 -0.516 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.348 9.943 -0.373 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.481 8.433 -0.006 1.00 0.57 H new ATOM 289 N ALA A 21 7.535 6.737 -2.270 1.00 0.41 N ATOM 290 CA ALA A 21 7.299 5.357 -2.654 1.00 0.45 C ATOM 291 C ALA A 21 6.869 5.323 -4.103 1.00 0.36 C ATOM 292 O ALA A 21 7.037 4.327 -4.804 1.00 0.40 O ATOM 293 CB ALA A 21 6.239 4.717 -1.769 1.00 0.64 C ATOM 0 H ALA A 21 6.750 7.187 -1.800 1.00 0.41 H new ATOM 0 HA ALA A 21 8.219 4.786 -2.528 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.082 3.684 -2.079 1.00 0.64 H new ATOM 0 HB2 ALA A 21 6.570 4.738 -0.731 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.304 5.270 -1.863 1.00 0.64 H new ATOM 299 N LEU A 22 6.325 6.451 -4.538 1.00 0.40 N ATOM 300 CA LEU A 22 5.869 6.621 -5.902 1.00 0.47 C ATOM 301 C LEU A 22 7.064 6.728 -6.845 1.00 0.44 C ATOM 302 O LEU A 22 6.976 6.375 -8.020 1.00 0.53 O ATOM 303 CB LEU A 22 4.987 7.868 -5.990 1.00 0.64 C ATOM 304 CG LEU A 22 4.847 8.476 -7.380 1.00 1.16 C ATOM 305 CD1 LEU A 22 4.173 7.500 -8.333 1.00 1.74 C ATOM 306 CD2 LEU A 22 4.073 9.784 -7.315 1.00 1.73 C ATOM 0 H LEU A 22 6.189 7.273 -3.950 1.00 0.40 H new ATOM 0 HA LEU A 22 5.280 5.754 -6.203 1.00 0.47 H new ATOM 0 HB2 LEU A 22 3.993 7.615 -5.621 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.392 8.626 -5.320 1.00 0.64 H new ATOM 0 HG LEU A 22 5.846 8.686 -7.762 1.00 1.16 H new ATOM 0 HD11 LEU A 22 4.084 7.957 -9.319 1.00 1.74 H new ATOM 0 HD12 LEU A 22 4.771 6.592 -8.406 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.180 7.252 -7.957 1.00 1.74 H new ATOM 0 HD21 LEU A 22 3.983 10.204 -8.317 1.00 1.73 H new ATOM 0 HD22 LEU A 22 3.079 9.599 -6.909 1.00 1.73 H new ATOM 0 HD23 LEU A 22 4.602 10.488 -6.673 1.00 1.73 H new ATOM 318 N LYS A 23 8.190 7.202 -6.314 1.00 0.43 N ATOM 319 CA LYS A 23 9.408 7.334 -7.105 1.00 0.52 C ATOM 320 C LYS A 23 10.042 5.966 -7.303 1.00 0.47 C ATOM 321 O LYS A 23 10.384 5.582 -8.422 1.00 0.56 O ATOM 322 CB LYS A 23 10.404 8.276 -6.419 1.00 0.61 C ATOM 323 CG LYS A 23 9.843 9.658 -6.116 1.00 1.13 C ATOM 324 CD LYS A 23 9.294 10.336 -7.364 1.00 1.51 C ATOM 325 CE LYS A 23 10.386 10.598 -8.390 1.00 2.12 C ATOM 326 NZ LYS A 23 11.457 11.482 -7.850 1.00 2.74 N ATOM 0 H LYS A 23 8.282 7.500 -5.343 1.00 0.43 H new ATOM 0 HA LYS A 23 9.147 7.758 -8.075 1.00 0.52 H new ATOM 0 HB2 LYS A 23 10.738 7.819 -5.488 1.00 0.61 H new ATOM 0 HB3 LYS A 23 11.283 8.384 -7.054 1.00 0.61 H new ATOM 0 HG2 LYS A 23 9.051 9.573 -5.372 1.00 1.13 H new ATOM 0 HG3 LYS A 23 10.625 10.279 -5.680 1.00 1.13 H new ATOM 0 HD2 LYS A 23 8.521 9.709 -7.808 1.00 1.51 H new ATOM 0 HD3 LYS A 23 8.821 11.278 -7.088 1.00 1.51 H new ATOM 0 HE2 LYS A 23 10.823 9.650 -8.705 1.00 2.12 H new ATOM 0 HE3 LYS A 23 9.948 11.058 -9.276 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 12.049 11.828 -8.632 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 11.025 12.291 -7.359 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 12.046 10.945 -7.181 1.00 2.74 H new ATOM 340 N ALA A 24 10.182 5.228 -6.205 1.00 0.40 N ATOM 341 CA ALA A 24 10.760 3.892 -6.254 1.00 0.43 C ATOM 342 C ALA A 24 9.862 2.956 -7.045 1.00 0.38 C ATOM 343 O ALA A 24 10.341 2.129 -7.818 1.00 0.46 O ATOM 344 CB ALA A 24 10.974 3.361 -4.845 1.00 0.51 C ATOM 0 H ALA A 24 9.903 5.534 -5.273 1.00 0.40 H new ATOM 0 HA ALA A 24 11.726 3.947 -6.755 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.406 2.362 -4.895 1.00 0.51 H new ATOM 0 HB2 ALA A 24 11.651 4.023 -4.306 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.018 3.317 -4.324 1.00 0.51 H new ATOM 350 N LEU A 25 8.555 3.100 -6.856 1.00 0.43 N ATOM 351 CA LEU A 25 7.590 2.274 -7.563 1.00 0.40 C ATOM 352 C LEU A 25 7.364 2.825 -8.964 1.00 0.37 C ATOM 353 O LEU A 25 6.829 2.139 -9.836 1.00 0.45 O ATOM 354 CB LEU A 25 6.261 2.207 -6.809 1.00 0.47 C ATOM 355 CG LEU A 25 5.275 1.176 -7.343 1.00 0.56 C ATOM 356 CD1 LEU A 25 5.869 -0.213 -7.240 1.00 0.96 C ATOM 357 CD2 LEU A 25 3.971 1.258 -6.571 1.00 1.04 C ATOM 0 H LEU A 25 8.142 3.781 -6.219 1.00 0.43 H new ATOM 0 HA LEU A 25 7.993 1.264 -7.630 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.465 1.986 -5.761 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.791 3.190 -6.842 1.00 0.47 H new ATOM 0 HG LEU A 25 5.071 1.387 -8.393 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.156 -0.943 -7.624 1.00 0.96 H new ATOM 0 HD12 LEU A 25 6.788 -0.260 -7.825 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.091 -0.437 -6.197 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.271 0.518 -6.959 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.160 1.061 -5.516 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.544 2.255 -6.683 1.00 1.04 H new ATOM 369 N GLY A 26 7.795 4.065 -9.178 1.00 0.43 N ATOM 370 CA GLY A 26 7.654 4.680 -10.479 1.00 0.53 C ATOM 371 C GLY A 26 8.721 4.174 -11.409 1.00 0.56 C ATOM 372 O GLY A 26 8.474 3.924 -12.590 1.00 0.82 O ATOM 0 H GLY A 26 8.239 4.652 -8.472 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.669 4.459 -10.889 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.725 5.764 -10.387 1.00 0.53 H new ATOM 376 N ASP A 27 9.914 3.998 -10.855 1.00 0.59 N ATOM 377 CA ASP A 27 11.037 3.490 -11.612 1.00 0.76 C ATOM 378 C ASP A 27 11.717 2.350 -10.862 1.00 0.56 C ATOM 379 O ASP A 27 12.514 2.571 -9.951 1.00 0.81 O ATOM 380 CB ASP A 27 12.038 4.606 -11.871 1.00 1.35 C ATOM 381 CG ASP A 27 11.494 5.670 -12.803 1.00 2.02 C ATOM 382 OD1 ASP A 27 11.148 5.330 -13.955 1.00 2.42 O ATOM 383 OD2 ASP A 27 11.412 6.843 -12.383 1.00 2.61 O ATOM 0 H ASP A 27 10.123 4.203 -9.878 1.00 0.59 H new ATOM 0 HA ASP A 27 10.668 3.110 -12.565 1.00 0.76 H new ATOM 0 HB2 ASP A 27 12.317 5.066 -10.923 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.946 4.182 -12.299 1.00 1.35 H new ATOM 388 N ILE A 28 11.401 1.135 -11.275 1.00 0.51 N ATOM 389 CA ILE A 28 11.973 -0.067 -10.684 1.00 0.51 C ATOM 390 C ILE A 28 12.852 -0.771 -11.710 1.00 0.49 C ATOM 391 O ILE A 28 12.547 -0.728 -12.903 1.00 0.48 O ATOM 392 CB ILE A 28 10.859 -1.030 -10.220 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.756 -0.251 -9.500 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.412 -2.119 -9.314 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.670 -1.125 -8.911 1.00 1.26 C ATOM 0 H ILE A 28 10.740 0.952 -12.030 1.00 0.51 H new ATOM 0 HA ILE A 28 12.570 0.222 -9.819 1.00 0.51 H new ATOM 0 HB ILE A 28 10.439 -1.511 -11.103 1.00 0.71 H new ATOM 0 HG12 ILE A 28 10.205 0.341 -8.702 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.304 0.450 -10.201 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.603 -2.780 -9.004 1.00 0.83 H new ATOM 0 HG22 ILE A 28 12.164 -2.694 -9.854 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.866 -1.664 -8.433 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.926 -0.499 -8.418 1.00 1.26 H new ATOM 0 HD12 ILE A 28 8.193 -1.698 -9.706 1.00 1.26 H new ATOM 0 HD13 ILE A 28 9.108 -1.809 -8.184 1.00 1.26 H new ATOM 407 N PRO A 29 13.946 -1.432 -11.276 1.00 0.68 N ATOM 408 CA PRO A 29 14.853 -2.153 -12.159 1.00 0.83 C ATOM 409 C PRO A 29 14.213 -2.627 -13.466 1.00 0.70 C ATOM 410 O PRO A 29 14.795 -2.466 -14.539 1.00 0.88 O ATOM 411 CB PRO A 29 15.222 -3.334 -11.277 1.00 1.07 C ATOM 412 CG PRO A 29 15.329 -2.746 -9.906 1.00 1.14 C ATOM 413 CD PRO A 29 14.405 -1.545 -9.876 1.00 0.87 C ATOM 0 HA PRO A 29 15.683 -1.537 -12.505 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.462 -4.115 -11.318 1.00 1.07 H new ATOM 0 HB3 PRO A 29 16.162 -3.787 -11.591 1.00 1.07 H new ATOM 0 HG2 PRO A 29 15.041 -3.475 -9.148 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.356 -2.450 -9.690 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.571 -1.696 -9.191 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.926 -0.645 -9.550 1.00 0.87 H new ATOM 421 N GLU A 30 13.018 -3.210 -13.377 1.00 0.54 N ATOM 422 CA GLU A 30 12.322 -3.699 -14.564 1.00 0.58 C ATOM 423 C GLU A 30 10.821 -3.415 -14.494 1.00 0.60 C ATOM 424 O GLU A 30 10.154 -3.309 -15.523 1.00 1.01 O ATOM 425 CB GLU A 30 12.557 -5.202 -14.735 1.00 0.62 C ATOM 426 CG GLU A 30 14.019 -5.572 -14.929 1.00 0.63 C ATOM 427 CD GLU A 30 14.229 -7.067 -15.084 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.230 -7.813 -15.038 1.00 2.35 O ATOM 429 OE2 GLU A 30 15.392 -7.489 -15.252 1.00 1.66 O ATOM 0 H GLU A 30 12.515 -3.354 -12.501 1.00 0.54 H new ATOM 0 HA GLU A 30 12.727 -3.167 -15.425 1.00 0.58 H new ATOM 0 HB2 GLU A 30 12.172 -5.723 -13.858 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.985 -5.555 -15.593 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.405 -5.062 -15.812 1.00 0.63 H new ATOM 0 HG3 GLU A 30 14.596 -5.215 -14.076 1.00 0.63 H new ATOM 436 N SER A 31 10.296 -3.308 -13.279 1.00 0.36 N ATOM 437 CA SER A 31 8.870 -3.052 -13.075 1.00 0.34 C ATOM 438 C SER A 31 8.443 -1.704 -13.657 1.00 0.36 C ATOM 439 O SER A 31 9.276 -0.940 -14.149 1.00 0.46 O ATOM 440 CB SER A 31 8.552 -3.094 -11.587 1.00 0.37 C ATOM 441 OG SER A 31 7.163 -2.974 -11.366 1.00 0.83 O ATOM 0 H SER A 31 10.835 -3.394 -12.417 1.00 0.36 H new ATOM 0 HA SER A 31 8.313 -3.829 -13.599 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.913 -4.030 -11.160 1.00 0.37 H new ATOM 0 HB3 SER A 31 9.077 -2.287 -11.076 1.00 0.37 H new ATOM 0 HG SER A 31 6.677 -3.313 -12.146 1.00 0.83 H new ATOM 447 N HIS A 32 7.138 -1.409 -13.596 1.00 0.33 N ATOM 448 CA HIS A 32 6.615 -0.146 -14.116 1.00 0.39 C ATOM 449 C HIS A 32 5.202 0.128 -13.596 1.00 0.34 C ATOM 450 O HIS A 32 4.355 -0.763 -13.545 1.00 0.36 O ATOM 451 CB HIS A 32 6.640 -0.156 -15.647 1.00 0.51 C ATOM 452 CG HIS A 32 6.185 1.126 -16.276 1.00 0.94 C ATOM 453 ND1 HIS A 32 4.869 1.531 -16.295 1.00 1.83 N ATOM 454 CD2 HIS A 32 6.885 2.097 -16.909 1.00 1.60 C ATOM 455 CE1 HIS A 32 4.778 2.696 -16.914 1.00 2.29 C ATOM 456 NE2 HIS A 32 5.987 3.060 -17.295 1.00 2.07 N ATOM 0 H HIS A 32 6.432 -2.025 -13.194 1.00 0.33 H new ATOM 0 HA HIS A 32 7.256 0.661 -13.761 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.655 -0.372 -15.981 1.00 0.51 H new ATOM 0 HB3 HIS A 32 6.007 -0.968 -16.005 1.00 0.51 H new ATOM 0 HD1 HIS A 32 4.087 1.013 -15.894 1.00 1.83 H new ATOM 0 HD2 HIS A 32 7.952 2.111 -17.078 1.00 1.60 H new ATOM 0 HE1 HIS A 32 3.868 3.254 -17.079 1.00 2.29 H new ATOM 465 N ILE A 33 4.979 1.374 -13.190 1.00 0.36 N ATOM 466 CA ILE A 33 3.698 1.819 -12.639 1.00 0.36 C ATOM 467 C ILE A 33 2.559 1.772 -13.662 1.00 0.38 C ATOM 468 O ILE A 33 2.776 1.940 -14.858 1.00 0.50 O ATOM 469 CB ILE A 33 3.848 3.253 -12.076 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.949 3.213 -10.550 1.00 0.58 C ATOM 471 CG2 ILE A 33 2.704 4.161 -12.520 1.00 0.93 C ATOM 472 CD1 ILE A 33 2.688 2.734 -9.872 1.00 1.05 C ATOM 0 H ILE A 33 5.684 2.110 -13.233 1.00 0.36 H new ATOM 0 HA ILE A 33 3.430 1.126 -11.842 1.00 0.36 H new ATOM 0 HB ILE A 33 4.768 3.675 -12.480 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.774 2.560 -10.266 1.00 0.58 H new ATOM 0 HG13 ILE A 33 4.191 4.211 -10.184 1.00 0.58 H new ATOM 0 HG21 ILE A 33 2.848 5.158 -12.103 1.00 0.93 H new ATOM 0 HG22 ILE A 33 2.689 4.222 -13.608 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.757 3.753 -12.166 1.00 0.93 H new ATOM 0 HD11 ILE A 33 2.834 2.732 -8.792 1.00 1.05 H new ATOM 0 HD12 ILE A 33 1.863 3.400 -10.125 1.00 1.05 H new ATOM 0 HD13 ILE A 33 2.455 1.724 -10.209 1.00 1.05 H new ATOM 484 N LEU A 34 1.338 1.559 -13.168 1.00 0.38 N ATOM 485 CA LEU A 34 0.159 1.505 -14.030 1.00 0.50 C ATOM 486 C LEU A 34 -1.056 2.153 -13.359 1.00 0.46 C ATOM 487 O LEU A 34 -1.312 3.342 -13.545 1.00 0.60 O ATOM 488 CB LEU A 34 -0.165 0.059 -14.412 1.00 0.65 C ATOM 489 CG LEU A 34 0.859 -0.618 -15.326 1.00 1.01 C ATOM 490 CD1 LEU A 34 0.437 -2.046 -15.627 1.00 1.69 C ATOM 491 CD2 LEU A 34 1.026 0.170 -16.619 1.00 1.34 C ATOM 0 H LEU A 34 1.141 1.421 -12.177 1.00 0.38 H new ATOM 0 HA LEU A 34 0.389 2.068 -14.934 1.00 0.50 H new ATOM 0 HB2 LEU A 34 -0.258 -0.529 -13.499 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -1.137 0.039 -14.905 1.00 0.65 H new ATOM 0 HG LEU A 34 1.819 -0.641 -14.810 1.00 1.01 H new ATOM 0 HD11 LEU A 34 1.175 -2.514 -16.278 1.00 1.69 H new ATOM 0 HD12 LEU A 34 0.366 -2.608 -14.696 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -0.533 -2.042 -16.123 1.00 1.69 H new ATOM 0 HD21 LEU A 34 1.758 -0.327 -17.256 1.00 1.34 H new ATOM 0 HD22 LEU A 34 0.069 0.223 -17.139 1.00 1.34 H new ATOM 0 HD23 LEU A 34 1.370 1.178 -16.389 1.00 1.34 H new ATOM 503 N THR A 35 -1.809 1.362 -12.594 1.00 0.46 N ATOM 504 CA THR A 35 -3.003 1.865 -11.916 1.00 0.43 C ATOM 505 C THR A 35 -2.707 2.302 -10.485 1.00 0.43 C ATOM 506 O THR A 35 -2.170 1.538 -9.686 1.00 0.52 O ATOM 507 CB THR A 35 -4.102 0.800 -11.916 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.584 -0.455 -11.524 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.768 0.626 -13.264 1.00 0.72 C ATOM 0 H THR A 35 -1.614 0.374 -12.429 1.00 0.46 H new ATOM 0 HA THR A 35 -3.343 2.741 -12.468 1.00 0.43 H new ATOM 0 HB THR A 35 -4.849 1.156 -11.206 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.301 -0.997 -11.133 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.537 -0.144 -13.193 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.224 1.568 -13.569 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.023 0.328 -14.002 1.00 0.72 H new ATOM 517 N VAL A 36 -3.080 3.537 -10.172 1.00 0.40 N ATOM 518 CA VAL A 36 -2.881 4.094 -8.838 1.00 0.46 C ATOM 519 C VAL A 36 -3.830 5.263 -8.598 1.00 0.48 C ATOM 520 O VAL A 36 -3.808 6.251 -9.335 1.00 0.56 O ATOM 521 CB VAL A 36 -1.427 4.558 -8.620 1.00 0.58 C ATOM 522 CG1 VAL A 36 -1.001 5.527 -9.712 1.00 1.32 C ATOM 523 CG2 VAL A 36 -1.271 5.197 -7.247 1.00 1.45 C ATOM 0 H VAL A 36 -3.526 4.177 -10.829 1.00 0.40 H new ATOM 0 HA VAL A 36 -3.095 3.298 -8.124 1.00 0.46 H new ATOM 0 HB VAL A 36 -0.778 3.683 -8.669 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.028 5.841 -9.538 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -1.071 5.035 -10.682 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.654 6.400 -9.699 1.00 1.32 H new ATOM 0 HG21 VAL A 36 -0.238 5.518 -7.110 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -1.933 6.060 -7.170 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -1.530 4.471 -6.476 1.00 1.45 H new ATOM 533 N SER A 37 -4.665 5.151 -7.569 1.00 0.45 N ATOM 534 CA SER A 37 -5.617 6.210 -7.253 1.00 0.54 C ATOM 535 C SER A 37 -6.343 5.938 -5.940 1.00 0.57 C ATOM 536 O SER A 37 -5.972 5.038 -5.188 1.00 1.08 O ATOM 537 CB SER A 37 -6.635 6.362 -8.386 1.00 0.65 C ATOM 538 OG SER A 37 -7.359 5.161 -8.588 1.00 1.28 O ATOM 0 H SER A 37 -4.702 4.345 -6.945 1.00 0.45 H new ATOM 0 HA SER A 37 -5.054 7.137 -7.143 1.00 0.54 H new ATOM 0 HB2 SER A 37 -7.326 7.171 -8.151 1.00 0.65 H new ATOM 0 HB3 SER A 37 -6.120 6.639 -9.306 1.00 0.65 H new ATOM 0 HG SER A 37 -8.003 5.286 -9.316 1.00 1.28 H new ATOM 544 N SER A 38 -7.378 6.738 -5.682 1.00 0.59 N ATOM 545 CA SER A 38 -8.184 6.621 -4.468 1.00 0.59 C ATOM 546 C SER A 38 -7.437 7.172 -3.254 1.00 0.52 C ATOM 547 O SER A 38 -7.212 6.461 -2.273 1.00 0.63 O ATOM 548 CB SER A 38 -8.613 5.167 -4.228 1.00 0.78 C ATOM 549 OG SER A 38 -9.378 5.049 -3.041 1.00 1.68 O ATOM 0 H SER A 38 -7.680 7.484 -6.308 1.00 0.59 H new ATOM 0 HA SER A 38 -9.083 7.220 -4.610 1.00 0.59 H new ATOM 0 HB2 SER A 38 -9.197 4.812 -5.077 1.00 0.78 H new ATOM 0 HB3 SER A 38 -7.730 4.531 -4.160 1.00 0.78 H new ATOM 0 HG SER A 38 -8.812 5.249 -2.266 1.00 1.68 H new ATOM 555 N PHE A 39 -7.067 8.452 -3.322 1.00 0.44 N ATOM 556 CA PHE A 39 -6.360 9.111 -2.226 1.00 0.50 C ATOM 557 C PHE A 39 -7.345 9.516 -1.134 1.00 0.57 C ATOM 558 O PHE A 39 -7.883 10.626 -1.138 1.00 0.75 O ATOM 559 CB PHE A 39 -5.598 10.342 -2.729 1.00 0.59 C ATOM 560 CG PHE A 39 -4.471 10.020 -3.675 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.696 9.279 -4.826 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.185 10.461 -3.409 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.659 8.983 -5.691 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.145 10.168 -4.269 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.382 9.429 -5.413 1.00 1.26 C ATOM 0 H PHE A 39 -7.246 9.053 -4.127 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.639 8.406 -1.813 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.298 11.011 -3.229 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.196 10.883 -1.872 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.693 8.929 -5.049 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -2.993 11.041 -2.518 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.847 8.404 -6.583 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.147 10.516 -4.048 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.570 9.201 -6.088 1.00 1.26 H new ATOM 575 N TYR A 40 -7.592 8.598 -0.214 1.00 0.65 N ATOM 576 CA TYR A 40 -8.532 8.834 0.872 1.00 0.81 C ATOM 577 C TYR A 40 -7.825 9.143 2.187 1.00 0.71 C ATOM 578 O TYR A 40 -6.599 9.079 2.288 1.00 0.71 O ATOM 579 CB TYR A 40 -9.421 7.608 1.045 1.00 1.01 C ATOM 580 CG TYR A 40 -8.633 6.331 0.983 1.00 1.49 C ATOM 581 CD1 TYR A 40 -7.615 6.082 1.888 1.00 1.73 C ATOM 582 CD2 TYR A 40 -8.934 5.355 0.043 1.00 2.39 C ATOM 583 CE1 TYR A 40 -6.920 4.895 1.859 1.00 2.61 C ATOM 584 CE2 TYR A 40 -8.239 4.172 0.003 1.00 3.35 C ATOM 585 CZ TYR A 40 -7.128 4.018 0.824 1.00 3.41 C ATOM 586 OH TYR A 40 -6.562 2.759 0.890 1.00 4.43 O ATOM 0 H TYR A 40 -7.153 7.678 -0.197 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.132 9.705 0.610 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -9.940 7.668 2.002 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -10.185 7.601 0.268 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -7.363 6.829 2.626 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -9.728 5.529 -0.668 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -6.217 4.656 2.643 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -8.550 3.374 -0.655 1.00 3.35 H new ATOM 0 HH TYR A 40 -5.688 2.816 1.330 1.00 4.43 H new ATOM 596 N ARG A 41 -8.632 9.454 3.193 1.00 0.70 N ATOM 597 CA ARG A 41 -8.137 9.757 4.530 1.00 0.67 C ATOM 598 C ARG A 41 -8.331 8.548 5.444 1.00 0.64 C ATOM 599 O ARG A 41 -9.181 7.698 5.180 1.00 0.70 O ATOM 600 CB ARG A 41 -8.871 10.972 5.103 1.00 0.79 C ATOM 601 CG ARG A 41 -8.393 11.379 6.489 1.00 0.95 C ATOM 602 CD ARG A 41 -9.179 12.564 7.026 1.00 1.52 C ATOM 603 NE ARG A 41 -9.061 13.735 6.159 1.00 2.11 N ATOM 604 CZ ARG A 41 -9.652 14.901 6.410 1.00 2.49 C ATOM 605 NH1 ARG A 41 -10.387 15.057 7.503 1.00 2.37 N ATOM 606 NH2 ARG A 41 -9.504 15.912 5.566 1.00 3.51 N ATOM 0 H ARG A 41 -9.647 9.503 3.106 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.074 9.988 4.468 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -8.745 11.815 4.423 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.938 10.753 5.146 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.494 10.535 7.172 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -7.334 11.632 6.449 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -10.229 12.289 7.123 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -8.821 12.814 8.025 1.00 1.52 H new ATOM 0 HE ARG A 41 -8.494 13.654 5.315 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -10.501 14.282 8.156 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -10.838 15.952 7.691 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -8.938 15.796 4.725 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -9.956 16.806 5.757 1.00 3.51 H new ATOM 620 N THR A 42 -7.542 8.469 6.512 1.00 0.80 N ATOM 621 CA THR A 42 -7.643 7.348 7.444 1.00 0.97 C ATOM 622 C THR A 42 -7.178 7.744 8.846 1.00 1.03 C ATOM 623 O THR A 42 -6.133 8.376 9.006 1.00 1.12 O ATOM 624 CB THR A 42 -6.819 6.164 6.936 1.00 1.17 C ATOM 625 OG1 THR A 42 -7.288 5.735 5.670 1.00 1.44 O ATOM 626 CG2 THR A 42 -6.849 4.967 7.863 1.00 1.32 C ATOM 0 H THR A 42 -6.832 9.160 6.753 1.00 0.80 H new ATOM 0 HA THR A 42 -8.692 7.058 7.505 1.00 0.97 H new ATOM 0 HB THR A 42 -5.794 6.531 6.878 1.00 1.17 H new ATOM 0 HG1 THR A 42 -6.626 5.139 5.261 1.00 1.44 H new ATOM 0 HG21 THR A 42 -6.244 4.165 7.441 1.00 1.32 H new ATOM 0 HG22 THR A 42 -6.448 5.250 8.836 1.00 1.32 H new ATOM 0 HG23 THR A 42 -7.877 4.623 7.980 1.00 1.32 H new ATOM 634 N PRO A 43 -7.949 7.372 9.885 1.00 1.12 N ATOM 635 CA PRO A 43 -7.614 7.683 11.271 1.00 1.31 C ATOM 636 C PRO A 43 -6.697 6.627 11.895 1.00 1.50 C ATOM 637 O PRO A 43 -7.080 5.466 12.029 1.00 1.71 O ATOM 638 CB PRO A 43 -8.981 7.674 11.948 1.00 1.48 C ATOM 639 CG PRO A 43 -9.771 6.655 11.195 1.00 1.38 C ATOM 640 CD PRO A 43 -9.215 6.617 9.791 1.00 1.15 C ATOM 0 HA PRO A 43 -7.070 8.622 11.373 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -8.899 7.411 13.003 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -9.453 8.655 11.900 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -9.690 5.677 11.669 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -10.829 6.917 11.184 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -9.045 5.593 9.457 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -9.901 7.075 9.078 1.00 1.15 H new ATOM 648 N PRO A 44 -5.466 7.016 12.281 1.00 1.55 N ATOM 649 CA PRO A 44 -4.498 6.090 12.887 1.00 1.80 C ATOM 650 C PRO A 44 -5.060 5.376 14.112 1.00 2.15 C ATOM 651 O PRO A 44 -5.281 4.165 14.088 1.00 2.77 O ATOM 652 CB PRO A 44 -3.332 6.999 13.286 1.00 1.80 C ATOM 653 CG PRO A 44 -3.446 8.180 12.387 1.00 1.81 C ATOM 654 CD PRO A 44 -4.917 8.379 12.155 1.00 1.54 C ATOM 0 HA PRO A 44 -4.218 5.292 12.199 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -3.399 7.292 14.334 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -2.375 6.494 13.157 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -2.999 9.063 12.844 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -2.922 8.008 11.447 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -5.352 9.058 12.889 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.116 8.804 11.171 1.00 1.54 H new ATOM 662 N LEU A 45 -5.286 6.136 15.182 1.00 2.16 N ATOM 663 CA LEU A 45 -5.822 5.580 16.422 1.00 2.52 C ATOM 664 C LEU A 45 -4.907 4.489 16.974 1.00 2.69 C ATOM 665 O LEU A 45 -5.280 3.316 17.018 1.00 3.09 O ATOM 666 CB LEU A 45 -7.230 5.019 16.192 1.00 2.75 C ATOM 667 CG LEU A 45 -8.262 6.031 15.693 1.00 3.05 C ATOM 668 CD1 LEU A 45 -9.596 5.348 15.432 1.00 3.66 C ATOM 669 CD2 LEU A 45 -8.432 7.162 16.697 1.00 3.32 C ATOM 0 H LEU A 45 -5.106 7.139 15.215 1.00 2.16 H new ATOM 0 HA LEU A 45 -5.877 6.385 17.155 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -7.166 4.204 15.471 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -7.589 4.589 17.127 1.00 2.75 H new ATOM 0 HG LEU A 45 -7.901 6.454 14.756 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -10.318 6.084 15.078 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -9.466 4.573 14.676 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -9.961 4.897 16.355 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -9.170 7.872 16.324 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -8.769 6.755 17.650 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -7.478 7.671 16.837 1.00 3.32 H new ATOM 681 N GLY A 46 -3.709 4.883 17.396 1.00 2.52 N ATOM 682 CA GLY A 46 -2.763 3.926 17.941 1.00 2.73 C ATOM 683 C GLY A 46 -1.318 4.328 17.704 1.00 2.68 C ATOM 684 O GLY A 46 -0.635 4.762 18.631 1.00 2.81 O ATOM 0 H GLY A 46 -3.377 5.847 17.370 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -2.935 3.821 19.012 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -2.942 2.949 17.492 1.00 2.73 H new ATOM 688 N PRO A 47 -0.819 4.192 16.463 1.00 2.59 N ATOM 689 CA PRO A 47 0.563 4.547 16.125 1.00 2.65 C ATOM 690 C PRO A 47 0.806 6.053 16.165 1.00 2.60 C ATOM 691 O PRO A 47 1.931 6.502 16.384 1.00 2.86 O ATOM 692 CB PRO A 47 0.728 4.019 14.697 1.00 2.59 C ATOM 693 CG PRO A 47 -0.652 4.003 14.139 1.00 2.63 C ATOM 694 CD PRO A 47 -1.561 3.681 15.293 1.00 2.54 C ATOM 0 HA PRO A 47 1.274 4.126 16.836 1.00 2.65 H new ATOM 0 HB2 PRO A 47 1.385 4.661 14.111 1.00 2.59 H new ATOM 0 HB3 PRO A 47 1.169 3.022 14.692 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -0.906 4.967 13.699 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -0.745 3.258 13.349 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -2.531 4.167 15.188 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -1.748 2.610 15.371 1.00 2.54 H new ATOM 702 N GLN A 48 -0.253 6.826 15.952 1.00 2.39 N ATOM 703 CA GLN A 48 -0.152 8.282 15.963 1.00 2.50 C ATOM 704 C GLN A 48 -1.219 8.898 16.862 1.00 2.40 C ATOM 705 O GLN A 48 -1.932 8.187 17.571 1.00 2.57 O ATOM 706 CB GLN A 48 -0.282 8.829 14.539 1.00 2.56 C ATOM 707 CG GLN A 48 0.805 8.334 13.597 1.00 2.73 C ATOM 708 CD GLN A 48 0.656 8.864 12.180 1.00 2.73 C ATOM 709 OE1 GLN A 48 1.455 8.541 11.302 1.00 3.26 O ATOM 710 NE2 GLN A 48 -0.365 9.683 11.948 1.00 2.45 N ATOM 0 H GLN A 48 -1.191 6.470 15.770 1.00 2.39 H new ATOM 0 HA GLN A 48 0.826 8.553 16.362 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -1.255 8.547 14.138 1.00 2.56 H new ATOM 0 HB3 GLN A 48 -0.254 9.918 14.573 1.00 2.56 H new ATOM 0 HG2 GLN A 48 1.778 8.630 13.988 1.00 2.73 H new ATOM 0 HG3 GLN A 48 0.789 7.244 13.574 1.00 2.73 H new ATOM 0 HE21 GLN A 48 -1.005 9.926 12.704 1.00 2.45 H new ATOM 0 HE22 GLN A 48 -0.508 10.068 11.014 1.00 2.45 H new ATOM 719 N ASP A 49 -1.321 10.223 16.833 1.00 2.45 N ATOM 720 CA ASP A 49 -2.300 10.934 17.650 1.00 2.47 C ATOM 721 C ASP A 49 -3.053 11.976 16.827 1.00 2.38 C ATOM 722 O ASP A 49 -4.173 12.359 17.169 1.00 2.57 O ATOM 723 CB ASP A 49 -1.611 11.601 18.843 1.00 2.79 C ATOM 724 CG ASP A 49 -0.512 12.558 18.421 1.00 2.83 C ATOM 725 OD1 ASP A 49 -0.823 13.546 17.723 1.00 3.02 O ATOM 726 OD2 ASP A 49 0.657 12.321 18.789 1.00 3.28 O ATOM 0 H ASP A 49 -0.738 10.827 16.253 1.00 2.45 H new ATOM 0 HA ASP A 49 -3.023 10.206 18.018 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -2.353 12.142 19.431 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -1.190 10.832 19.491 1.00 2.79 H new ATOM 731 N GLN A 50 -2.436 12.426 15.739 1.00 2.26 N ATOM 732 CA GLN A 50 -3.051 13.419 14.863 1.00 2.39 C ATOM 733 C GLN A 50 -3.550 12.779 13.566 1.00 2.01 C ATOM 734 O GLN A 50 -2.773 12.527 12.646 1.00 2.19 O ATOM 735 CB GLN A 50 -2.068 14.558 14.563 1.00 3.08 C ATOM 736 CG GLN A 50 -0.601 14.150 14.626 1.00 3.45 C ATOM 737 CD GLN A 50 -0.229 13.098 13.599 1.00 3.73 C ATOM 738 OE1 GLN A 50 0.193 11.933 14.076 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 -0.317 13.329 12.395 1.00 3.74 N flip ATOM 0 H GLN A 50 -1.510 12.119 15.442 1.00 2.26 H new ATOM 0 HA GLN A 50 -3.914 13.836 15.383 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -2.281 14.955 13.570 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -2.239 15.367 15.273 1.00 3.08 H new ATOM 0 HG2 GLN A 50 0.022 15.032 14.475 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -0.379 13.770 15.623 1.00 3.45 H new ATOM 0 HE21 GLN A 50 -0.646 14.239 12.073 1.00 3.74 H new ATOM 0 HE22 GLN A 50 -0.061 12.611 11.718 1.00 3.74 H new ATOM 748 N PRO A 51 -4.864 12.495 13.484 1.00 1.98 N ATOM 749 CA PRO A 51 -5.470 11.871 12.300 1.00 2.00 C ATOM 750 C PRO A 51 -5.128 12.598 11.002 1.00 1.82 C ATOM 751 O PRO A 51 -5.559 13.729 10.779 1.00 2.47 O ATOM 752 CB PRO A 51 -6.972 11.959 12.580 1.00 2.71 C ATOM 753 CG PRO A 51 -7.074 11.998 14.063 1.00 2.89 C ATOM 754 CD PRO A 51 -5.864 12.751 14.540 1.00 2.51 C ATOM 0 HA PRO A 51 -5.104 10.855 12.153 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -7.408 12.850 12.129 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -7.503 11.101 12.168 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -7.992 12.494 14.378 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -7.097 10.991 14.479 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -6.070 13.816 14.649 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -5.524 12.392 15.511 1.00 2.51 H new ATOM 762 N ASP A 52 -4.357 11.930 10.149 1.00 1.32 N ATOM 763 CA ASP A 52 -3.956 12.496 8.865 1.00 1.52 C ATOM 764 C ASP A 52 -3.239 11.446 8.019 1.00 1.28 C ATOM 765 O ASP A 52 -2.222 11.729 7.386 1.00 2.07 O ATOM 766 CB ASP A 52 -3.049 13.713 9.071 1.00 2.12 C ATOM 767 CG ASP A 52 -1.768 13.373 9.809 1.00 2.77 C ATOM 768 OD1 ASP A 52 -1.597 12.200 10.203 1.00 3.33 O ATOM 769 OD2 ASP A 52 -0.933 14.285 9.996 1.00 3.26 O ATOM 0 H ASP A 52 -3.996 10.992 10.325 1.00 1.32 H new ATOM 0 HA ASP A 52 -4.855 12.817 8.339 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -2.801 14.144 8.101 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -3.593 14.476 9.629 1.00 2.12 H new ATOM 774 N TYR A 53 -3.780 10.232 8.020 1.00 0.84 N ATOM 775 CA TYR A 53 -3.200 9.136 7.260 1.00 1.19 C ATOM 776 C TYR A 53 -3.839 9.055 5.879 1.00 0.96 C ATOM 777 O TYR A 53 -4.969 8.594 5.733 1.00 1.43 O ATOM 778 CB TYR A 53 -3.396 7.814 8.010 1.00 2.08 C ATOM 779 CG TYR A 53 -2.599 6.657 7.447 1.00 3.12 C ATOM 780 CD1 TYR A 53 -1.213 6.711 7.375 1.00 3.74 C ATOM 781 CD2 TYR A 53 -3.235 5.511 6.985 1.00 3.88 C ATOM 782 CE1 TYR A 53 -0.484 5.656 6.860 1.00 4.86 C ATOM 783 CE2 TYR A 53 -2.514 4.452 6.469 1.00 5.03 C ATOM 784 CZ TYR A 53 -1.130 4.531 6.416 1.00 5.45 C ATOM 785 OH TYR A 53 -0.416 3.477 5.893 1.00 6.66 O ATOM 0 H TYR A 53 -4.621 9.984 8.541 1.00 0.84 H new ATOM 0 HA TYR A 53 -2.132 9.319 7.141 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -3.119 7.957 9.054 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -4.454 7.554 7.994 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -0.697 7.592 7.727 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -4.312 5.447 7.030 1.00 3.88 H new ATOM 0 HE1 TYR A 53 0.593 5.718 6.807 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -3.023 3.570 6.110 1.00 5.03 H new ATOM 0 HH TYR A 53 -1.033 2.763 5.629 1.00 6.66 H new ATOM 795 N LEU A 54 -3.108 9.509 4.871 1.00 0.84 N ATOM 796 CA LEU A 54 -3.597 9.493 3.499 1.00 0.76 C ATOM 797 C LEU A 54 -2.866 8.435 2.696 1.00 0.76 C ATOM 798 O LEU A 54 -1.671 8.218 2.892 1.00 0.98 O ATOM 799 CB LEU A 54 -3.408 10.870 2.860 1.00 0.97 C ATOM 800 CG LEU A 54 -3.742 10.963 1.365 1.00 1.15 C ATOM 801 CD1 LEU A 54 -4.027 12.400 0.986 1.00 1.60 C ATOM 802 CD2 LEU A 54 -2.601 10.425 0.512 1.00 1.60 C ATOM 0 H LEU A 54 -2.170 9.895 4.978 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.660 9.252 3.505 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -4.028 11.587 3.397 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -2.372 11.176 3.001 1.00 0.97 H new ATOM 0 HG LEU A 54 -4.627 10.354 1.179 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -4.263 12.456 -0.077 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -4.874 12.768 1.566 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -3.150 13.012 1.196 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -2.866 10.504 -0.542 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -1.699 11.006 0.703 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -2.420 9.380 0.763 1.00 1.60 H new ATOM 814 N ASN A 55 -3.574 7.776 1.788 1.00 0.60 N ATOM 815 CA ASN A 55 -2.947 6.741 0.982 1.00 0.66 C ATOM 816 C ASN A 55 -3.853 6.256 -0.144 1.00 0.50 C ATOM 817 O ASN A 55 -5.034 6.598 -0.200 1.00 0.56 O ATOM 818 CB ASN A 55 -2.531 5.590 1.884 1.00 0.87 C ATOM 819 CG ASN A 55 -3.690 5.017 2.669 1.00 1.51 C ATOM 820 OD1 ASN A 55 -3.960 3.736 2.466 1.00 2.21 O flip ATOM 821 ND2 ASN A 55 -4.333 5.715 3.453 1.00 2.21 N flip ATOM 0 H ASN A 55 -4.563 7.936 1.594 1.00 0.60 H new ATOM 0 HA ASN A 55 -2.066 7.167 0.503 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -2.083 4.802 1.278 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -1.763 5.935 2.577 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -4.090 6.698 3.578 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -5.109 5.311 3.977 1.00 2.21 H new ATOM 828 N ALA A 56 -3.276 5.468 -1.048 1.00 0.50 N ATOM 829 CA ALA A 56 -4.014 4.945 -2.192 1.00 0.45 C ATOM 830 C ALA A 56 -3.554 3.534 -2.556 1.00 0.45 C ATOM 831 O ALA A 56 -2.741 2.936 -1.851 1.00 0.61 O ATOM 832 CB ALA A 56 -3.853 5.877 -3.383 1.00 0.58 C ATOM 0 H ALA A 56 -2.299 5.178 -1.009 1.00 0.50 H new ATOM 0 HA ALA A 56 -5.068 4.890 -1.919 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -4.407 5.480 -4.233 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -4.239 6.864 -3.128 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -2.797 5.956 -3.643 1.00 0.58 H new ATOM 838 N ALA A 57 -4.077 3.013 -3.667 1.00 0.43 N ATOM 839 CA ALA A 57 -3.717 1.675 -4.129 1.00 0.47 C ATOM 840 C ALA A 57 -2.900 1.738 -5.394 1.00 0.40 C ATOM 841 O ALA A 57 -2.991 2.698 -6.163 1.00 0.44 O ATOM 842 CB ALA A 57 -4.952 0.827 -4.362 1.00 0.59 C ATOM 0 H ALA A 57 -4.750 3.497 -4.261 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.116 1.213 -3.345 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -4.654 -0.164 -4.705 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.511 0.735 -3.431 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.580 1.299 -5.117 1.00 0.59 H new ATOM 848 N VAL A 58 -2.101 0.703 -5.601 1.00 0.39 N ATOM 849 CA VAL A 58 -1.261 0.627 -6.766 1.00 0.39 C ATOM 850 C VAL A 58 -1.209 -0.782 -7.323 1.00 0.40 C ATOM 851 O VAL A 58 -1.117 -1.765 -6.591 1.00 0.60 O ATOM 852 CB VAL A 58 0.174 1.076 -6.457 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.018 1.009 -7.715 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.187 2.477 -5.867 1.00 1.22 C ATOM 0 H VAL A 58 -2.023 -0.094 -4.970 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.702 1.297 -7.504 1.00 0.39 H new ATOM 0 HB VAL A 58 0.601 0.401 -5.715 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.035 1.329 -7.488 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.034 -0.015 -8.088 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.592 1.665 -8.474 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.215 2.774 -5.656 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.254 3.175 -6.578 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.391 2.488 -4.943 1.00 1.22 H new ATOM 864 N ALA A 59 -1.228 -0.852 -8.634 1.00 0.34 N ATOM 865 CA ALA A 59 -1.137 -2.111 -9.343 1.00 0.36 C ATOM 866 C ALA A 59 -0.132 -1.956 -10.467 1.00 0.37 C ATOM 867 O ALA A 59 -0.472 -1.522 -11.569 1.00 0.43 O ATOM 868 CB ALA A 59 -2.496 -2.537 -9.875 1.00 0.44 C ATOM 0 H ALA A 59 -1.307 -0.037 -9.242 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.804 -2.894 -8.662 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.399 -3.486 -10.403 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.192 -2.654 -9.044 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.873 -1.777 -10.560 1.00 0.44 H new ATOM 874 N LEU A 60 1.111 -2.281 -10.164 1.00 0.37 N ATOM 875 CA LEU A 60 2.191 -2.149 -11.129 1.00 0.45 C ATOM 876 C LEU A 60 2.770 -3.511 -11.507 1.00 0.39 C ATOM 877 O LEU A 60 2.725 -4.456 -10.720 1.00 0.38 O ATOM 878 CB LEU A 60 3.269 -1.213 -10.556 1.00 0.56 C ATOM 879 CG LEU A 60 4.708 -1.721 -10.611 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.679 -0.557 -10.511 1.00 0.44 C ATOM 881 CD2 LEU A 60 4.963 -2.717 -9.486 1.00 0.98 C ATOM 0 H LEU A 60 1.400 -2.640 -9.254 1.00 0.37 H new ATOM 0 HA LEU A 60 1.798 -1.713 -12.048 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.220 -0.266 -11.094 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.021 -1.002 -9.516 1.00 0.56 H new ATOM 0 HG LEU A 60 4.862 -2.226 -11.564 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.702 -0.932 -10.551 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.511 0.129 -11.341 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.522 -0.032 -9.569 1.00 0.44 H new ATOM 0 HD21 LEU A 60 5.993 -3.070 -9.539 1.00 0.98 H new ATOM 0 HD22 LEU A 60 4.795 -2.231 -8.525 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.284 -3.563 -9.588 1.00 0.98 H new ATOM 893 N GLU A 61 3.306 -3.600 -12.722 1.00 0.39 N ATOM 894 CA GLU A 61 3.886 -4.846 -13.212 1.00 0.38 C ATOM 895 C GLU A 61 5.358 -4.949 -12.852 1.00 0.36 C ATOM 896 O GLU A 61 6.202 -4.295 -13.464 1.00 0.38 O ATOM 897 CB GLU A 61 3.729 -4.949 -14.729 1.00 0.44 C ATOM 898 CG GLU A 61 2.293 -4.834 -15.194 1.00 1.08 C ATOM 899 CD GLU A 61 2.130 -5.151 -16.668 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.463 -6.284 -17.073 1.00 1.39 O ATOM 901 OE2 GLU A 61 1.671 -4.264 -17.418 1.00 1.24 O ATOM 0 H GLU A 61 3.350 -2.825 -13.384 1.00 0.39 H new ATOM 0 HA GLU A 61 3.351 -5.666 -12.733 1.00 0.38 H new ATOM 0 HB2 GLU A 61 4.320 -4.165 -15.202 1.00 0.44 H new ATOM 0 HB3 GLU A 61 4.137 -5.902 -15.065 1.00 0.44 H new ATOM 0 HG2 GLU A 61 1.670 -5.511 -14.610 1.00 1.08 H new ATOM 0 HG3 GLU A 61 1.932 -3.824 -15.001 1.00 1.08 H new ATOM 908 N THR A 62 5.664 -5.786 -11.868 1.00 0.39 N ATOM 909 CA THR A 62 7.029 -5.985 -11.442 1.00 0.43 C ATOM 910 C THR A 62 7.573 -7.291 -11.987 1.00 0.39 C ATOM 911 O THR A 62 6.852 -8.090 -12.584 1.00 0.43 O ATOM 912 CB THR A 62 7.122 -5.982 -9.911 1.00 0.54 C ATOM 913 OG1 THR A 62 8.422 -6.345 -9.483 1.00 1.47 O ATOM 914 CG2 THR A 62 6.140 -6.924 -9.249 1.00 1.02 C ATOM 0 H THR A 62 4.977 -6.336 -11.353 1.00 0.39 H new ATOM 0 HA THR A 62 7.628 -5.163 -11.833 1.00 0.43 H new ATOM 0 HB THR A 62 6.881 -4.962 -9.612 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.369 -6.776 -8.604 1.00 1.47 H new ATOM 0 HG21 THR A 62 6.259 -6.872 -8.167 1.00 1.02 H new ATOM 0 HG22 THR A 62 5.123 -6.636 -9.516 1.00 1.02 H new ATOM 0 HG23 THR A 62 6.329 -7.943 -9.587 1.00 1.02 H new ATOM 922 N SER A 63 8.846 -7.498 -11.741 1.00 0.40 N ATOM 923 CA SER A 63 9.538 -8.703 -12.153 1.00 0.44 C ATOM 924 C SER A 63 10.265 -9.232 -10.940 1.00 0.44 C ATOM 925 O SER A 63 10.671 -10.392 -10.867 1.00 0.64 O ATOM 926 CB SER A 63 10.516 -8.400 -13.287 1.00 0.56 C ATOM 927 OG SER A 63 9.830 -7.972 -14.451 1.00 1.23 O ATOM 0 H SER A 63 9.438 -6.831 -11.245 1.00 0.40 H new ATOM 0 HA SER A 63 8.834 -9.445 -12.530 1.00 0.44 H new ATOM 0 HB2 SER A 63 11.218 -7.628 -12.970 1.00 0.56 H new ATOM 0 HB3 SER A 63 11.103 -9.290 -13.513 1.00 0.56 H new ATOM 0 HG SER A 63 10.478 -7.783 -15.162 1.00 1.23 H new ATOM 933 N LEU A 64 10.378 -8.334 -9.976 1.00 0.39 N ATOM 934 CA LEU A 64 10.995 -8.595 -8.709 1.00 0.38 C ATOM 935 C LEU A 64 9.903 -8.687 -7.653 1.00 0.35 C ATOM 936 O LEU A 64 9.434 -7.666 -7.150 1.00 0.39 O ATOM 937 CB LEU A 64 11.968 -7.457 -8.404 1.00 0.42 C ATOM 938 CG LEU A 64 11.574 -6.099 -8.993 1.00 0.50 C ATOM 939 CD1 LEU A 64 10.918 -5.224 -7.943 1.00 0.78 C ATOM 940 CD2 LEU A 64 12.788 -5.403 -9.590 1.00 0.84 C ATOM 0 H LEU A 64 10.030 -7.380 -10.067 1.00 0.39 H new ATOM 0 HA LEU A 64 11.549 -9.534 -8.719 1.00 0.38 H new ATOM 0 HB2 LEU A 64 12.059 -7.356 -7.323 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.953 -7.729 -8.782 1.00 0.42 H new ATOM 0 HG LEU A 64 10.850 -6.271 -9.789 1.00 0.50 H new ATOM 0 HD11 LEU A 64 10.647 -4.265 -8.386 1.00 0.78 H new ATOM 0 HD12 LEU A 64 10.021 -5.717 -7.568 1.00 0.78 H new ATOM 0 HD13 LEU A 64 11.613 -5.060 -7.120 1.00 0.78 H new ATOM 0 HD21 LEU A 64 12.489 -4.440 -10.004 1.00 0.84 H new ATOM 0 HD22 LEU A 64 13.537 -5.247 -8.813 1.00 0.84 H new ATOM 0 HD23 LEU A 64 13.210 -6.022 -10.382 1.00 0.84 H new ATOM 952 N ALA A 65 9.483 -9.916 -7.356 1.00 0.38 N ATOM 953 CA ALA A 65 8.418 -10.166 -6.385 1.00 0.42 C ATOM 954 C ALA A 65 8.445 -9.153 -5.245 1.00 0.39 C ATOM 955 O ALA A 65 9.510 -8.665 -4.878 1.00 0.38 O ATOM 956 CB ALA A 65 8.532 -11.578 -5.833 1.00 0.52 C ATOM 0 H ALA A 65 9.868 -10.761 -7.778 1.00 0.38 H new ATOM 0 HA ALA A 65 7.465 -10.057 -6.903 1.00 0.42 H new ATOM 0 HB1 ALA A 65 7.734 -11.752 -5.111 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.446 -12.296 -6.649 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.498 -11.700 -5.342 1.00 0.52 H new ATOM 962 N PRO A 66 7.269 -8.826 -4.672 1.00 0.44 N ATOM 963 CA PRO A 66 7.145 -7.871 -3.570 1.00 0.47 C ATOM 964 C PRO A 66 8.328 -7.902 -2.630 1.00 0.45 C ATOM 965 O PRO A 66 8.706 -6.881 -2.071 1.00 0.49 O ATOM 966 CB PRO A 66 5.896 -8.359 -2.872 1.00 0.55 C ATOM 967 CG PRO A 66 5.030 -8.785 -3.995 1.00 0.57 C ATOM 968 CD PRO A 66 5.949 -9.357 -5.051 1.00 0.50 C ATOM 0 HA PRO A 66 7.102 -6.837 -3.913 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.110 -9.184 -2.192 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.431 -7.571 -2.280 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.306 -9.530 -3.666 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.463 -7.942 -4.389 1.00 0.57 H new ATOM 0 HD2 PRO A 66 5.937 -10.447 -5.047 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.659 -9.038 -6.052 1.00 0.50 H new ATOM 976 N GLU A 67 8.931 -9.069 -2.473 1.00 0.45 N ATOM 977 CA GLU A 67 10.094 -9.180 -1.621 1.00 0.49 C ATOM 978 C GLU A 67 11.080 -8.079 -2.008 1.00 0.44 C ATOM 979 O GLU A 67 11.470 -7.252 -1.187 1.00 0.47 O ATOM 980 CB GLU A 67 10.724 -10.561 -1.780 1.00 0.52 C ATOM 981 CG GLU A 67 9.736 -11.694 -1.555 1.00 0.71 C ATOM 982 CD GLU A 67 10.341 -13.059 -1.812 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.329 -13.408 -1.135 1.00 1.06 O ATOM 984 OE2 GLU A 67 9.824 -13.781 -2.692 1.00 1.20 O ATOM 0 H GLU A 67 8.637 -9.938 -2.919 1.00 0.45 H new ATOM 0 HA GLU A 67 9.813 -9.061 -0.574 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.147 -10.648 -2.781 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.550 -10.661 -1.075 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.369 -11.652 -0.530 1.00 0.71 H new ATOM 0 HG3 GLU A 67 8.875 -11.554 -2.208 1.00 0.71 H new ATOM 991 N GLU A 68 11.438 -8.056 -3.288 1.00 0.40 N ATOM 992 CA GLU A 68 12.344 -7.049 -3.828 1.00 0.39 C ATOM 993 C GLU A 68 11.604 -5.742 -4.085 1.00 0.35 C ATOM 994 O GLU A 68 12.077 -4.665 -3.727 1.00 0.40 O ATOM 995 CB GLU A 68 12.941 -7.536 -5.142 1.00 0.41 C ATOM 996 CG GLU A 68 13.278 -9.014 -5.143 1.00 0.97 C ATOM 997 CD GLU A 68 14.107 -9.429 -6.344 1.00 1.52 C ATOM 998 OE1 GLU A 68 14.471 -8.548 -7.151 1.00 1.90 O ATOM 999 OE2 GLU A 68 14.399 -10.636 -6.473 1.00 2.06 O ATOM 0 H GLU A 68 11.110 -8.732 -3.977 1.00 0.40 H new ATOM 0 HA GLU A 68 13.135 -6.880 -3.097 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.238 -7.331 -5.949 1.00 0.41 H new ATOM 0 HB3 GLU A 68 13.845 -6.965 -5.355 1.00 0.41 H new ATOM 0 HG2 GLU A 68 13.822 -9.258 -4.230 1.00 0.97 H new ATOM 0 HG3 GLU A 68 12.354 -9.592 -5.128 1.00 0.97 H new ATOM 1006 N LEU A 69 10.443 -5.853 -4.723 1.00 0.32 N ATOM 1007 CA LEU A 69 9.625 -4.692 -5.050 1.00 0.33 C ATOM 1008 C LEU A 69 9.463 -3.771 -3.846 1.00 0.34 C ATOM 1009 O LEU A 69 9.598 -2.553 -3.965 1.00 0.44 O ATOM 1010 CB LEU A 69 8.263 -5.150 -5.580 1.00 0.38 C ATOM 1011 CG LEU A 69 7.078 -4.243 -5.225 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.106 -2.986 -6.075 1.00 0.66 C ATOM 1013 CD2 LEU A 69 5.753 -4.984 -5.390 1.00 0.67 C ATOM 0 H LEU A 69 10.046 -6.743 -5.025 1.00 0.32 H new ATOM 0 HA LEU A 69 10.131 -4.120 -5.828 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.324 -5.231 -6.665 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.061 -6.150 -5.196 1.00 0.38 H new ATOM 0 HG LEU A 69 7.167 -3.954 -4.178 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.260 -2.351 -5.813 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.035 -2.445 -5.894 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.043 -3.258 -7.129 1.00 0.66 H new ATOM 0 HD21 LEU A 69 4.929 -4.318 -5.132 1.00 0.67 H new ATOM 0 HD22 LEU A 69 5.645 -5.311 -6.424 1.00 0.67 H new ATOM 0 HD23 LEU A 69 5.737 -5.853 -4.732 1.00 0.67 H new ATOM 1025 N LEU A 70 9.194 -4.357 -2.691 1.00 0.39 N ATOM 1026 CA LEU A 70 9.039 -3.581 -1.475 1.00 0.47 C ATOM 1027 C LEU A 70 10.385 -3.015 -1.050 1.00 0.44 C ATOM 1028 O LEU A 70 10.459 -1.902 -0.533 1.00 0.47 O ATOM 1029 CB LEU A 70 8.427 -4.426 -0.356 1.00 0.62 C ATOM 1030 CG LEU A 70 7.022 -4.967 -0.647 1.00 0.99 C ATOM 1031 CD1 LEU A 70 6.448 -5.653 0.582 1.00 1.48 C ATOM 1032 CD2 LEU A 70 6.099 -3.849 -1.114 1.00 1.65 C ATOM 0 H LEU A 70 9.079 -5.363 -2.571 1.00 0.39 H new ATOM 0 HA LEU A 70 8.356 -2.756 -1.674 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.089 -5.268 -0.153 1.00 0.62 H new ATOM 0 HB3 LEU A 70 8.388 -3.825 0.553 1.00 0.62 H new ATOM 0 HG LEU A 70 7.100 -5.703 -1.448 1.00 0.99 H new ATOM 0 HD11 LEU A 70 5.451 -6.030 0.356 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.093 -6.483 0.870 1.00 1.48 H new ATOM 0 HD13 LEU A 70 6.388 -4.938 1.403 1.00 1.48 H new ATOM 0 HD21 LEU A 70 5.108 -4.255 -1.315 1.00 1.65 H new ATOM 0 HD22 LEU A 70 6.028 -3.087 -0.338 1.00 1.65 H new ATOM 0 HD23 LEU A 70 6.499 -3.403 -2.024 1.00 1.65 H new ATOM 1044 N ASN A 71 11.456 -3.775 -1.292 1.00 0.46 N ATOM 1045 CA ASN A 71 12.796 -3.309 -0.949 1.00 0.50 C ATOM 1046 C ASN A 71 13.039 -1.918 -1.524 1.00 0.41 C ATOM 1047 O ASN A 71 13.480 -1.021 -0.813 1.00 0.44 O ATOM 1048 CB ASN A 71 13.874 -4.269 -1.469 1.00 0.59 C ATOM 1049 CG ASN A 71 13.919 -5.583 -0.713 1.00 0.79 C ATOM 1050 OD1 ASN A 71 12.925 -5.818 0.130 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 14.830 -6.389 -0.902 1.00 0.72 N flip ATOM 0 H ASN A 71 11.421 -4.701 -1.718 1.00 0.46 H new ATOM 0 HA ASN A 71 12.860 -3.272 0.138 1.00 0.50 H new ATOM 0 HB2 ASN A 71 13.693 -4.471 -2.525 1.00 0.59 H new ATOM 0 HB3 ASN A 71 14.848 -3.784 -1.400 1.00 0.59 H new ATOM 0 HD21 ASN A 71 15.577 -6.169 -1.561 1.00 0.72 H new ATOM 0 HD22 ASN A 71 14.838 -7.277 -0.400 1.00 0.72 H new ATOM 1058 N HIS A 72 12.751 -1.750 -2.817 1.00 0.37 N ATOM 1059 CA HIS A 72 12.944 -0.471 -3.502 1.00 0.35 C ATOM 1060 C HIS A 72 11.998 0.604 -2.977 1.00 0.32 C ATOM 1061 O HIS A 72 12.434 1.697 -2.620 1.00 0.35 O ATOM 1062 CB HIS A 72 12.749 -0.647 -5.004 1.00 0.39 C ATOM 1063 CG HIS A 72 13.801 -1.501 -5.635 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.102 -1.080 -5.827 1.00 1.07 N ATOM 1065 CD2 HIS A 72 13.747 -2.770 -6.098 1.00 0.61 C ATOM 1066 CE1 HIS A 72 15.799 -2.054 -6.382 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.001 -3.091 -6.557 1.00 1.11 N ATOM 0 H HIS A 72 12.381 -2.490 -3.414 1.00 0.37 H new ATOM 0 HA HIS A 72 13.964 -0.141 -3.302 1.00 0.35 H new ATOM 0 HB2 HIS A 72 11.771 -1.091 -5.188 1.00 0.39 H new ATOM 0 HB3 HIS A 72 12.750 0.333 -5.482 1.00 0.39 H new ATOM 0 HD2 HIS A 72 12.879 -3.412 -6.106 1.00 0.61 H new ATOM 0 HE1 HIS A 72 16.845 -2.010 -6.648 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.272 -3.985 -6.966 1.00 1.11 H new ATOM 1076 N THR A 73 10.705 0.302 -2.934 1.00 0.34 N ATOM 1077 CA THR A 73 9.730 1.271 -2.443 1.00 0.38 C ATOM 1078 C THR A 73 10.156 1.784 -1.067 1.00 0.36 C ATOM 1079 O THR A 73 10.324 2.988 -0.856 1.00 0.36 O ATOM 1080 CB THR A 73 8.340 0.641 -2.372 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.339 -0.478 -1.503 1.00 0.77 O ATOM 1082 CG2 THR A 73 7.826 0.177 -3.718 1.00 0.61 C ATOM 0 H THR A 73 10.311 -0.592 -3.228 1.00 0.34 H new ATOM 0 HA THR A 73 9.688 2.112 -3.135 1.00 0.38 H new ATOM 0 HB THR A 73 7.684 1.429 -2.001 1.00 0.47 H new ATOM 0 HG1 THR A 73 7.518 -0.996 -1.637 1.00 0.77 H new ATOM 0 HG21 THR A 73 6.835 -0.261 -3.598 1.00 0.61 H new ATOM 0 HG22 THR A 73 7.767 1.027 -4.398 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.505 -0.570 -4.129 1.00 0.61 H new ATOM 1090 N GLN A 74 10.348 0.850 -0.144 1.00 0.39 N ATOM 1091 CA GLN A 74 10.775 1.170 1.206 1.00 0.42 C ATOM 1092 C GLN A 74 12.216 1.673 1.205 1.00 0.41 C ATOM 1093 O GLN A 74 12.679 2.268 2.179 1.00 0.50 O ATOM 1094 CB GLN A 74 10.651 -0.059 2.109 1.00 0.49 C ATOM 1095 CG GLN A 74 9.246 -0.634 2.164 1.00 1.45 C ATOM 1096 CD GLN A 74 9.151 -1.857 3.055 1.00 1.87 C ATOM 1097 OE1 GLN A 74 9.838 -2.855 2.835 1.00 2.25 O ATOM 1098 NE2 GLN A 74 8.294 -1.788 4.066 1.00 2.54 N ATOM 0 H GLN A 74 10.212 -0.147 -0.312 1.00 0.39 H new ATOM 0 HA GLN A 74 10.129 1.958 1.593 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.336 -0.830 1.756 1.00 0.49 H new ATOM 0 HB3 GLN A 74 10.965 0.209 3.118 1.00 0.49 H new ATOM 0 HG2 GLN A 74 8.559 0.130 2.527 1.00 1.45 H new ATOM 0 HG3 GLN A 74 8.926 -0.898 1.156 1.00 1.45 H new ATOM 0 HE21 GLN A 74 7.744 -0.941 4.212 1.00 2.54 H new ATOM 0 HE22 GLN A 74 8.185 -2.582 4.697 1.00 2.54 H new ATOM 1107 N ARG A 75 12.919 1.439 0.100 1.00 0.37 N ATOM 1108 CA ARG A 75 14.303 1.880 -0.034 1.00 0.41 C ATOM 1109 C ARG A 75 14.349 3.398 -0.058 1.00 0.39 C ATOM 1110 O ARG A 75 15.244 4.021 0.517 1.00 0.43 O ATOM 1111 CB ARG A 75 14.928 1.295 -1.305 1.00 0.48 C ATOM 1112 CG ARG A 75 16.374 1.689 -1.542 1.00 0.89 C ATOM 1113 CD ARG A 75 16.993 0.838 -2.641 1.00 0.88 C ATOM 1114 NE ARG A 75 18.334 1.291 -2.997 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.108 0.677 -3.889 1.00 2.26 C ATOM 1116 NH1 ARG A 75 18.677 -0.414 -4.507 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.314 1.154 -4.159 1.00 3.06 N ATOM 0 H ARG A 75 12.553 0.947 -0.715 1.00 0.37 H new ATOM 0 HA ARG A 75 14.881 1.523 0.819 1.00 0.41 H new ATOM 0 HB2 ARG A 75 14.866 0.208 -1.257 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.335 1.610 -2.163 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.428 2.742 -1.817 1.00 0.89 H new ATOM 0 HG3 ARG A 75 16.944 1.571 -0.620 1.00 0.89 H new ATOM 0 HD2 ARG A 75 17.037 -0.201 -2.313 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.355 0.867 -3.524 1.00 0.88 H new ATOM 0 HE ARG A 75 18.699 2.125 -2.536 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.750 -0.785 -4.299 1.00 2.72 H new ATOM 0 HH12 ARG A 75 19.273 -0.882 -5.190 1.00 2.72 H new ATOM 0 HH21 ARG A 75 20.649 1.992 -3.683 1.00 3.06 H new ATOM 0 HH22 ARG A 75 20.907 0.684 -4.843 1.00 3.06 H new ATOM 1131 N ILE A 76 13.355 3.991 -0.711 1.00 0.38 N ATOM 1132 CA ILE A 76 13.268 5.434 -0.788 1.00 0.41 C ATOM 1133 C ILE A 76 12.854 6.009 0.558 1.00 0.42 C ATOM 1134 O ILE A 76 13.470 6.956 1.035 1.00 0.44 O ATOM 1135 CB ILE A 76 12.289 5.900 -1.880 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.787 5.455 -3.256 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.120 7.411 -1.831 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.143 6.019 -3.631 1.00 0.83 C ATOM 0 H ILE A 76 12.605 3.493 -1.190 1.00 0.38 H new ATOM 0 HA ILE A 76 14.258 5.803 -1.055 1.00 0.41 H new ATOM 0 HB ILE A 76 11.316 5.443 -1.700 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.839 4.366 -3.278 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.059 5.755 -4.009 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.425 7.725 -2.610 1.00 0.50 H new ATOM 0 HG22 ILE A 76 11.729 7.702 -0.856 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.085 7.891 -1.992 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.427 5.658 -4.619 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.094 7.108 -3.643 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.885 5.698 -2.900 1.00 0.83 H new ATOM 1150 N GLU A 77 11.831 5.420 1.191 1.00 0.44 N ATOM 1151 CA GLU A 77 11.408 5.903 2.503 1.00 0.47 C ATOM 1152 C GLU A 77 12.549 5.753 3.491 1.00 0.48 C ATOM 1153 O GLU A 77 12.579 6.408 4.530 1.00 0.54 O ATOM 1154 CB GLU A 77 10.134 5.215 3.018 1.00 0.50 C ATOM 1155 CG GLU A 77 10.169 3.694 3.085 1.00 0.66 C ATOM 1156 CD GLU A 77 10.817 3.153 4.349 1.00 0.97 C ATOM 1157 OE1 GLU A 77 12.039 3.348 4.512 1.00 1.32 O ATOM 1158 OE2 GLU A 77 10.113 2.539 5.172 1.00 1.43 O ATOM 0 H GLU A 77 11.297 4.631 0.826 1.00 0.44 H new ATOM 0 HA GLU A 77 11.152 6.957 2.397 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.919 5.597 4.016 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.303 5.510 2.378 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.150 3.313 3.018 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.710 3.313 2.219 1.00 0.66 H new ATOM 1165 N LEU A 78 13.503 4.896 3.147 1.00 0.45 N ATOM 1166 CA LEU A 78 14.666 4.686 3.988 1.00 0.49 C ATOM 1167 C LEU A 78 15.524 5.941 3.928 1.00 0.49 C ATOM 1168 O LEU A 78 16.091 6.374 4.928 1.00 0.59 O ATOM 1169 CB LEU A 78 15.453 3.455 3.513 1.00 0.53 C ATOM 1170 CG LEU A 78 16.514 2.923 4.485 1.00 0.88 C ATOM 1171 CD1 LEU A 78 17.004 1.555 4.034 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.688 3.885 4.593 1.00 1.52 C ATOM 0 H LEU A 78 13.491 4.338 2.293 1.00 0.45 H new ATOM 0 HA LEU A 78 14.362 4.499 5.018 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.745 2.653 3.304 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.942 3.702 2.571 1.00 0.53 H new ATOM 0 HG LEU A 78 16.054 2.832 5.469 1.00 0.88 H new ATOM 0 HD11 LEU A 78 17.756 1.189 4.733 1.00 1.66 H new ATOM 0 HD12 LEU A 78 16.166 0.859 4.007 1.00 1.66 H new ATOM 0 HD13 LEU A 78 17.441 1.635 3.039 1.00 1.66 H new ATOM 0 HD21 LEU A 78 18.425 3.483 5.288 1.00 1.52 H new ATOM 0 HD22 LEU A 78 18.146 4.012 3.612 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.335 4.850 4.956 1.00 1.52 H new ATOM 1184 N GLN A 79 15.591 6.533 2.738 1.00 0.47 N ATOM 1185 CA GLN A 79 16.356 7.757 2.527 1.00 0.52 C ATOM 1186 C GLN A 79 15.429 8.971 2.449 1.00 0.53 C ATOM 1187 O GLN A 79 15.883 10.095 2.227 1.00 0.72 O ATOM 1188 CB GLN A 79 17.181 7.652 1.243 1.00 0.63 C ATOM 1189 CG GLN A 79 18.132 6.466 1.223 1.00 1.12 C ATOM 1190 CD GLN A 79 18.943 6.373 -0.060 1.00 1.67 C ATOM 1191 OE1 GLN A 79 18.715 7.303 -0.984 1.00 2.24 O flip ATOM 1192 NE2 GLN A 79 19.767 5.474 -0.219 1.00 2.32 N flip ATOM 0 H GLN A 79 15.122 6.182 1.903 1.00 0.47 H new ATOM 0 HA GLN A 79 17.028 7.887 3.375 1.00 0.52 H new ATOM 0 HB2 GLN A 79 16.504 7.578 0.392 1.00 0.63 H new ATOM 0 HB3 GLN A 79 17.756 8.569 1.115 1.00 0.63 H new ATOM 0 HG2 GLN A 79 18.812 6.539 2.071 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.560 5.547 1.352 1.00 1.12 H new ATOM 0 HE21 GLN A 79 19.912 4.780 0.514 1.00 2.32 H new ATOM 0 HE22 GLN A 79 20.305 5.423 -1.084 1.00 2.32 H new ATOM 1201 N GLN A 80 14.129 8.738 2.631 1.00 0.61 N ATOM 1202 CA GLN A 80 13.138 9.810 2.578 1.00 0.72 C ATOM 1203 C GLN A 80 12.441 9.984 3.926 1.00 0.88 C ATOM 1204 O GLN A 80 11.840 11.026 4.194 1.00 1.15 O ATOM 1205 CB GLN A 80 12.119 9.557 1.456 1.00 0.74 C ATOM 1206 CG GLN A 80 12.617 9.984 0.085 1.00 1.27 C ATOM 1207 CD GLN A 80 12.950 11.465 0.012 1.00 1.51 C ATOM 1208 OE1 GLN A 80 13.851 11.947 0.698 1.00 2.00 O ATOM 1209 NE2 GLN A 80 12.220 12.195 -0.824 1.00 2.07 N ATOM 0 H GLN A 80 13.738 7.814 2.817 1.00 0.61 H new ATOM 0 HA GLN A 80 13.661 10.740 2.354 1.00 0.72 H new ATOM 0 HB2 GLN A 80 11.872 8.496 1.431 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.198 10.093 1.684 1.00 0.74 H new ATOM 0 HG2 GLN A 80 13.504 9.404 -0.171 1.00 1.27 H new ATOM 0 HG3 GLN A 80 11.857 9.750 -0.661 1.00 1.27 H new ATOM 0 HE21 GLN A 80 11.482 11.755 -1.374 1.00 2.07 H new ATOM 0 HE22 GLN A 80 12.397 13.195 -0.916 1.00 2.07 H new ATOM 1218 N GLY A 81 12.534 8.965 4.773 1.00 0.99 N ATOM 1219 CA GLY A 81 11.923 9.025 6.090 1.00 1.25 C ATOM 1220 C GLY A 81 12.735 9.848 7.078 1.00 1.79 C ATOM 1221 O GLY A 81 12.783 9.528 8.265 1.00 2.18 O ATOM 0 H GLY A 81 13.024 8.094 4.570 1.00 0.99 H new ATOM 0 HA2 GLY A 81 10.924 9.452 6.003 1.00 1.25 H new ATOM 0 HA3 GLY A 81 11.805 8.013 6.477 1.00 1.25 H new ATOM 1429 N THR A 93 7.058 8.563 7.574 1.00 1.14 N ATOM 1430 CA THR A 93 7.169 7.129 7.347 1.00 1.33 C ATOM 1431 C THR A 93 6.627 6.787 5.968 1.00 1.11 C ATOM 1432 O THR A 93 6.200 7.670 5.225 1.00 1.61 O ATOM 1433 CB THR A 93 6.403 6.334 8.412 1.00 1.94 C ATOM 1434 OG1 THR A 93 6.614 4.943 8.253 1.00 2.57 O ATOM 1435 CG2 THR A 93 4.910 6.575 8.383 1.00 2.58 C ATOM 0 HA THR A 93 8.222 6.856 7.411 1.00 1.33 H new ATOM 0 HB THR A 93 6.794 6.686 9.366 1.00 1.94 H new ATOM 0 HG1 THR A 93 6.118 4.456 8.944 1.00 2.57 H new ATOM 0 HG21 THR A 93 4.431 5.982 9.162 1.00 2.58 H new ATOM 0 HG22 THR A 93 4.709 7.632 8.556 1.00 2.58 H new ATOM 0 HG23 THR A 93 4.513 6.285 7.410 1.00 2.58 H new ATOM 1443 N LEU A 94 6.651 5.508 5.635 1.00 0.80 N ATOM 1444 CA LEU A 94 6.166 5.044 4.345 1.00 0.54 C ATOM 1445 C LEU A 94 6.220 3.521 4.313 1.00 0.52 C ATOM 1446 O LEU A 94 7.288 2.931 4.491 1.00 0.65 O ATOM 1447 CB LEU A 94 7.024 5.656 3.235 1.00 0.48 C ATOM 1448 CG LEU A 94 6.402 5.689 1.838 1.00 0.52 C ATOM 1449 CD1 LEU A 94 5.078 6.438 1.856 1.00 1.39 C ATOM 1450 CD2 LEU A 94 7.367 6.336 0.859 1.00 1.37 C ATOM 0 H LEU A 94 7.003 4.768 6.243 1.00 0.80 H new ATOM 0 HA LEU A 94 5.133 5.355 4.188 1.00 0.54 H new ATOM 0 HB2 LEU A 94 7.276 6.677 3.521 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.960 5.100 3.180 1.00 0.48 H new ATOM 0 HG LEU A 94 6.206 4.666 1.518 1.00 0.52 H new ATOM 0 HD11 LEU A 94 4.653 6.450 0.852 1.00 1.39 H new ATOM 0 HD12 LEU A 94 4.388 5.940 2.537 1.00 1.39 H new ATOM 0 HD13 LEU A 94 5.244 7.462 2.192 1.00 1.39 H new ATOM 0 HD21 LEU A 94 6.918 6.357 -0.134 1.00 1.37 H new ATOM 0 HD22 LEU A 94 7.583 7.355 1.181 1.00 1.37 H new ATOM 0 HD23 LEU A 94 8.293 5.761 0.827 1.00 1.37 H new ATOM 1462 N ASP A 95 5.071 2.884 4.120 1.00 0.49 N ATOM 1463 CA ASP A 95 5.012 1.425 4.109 1.00 0.56 C ATOM 1464 C ASP A 95 4.341 0.908 2.849 1.00 0.48 C ATOM 1465 O ASP A 95 3.261 1.364 2.472 1.00 0.65 O ATOM 1466 CB ASP A 95 4.267 0.918 5.347 1.00 0.87 C ATOM 1467 CG ASP A 95 4.243 -0.598 5.433 1.00 1.51 C ATOM 1468 OD1 ASP A 95 3.668 -1.234 4.525 1.00 2.19 O ATOM 1469 OD2 ASP A 95 4.796 -1.149 6.407 1.00 1.92 O ATOM 0 H ASP A 95 4.175 3.348 3.970 1.00 0.49 H new ATOM 0 HA ASP A 95 6.035 1.048 4.125 1.00 0.56 H new ATOM 0 HB2 ASP A 95 4.740 1.322 6.242 1.00 0.87 H new ATOM 0 HB3 ASP A 95 3.244 1.294 5.330 1.00 0.87 H new ATOM 1474 N LEU A 96 4.995 -0.042 2.199 1.00 0.48 N ATOM 1475 CA LEU A 96 4.473 -0.623 0.973 1.00 0.63 C ATOM 1476 C LEU A 96 4.294 -2.133 1.112 1.00 0.60 C ATOM 1477 O LEU A 96 5.199 -2.836 1.561 1.00 0.76 O ATOM 1478 CB LEU A 96 5.410 -0.303 -0.196 1.00 0.97 C ATOM 1479 CG LEU A 96 5.748 1.183 -0.380 1.00 0.98 C ATOM 1480 CD1 LEU A 96 4.483 2.028 -0.409 1.00 1.91 C ATOM 1481 CD2 LEU A 96 6.695 1.668 0.709 1.00 2.04 C ATOM 0 H LEU A 96 5.890 -0.427 2.501 1.00 0.48 H new ATOM 0 HA LEU A 96 3.494 -0.187 0.776 1.00 0.63 H new ATOM 0 HB2 LEU A 96 6.339 -0.855 -0.056 1.00 0.97 H new ATOM 0 HB3 LEU A 96 4.955 -0.672 -1.116 1.00 0.97 H new ATOM 0 HG LEU A 96 6.253 1.294 -1.340 1.00 0.98 H new ATOM 0 HD11 LEU A 96 4.749 3.077 -0.540 1.00 1.91 H new ATOM 0 HD12 LEU A 96 3.850 1.708 -1.237 1.00 1.91 H new ATOM 0 HD13 LEU A 96 3.942 1.906 0.529 1.00 1.91 H new ATOM 0 HD21 LEU A 96 6.917 2.724 0.554 1.00 2.04 H new ATOM 0 HD22 LEU A 96 6.227 1.535 1.684 1.00 2.04 H new ATOM 0 HD23 LEU A 96 7.620 1.093 0.670 1.00 2.04 H new ATOM 1493 N ASP A 97 3.118 -2.623 0.722 1.00 0.55 N ATOM 1494 CA ASP A 97 2.813 -4.054 0.798 1.00 0.62 C ATOM 1495 C ASP A 97 1.929 -4.472 -0.339 1.00 0.56 C ATOM 1496 O ASP A 97 1.348 -3.641 -1.030 1.00 0.70 O ATOM 1497 CB ASP A 97 2.164 -4.405 2.140 1.00 0.79 C ATOM 1498 CG ASP A 97 0.881 -3.635 2.391 1.00 1.45 C ATOM 1499 OD1 ASP A 97 0.506 -2.815 1.528 1.00 1.98 O ATOM 1500 OD2 ASP A 97 0.252 -3.853 3.448 1.00 2.17 O ATOM 0 H ASP A 97 2.360 -2.051 0.350 1.00 0.55 H new ATOM 0 HA ASP A 97 3.753 -4.601 0.721 1.00 0.62 H new ATOM 0 HB2 ASP A 97 1.952 -5.474 2.168 1.00 0.79 H new ATOM 0 HB3 ASP A 97 2.870 -4.199 2.945 1.00 0.79 H new ATOM 1505 N ILE A 98 1.876 -5.770 -0.560 1.00 0.69 N ATOM 1506 CA ILE A 98 1.114 -6.301 -1.655 1.00 0.63 C ATOM 1507 C ILE A 98 0.004 -7.247 -1.210 1.00 0.67 C ATOM 1508 O ILE A 98 0.213 -8.145 -0.393 1.00 0.93 O ATOM 1509 CB ILE A 98 2.038 -7.049 -2.621 1.00 0.74 C ATOM 1510 CG1 ILE A 98 1.270 -7.373 -3.883 1.00 1.91 C ATOM 1511 CG2 ILE A 98 2.576 -8.318 -1.973 1.00 1.40 C ATOM 1512 CD1 ILE A 98 2.035 -8.220 -4.876 1.00 2.73 C ATOM 0 H ILE A 98 2.354 -6.470 0.008 1.00 0.69 H new ATOM 0 HA ILE A 98 0.645 -5.447 -2.145 1.00 0.63 H new ATOM 0 HB ILE A 98 2.892 -6.419 -2.871 1.00 0.74 H new ATOM 0 HG12 ILE A 98 0.351 -7.892 -3.612 1.00 1.91 H new ATOM 0 HG13 ILE A 98 0.979 -6.441 -4.367 1.00 1.91 H new ATOM 0 HG21 ILE A 98 3.230 -8.836 -2.675 1.00 1.40 H new ATOM 0 HG22 ILE A 98 3.139 -8.058 -1.076 1.00 1.40 H new ATOM 0 HG23 ILE A 98 1.745 -8.970 -1.704 1.00 1.40 H new ATOM 0 HD11 ILE A 98 1.413 -8.406 -5.751 1.00 2.73 H new ATOM 0 HD12 ILE A 98 2.941 -7.696 -5.180 1.00 2.73 H new ATOM 0 HD13 ILE A 98 2.303 -9.170 -4.413 1.00 2.73 H new ATOM 1524 N MET A 99 -1.175 -7.045 -1.782 1.00 0.53 N ATOM 1525 CA MET A 99 -2.321 -7.885 -1.491 1.00 0.63 C ATOM 1526 C MET A 99 -2.388 -9.055 -2.472 1.00 0.63 C ATOM 1527 O MET A 99 -2.818 -10.146 -2.109 1.00 0.87 O ATOM 1528 CB MET A 99 -3.613 -7.070 -1.553 1.00 0.70 C ATOM 1529 CG MET A 99 -3.699 -5.986 -0.492 1.00 0.93 C ATOM 1530 SD MET A 99 -3.623 -6.652 1.182 1.00 1.77 S ATOM 1531 CE MET A 99 -3.786 -5.155 2.151 1.00 2.48 C ATOM 0 H MET A 99 -1.360 -6.301 -2.454 1.00 0.53 H new ATOM 0 HA MET A 99 -2.208 -8.281 -0.482 1.00 0.63 H new ATOM 0 HB2 MET A 99 -3.696 -6.610 -2.538 1.00 0.70 H new ATOM 0 HB3 MET A 99 -4.463 -7.743 -1.443 1.00 0.70 H new ATOM 0 HG2 MET A 99 -2.884 -5.277 -0.635 1.00 0.93 H new ATOM 0 HG3 MET A 99 -4.629 -5.432 -0.617 1.00 0.93 H new ATOM 0 HE1 MET A 99 -3.379 -5.321 3.148 1.00 2.48 H new ATOM 0 HE2 MET A 99 -3.239 -4.346 1.666 1.00 2.48 H new ATOM 0 HE3 MET A 99 -4.839 -4.885 2.229 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.957 -8.830 -3.722 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.979 -9.892 -4.739 1.00 0.55 C ATOM 1543 C LEU A 100 -0.771 -9.829 -5.662 1.00 0.54 C ATOM 1544 O LEU A 100 -0.399 -8.760 -6.125 1.00 0.76 O ATOM 1545 CB LEU A 100 -3.233 -9.798 -5.604 1.00 0.75 C ATOM 1546 CG LEU A 100 -4.553 -9.763 -4.855 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -4.888 -8.342 -4.427 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -5.658 -10.349 -5.713 1.00 1.69 C ATOM 0 H LEU A 100 -1.594 -7.935 -4.050 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.964 -10.833 -4.189 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -3.161 -8.900 -6.218 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -3.246 -10.649 -6.285 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.461 -10.370 -3.955 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -5.838 -8.338 -3.892 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -4.102 -7.964 -3.774 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -4.965 -7.705 -5.308 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -6.600 -10.318 -5.165 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -5.753 -9.768 -6.630 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -5.416 -11.382 -5.961 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.182 -10.984 -5.960 1.00 0.46 N ATOM 1561 CA PHE A 101 0.965 -11.040 -6.860 1.00 0.46 C ATOM 1562 C PHE A 101 0.529 -11.455 -8.268 1.00 0.51 C ATOM 1563 O PHE A 101 0.810 -12.566 -8.715 1.00 0.58 O ATOM 1564 CB PHE A 101 2.014 -12.019 -6.333 1.00 0.45 C ATOM 1565 CG PHE A 101 3.273 -12.045 -7.158 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.963 -10.876 -7.429 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.766 -13.241 -7.655 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.121 -10.897 -8.184 1.00 0.65 C ATOM 1569 CE2 PHE A 101 4.921 -13.269 -8.410 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.595 -12.091 -8.685 1.00 0.71 C ATOM 0 H PHE A 101 -0.478 -11.889 -5.594 1.00 0.46 H new ATOM 0 HA PHE A 101 1.404 -10.043 -6.908 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.266 -11.753 -5.307 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.585 -13.021 -6.306 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.592 -9.937 -7.046 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.240 -14.162 -7.449 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.654 -9.979 -8.381 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.299 -14.208 -8.786 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.489 -12.107 -9.290 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.159 -10.550 -8.961 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.621 -10.835 -10.311 1.00 0.65 C ATOM 1582 C GLY A 102 -1.722 -11.878 -10.352 1.00 0.67 C ATOM 1583 O GLY A 102 -2.235 -12.192 -11.427 1.00 0.99 O ATOM 0 H GLY A 102 -0.405 -9.624 -8.612 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.983 -9.914 -10.767 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.221 -11.179 -10.912 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.050 -12.426 -9.177 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.067 -13.467 -9.018 1.00 0.64 C ATOM 1589 C ASN A 103 -2.360 -14.806 -9.003 1.00 0.71 C ATOM 1590 O ASN A 103 -2.732 -15.759 -9.687 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.152 -13.410 -10.099 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.320 -14.321 -9.786 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -6.445 -13.722 -9.428 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -5.208 -15.546 -9.848 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.609 -12.154 -8.298 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.597 -13.308 -8.079 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.509 -12.385 -10.199 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -3.721 -13.692 -11.059 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -4.321 -15.963 -10.129 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -6.002 -16.143 -9.618 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.303 -14.827 -8.209 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.451 -15.983 -8.041 1.00 0.61 C ATOM 1603 C GLU A 104 -0.386 -16.352 -6.566 1.00 0.64 C ATOM 1604 O GLU A 104 -0.189 -15.482 -5.724 1.00 0.84 O ATOM 1605 CB GLU A 104 0.935 -15.631 -8.568 1.00 0.70 C ATOM 1606 CG GLU A 104 1.994 -16.666 -8.279 1.00 1.16 C ATOM 1607 CD GLU A 104 1.782 -17.963 -9.039 1.00 1.28 C ATOM 1608 OE1 GLU A 104 0.806 -18.049 -9.816 1.00 1.79 O ATOM 1609 OE2 GLU A 104 2.595 -18.894 -8.859 1.00 1.87 O ATOM 0 H GLU A 104 -1.011 -14.023 -7.654 1.00 0.53 H new ATOM 0 HA GLU A 104 -0.845 -16.838 -8.591 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.874 -15.483 -9.646 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.245 -14.681 -8.133 1.00 0.70 H new ATOM 0 HG2 GLU A 104 2.972 -16.258 -8.534 1.00 1.16 H new ATOM 0 HG3 GLU A 104 2.006 -16.876 -7.210 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.568 -17.627 -6.245 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.557 -18.052 -4.850 1.00 0.66 C ATOM 1618 C VAL A 105 0.847 -18.063 -4.261 1.00 0.70 C ATOM 1619 O VAL A 105 1.552 -19.071 -4.302 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.192 -19.442 -4.670 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.230 -19.828 -3.199 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.592 -19.471 -5.270 1.00 0.95 C ATOM 0 H VAL A 105 -0.723 -18.376 -6.920 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.154 -17.316 -4.312 1.00 0.66 H new ATOM 0 HB VAL A 105 -0.577 -20.171 -5.198 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -1.683 -20.814 -3.093 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.215 -19.850 -2.802 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -1.820 -19.097 -2.646 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.026 -20.462 -5.134 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.217 -18.730 -4.772 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.536 -19.243 -6.334 1.00 0.95 H new ATOM 1632 N ILE A 106 1.222 -16.927 -3.682 1.00 0.65 N ATOM 1633 CA ILE A 106 2.517 -16.770 -3.036 1.00 0.72 C ATOM 1634 C ILE A 106 2.352 -16.048 -1.714 1.00 0.77 C ATOM 1635 O ILE A 106 2.089 -14.849 -1.689 1.00 0.84 O ATOM 1636 CB ILE A 106 3.522 -15.967 -3.884 1.00 0.81 C ATOM 1637 CG1 ILE A 106 3.865 -16.689 -5.187 1.00 0.76 C ATOM 1638 CG2 ILE A 106 4.781 -15.712 -3.071 1.00 1.33 C ATOM 1639 CD1 ILE A 106 4.909 -15.960 -6.014 1.00 0.76 C ATOM 0 H ILE A 106 0.637 -16.092 -3.648 1.00 0.65 H new ATOM 0 HA ILE A 106 2.909 -17.778 -2.898 1.00 0.72 H new ATOM 0 HB ILE A 106 3.061 -15.016 -4.152 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.228 -17.691 -4.956 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.958 -16.807 -5.780 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.492 -15.144 -3.670 1.00 1.33 H new ATOM 0 HG22 ILE A 106 4.527 -15.145 -2.175 1.00 1.33 H new ATOM 0 HG23 ILE A 106 5.227 -16.664 -2.784 1.00 1.33 H new ATOM 0 HD11 ILE A 106 5.109 -16.523 -6.926 1.00 0.76 H new ATOM 0 HD12 ILE A 106 4.540 -14.968 -6.274 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.829 -15.865 -5.437 1.00 0.76 H new ATOM 1651 N ASN A 107 2.508 -16.778 -0.623 1.00 0.80 N ATOM 1652 CA ASN A 107 2.376 -16.183 0.697 1.00 0.91 C ATOM 1653 C ASN A 107 3.690 -16.215 1.463 1.00 0.92 C ATOM 1654 O ASN A 107 4.496 -17.134 1.321 1.00 1.03 O ATOM 1655 CB ASN A 107 1.308 -16.891 1.521 1.00 1.00 C ATOM 1656 CG ASN A 107 0.208 -17.473 0.676 1.00 1.11 C ATOM 1657 OD1 ASN A 107 -0.963 -16.873 0.768 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 0.411 -18.436 -0.064 1.00 1.12 N flip ATOM 0 H ASN A 107 2.724 -17.775 -0.623 1.00 0.80 H new ATOM 0 HA ASN A 107 2.082 -15.145 0.539 1.00 0.91 H new ATOM 0 HB2 ASN A 107 1.773 -17.687 2.102 1.00 1.00 H new ATOM 0 HB3 ASN A 107 0.878 -16.186 2.233 1.00 1.00 H new ATOM 0 HD21 ASN A 107 1.335 -18.866 -0.100 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -0.345 -18.804 -0.641 1.00 1.12 H new ATOM 1665 N THR A 108 3.869 -15.202 2.292 1.00 0.92 N ATOM 1666 CA THR A 108 5.051 -15.066 3.132 1.00 1.01 C ATOM 1667 C THR A 108 4.804 -13.988 4.190 1.00 1.15 C ATOM 1668 O THR A 108 4.157 -14.250 5.204 1.00 1.79 O ATOM 1669 CB THR A 108 6.293 -14.753 2.285 1.00 1.00 C ATOM 1670 OG1 THR A 108 7.370 -14.336 3.103 1.00 1.66 O ATOM 1671 CG2 THR A 108 6.066 -13.688 1.231 1.00 1.26 C ATOM 0 H THR A 108 3.195 -14.444 2.404 1.00 0.92 H new ATOM 0 HA THR A 108 5.242 -16.012 3.639 1.00 1.01 H new ATOM 0 HB THR A 108 6.526 -15.687 1.774 1.00 1.00 H new ATOM 0 HG1 THR A 108 8.151 -14.144 2.543 1.00 1.66 H new ATOM 0 HG21 THR A 108 6.989 -13.524 0.675 1.00 1.26 H new ATOM 0 HG22 THR A 108 5.283 -14.015 0.546 1.00 1.26 H new ATOM 0 HG23 THR A 108 5.762 -12.759 1.712 1.00 1.26 H new ATOM 1679 N GLU A 109 5.288 -12.775 3.940 1.00 0.95 N ATOM 1680 CA GLU A 109 5.086 -11.662 4.861 1.00 1.05 C ATOM 1681 C GLU A 109 5.035 -10.356 4.086 1.00 1.06 C ATOM 1682 O GLU A 109 4.265 -9.452 4.412 1.00 1.32 O ATOM 1683 CB GLU A 109 6.199 -11.603 5.913 1.00 1.20 C ATOM 1684 CG GLU A 109 6.267 -12.826 6.816 1.00 1.46 C ATOM 1685 CD GLU A 109 5.042 -12.977 7.700 1.00 2.13 C ATOM 1686 OE1 GLU A 109 4.155 -12.097 7.648 1.00 2.57 O ATOM 1687 OE2 GLU A 109 4.971 -13.974 8.448 1.00 2.74 O ATOM 0 H GLU A 109 5.824 -12.538 3.105 1.00 0.95 H new ATOM 0 HA GLU A 109 4.139 -11.816 5.379 1.00 1.05 H new ATOM 0 HB2 GLU A 109 7.157 -11.485 5.406 1.00 1.20 H new ATOM 0 HB3 GLU A 109 6.054 -10.717 6.530 1.00 1.20 H new ATOM 0 HG2 GLU A 109 6.378 -13.719 6.201 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.156 -12.759 7.444 1.00 1.46 H new ATOM 1694 N ARG A 110 5.851 -10.279 3.045 1.00 0.93 N ATOM 1695 CA ARG A 110 5.898 -9.103 2.195 1.00 0.97 C ATOM 1696 C ARG A 110 5.272 -9.426 0.847 1.00 0.79 C ATOM 1697 O ARG A 110 5.165 -8.564 -0.024 1.00 0.87 O ATOM 1698 CB ARG A 110 7.344 -8.630 1.988 1.00 1.17 C ATOM 1699 CG ARG A 110 8.079 -8.280 3.274 1.00 1.05 C ATOM 1700 CD ARG A 110 8.466 -9.523 4.059 1.00 1.57 C ATOM 1701 NE ARG A 110 9.190 -9.197 5.285 1.00 2.14 N ATOM 1702 CZ ARG A 110 9.627 -10.109 6.149 1.00 2.68 C ATOM 1703 NH1 ARG A 110 9.408 -11.398 5.927 1.00 2.96 N ATOM 1704 NH2 ARG A 110 10.279 -9.730 7.241 1.00 3.52 N ATOM 0 H ARG A 110 6.492 -11.023 2.769 1.00 0.93 H new ATOM 0 HA ARG A 110 5.341 -8.303 2.683 1.00 0.97 H new ATOM 0 HB2 ARG A 110 7.898 -9.411 1.468 1.00 1.17 H new ATOM 0 HB3 ARG A 110 7.338 -7.756 1.337 1.00 1.17 H new ATOM 0 HG2 ARG A 110 8.975 -7.707 3.036 1.00 1.05 H new ATOM 0 HG3 ARG A 110 7.447 -7.642 3.892 1.00 1.05 H new ATOM 0 HD2 ARG A 110 7.568 -10.088 4.309 1.00 1.57 H new ATOM 0 HD3 ARG A 110 9.084 -10.168 3.434 1.00 1.57 H new ATOM 0 HE ARG A 110 9.371 -8.214 5.490 1.00 2.14 H new ATOM 0 HH11 ARG A 110 8.903 -11.693 5.091 1.00 2.96 H new ATOM 0 HH12 ARG A 110 9.745 -12.094 6.592 1.00 2.96 H new ATOM 0 HH21 ARG A 110 10.445 -8.739 7.418 1.00 3.52 H new ATOM 0 HH22 ARG A 110 10.614 -10.429 7.904 1.00 3.52 H new ATOM 1718 N LEU A 111 4.874 -10.687 0.678 1.00 0.72 N ATOM 1719 CA LEU A 111 4.278 -11.138 -0.570 1.00 0.75 C ATOM 1720 C LEU A 111 3.232 -12.237 -0.355 1.00 0.66 C ATOM 1721 O LEU A 111 3.555 -13.423 -0.337 1.00 0.70 O ATOM 1722 CB LEU A 111 5.383 -11.628 -1.516 1.00 0.95 C ATOM 1723 CG LEU A 111 4.915 -12.428 -2.735 1.00 0.69 C ATOM 1724 CD1 LEU A 111 3.796 -11.708 -3.463 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.082 -12.679 -3.676 1.00 1.36 C ATOM 0 H LEU A 111 4.955 -11.411 1.392 1.00 0.72 H new ATOM 0 HA LEU A 111 3.757 -10.291 -1.015 1.00 0.75 H new ATOM 0 HB2 LEU A 111 5.944 -10.762 -1.868 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.076 -12.246 -0.945 1.00 0.95 H new ATOM 0 HG LEU A 111 4.529 -13.386 -2.386 1.00 0.69 H new ATOM 0 HD11 LEU A 111 3.483 -12.298 -4.324 1.00 0.95 H new ATOM 0 HD12 LEU A 111 2.950 -11.574 -2.788 1.00 0.95 H new ATOM 0 HD13 LEU A 111 4.149 -10.734 -3.800 1.00 0.95 H new ATOM 0 HD21 LEU A 111 5.737 -13.249 -4.539 1.00 1.36 H new ATOM 0 HD22 LEU A 111 6.491 -11.726 -4.010 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.855 -13.243 -3.154 1.00 1.36 H new ATOM 1737 N THR A 112 1.975 -11.821 -0.216 1.00 0.71 N ATOM 1738 CA THR A 112 0.857 -12.745 -0.034 1.00 0.67 C ATOM 1739 C THR A 112 -0.280 -12.381 -0.993 1.00 0.66 C ATOM 1740 O THR A 112 -0.727 -11.233 -1.015 1.00 0.82 O ATOM 1741 CB THR A 112 0.365 -12.702 1.411 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.777 -13.527 1.579 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.002 -11.310 1.877 1.00 0.83 C ATOM 0 H THR A 112 1.703 -10.838 -0.226 1.00 0.71 H new ATOM 0 HA THR A 112 1.195 -13.758 -0.254 1.00 0.67 H new ATOM 0 HB THR A 112 1.200 -13.061 2.012 1.00 0.74 H new ATOM 0 HG1 THR A 112 -1.075 -13.487 2.512 1.00 0.75 H new ATOM 0 HG21 THR A 112 -0.340 -11.350 2.911 1.00 0.83 H new ATOM 0 HG22 THR A 112 0.877 -10.664 1.809 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.793 -10.911 1.247 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.740 -13.342 -1.798 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.817 -13.069 -2.753 1.00 0.61 C ATOM 1753 C VAL A 113 -3.202 -13.137 -2.083 1.00 0.64 C ATOM 1754 O VAL A 113 -4.036 -12.266 -2.324 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.747 -13.986 -4.002 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.390 -15.340 -3.774 1.00 1.27 C ATOM 1757 CG2 VAL A 113 -2.369 -13.295 -5.204 1.00 1.38 C ATOM 0 H VAL A 113 -0.391 -14.300 -1.809 1.00 0.60 H new ATOM 0 HA VAL A 113 -1.669 -12.047 -3.103 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.691 -14.170 -4.200 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.311 -15.938 -4.682 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -1.881 -15.852 -2.957 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -3.441 -15.205 -3.519 1.00 1.27 H new ATOM 0 HG21 VAL A 113 -2.311 -13.952 -6.072 1.00 1.38 H new ATOM 0 HG22 VAL A 113 -3.413 -13.065 -4.992 1.00 1.38 H new ATOM 0 HG23 VAL A 113 -1.829 -12.371 -5.412 1.00 1.38 H new ATOM 1767 N PRO A 114 -3.481 -14.138 -1.205 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.767 -14.230 -0.504 1.00 0.70 C ATOM 1769 C PRO A 114 -4.935 -13.058 0.442 1.00 0.76 C ATOM 1770 O PRO A 114 -5.916 -12.968 1.182 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.667 -15.535 0.283 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.586 -16.283 -0.395 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.599 -15.233 -0.801 1.00 0.63 C ATOM 0 HA PRO A 114 -5.619 -14.211 -1.183 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.428 -15.351 1.331 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.607 -16.086 0.262 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -3.133 -17.017 0.272 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.963 -16.828 -1.260 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.943 -14.948 0.021 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.959 -15.566 -1.618 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.955 -12.159 0.388 1.00 0.82 N ATOM 1782 CA HIS A 115 -3.933 -10.949 1.197 1.00 0.95 C ATOM 1783 C HIS A 115 -3.816 -11.251 2.687 1.00 0.86 C ATOM 1784 O HIS A 115 -4.677 -11.908 3.268 1.00 0.88 O ATOM 1785 CB HIS A 115 -5.189 -10.098 0.969 1.00 1.14 C ATOM 1786 CG HIS A 115 -5.966 -10.396 -0.279 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -5.534 -10.088 -1.547 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -7.175 -10.987 -0.432 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -6.449 -10.476 -2.423 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -7.448 -11.025 -1.769 1.00 3.97 N ATOM 0 H HIS A 115 -3.146 -12.254 -0.226 1.00 0.82 H new ATOM 0 HA HIS A 115 -3.050 -10.395 0.879 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -5.851 -10.226 1.825 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -4.894 -9.049 0.948 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -4.650 -9.633 -1.777 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -7.808 -11.360 0.360 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -6.385 -10.360 -3.495 1.00 4.09 H new ATOM 0 HE2 HIS A 115 -8.290 -11.416 -2.192 1.00 3.97 H new ATOM 1799 N TYR A 116 -2.757 -10.736 3.301 1.00 1.04 N ATOM 1800 CA TYR A 116 -2.538 -10.904 4.734 1.00 1.14 C ATOM 1801 C TYR A 116 -2.705 -9.553 5.434 1.00 1.04 C ATOM 1802 O TYR A 116 -2.059 -8.575 5.056 1.00 1.47 O ATOM 1803 CB TYR A 116 -1.145 -11.474 5.010 1.00 1.62 C ATOM 1804 CG TYR A 116 -0.869 -11.729 6.476 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -1.769 -12.439 7.259 1.00 2.56 C ATOM 1806 CD2 TYR A 116 0.294 -11.259 7.078 1.00 3.06 C ATOM 1807 CE1 TYR A 116 -1.521 -12.675 8.598 1.00 3.50 C ATOM 1808 CE2 TYR A 116 0.549 -11.491 8.416 1.00 4.05 C ATOM 1809 CZ TYR A 116 -0.362 -12.197 9.172 1.00 4.18 C ATOM 1810 OH TYR A 116 -0.111 -12.432 10.504 1.00 5.29 O ATOM 0 H TYR A 116 -2.033 -10.196 2.827 1.00 1.04 H new ATOM 0 HA TYR A 116 -3.273 -11.609 5.122 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -1.029 -12.408 4.460 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -0.396 -10.782 4.624 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -2.679 -12.814 6.814 1.00 2.56 H new ATOM 0 HD2 TYR A 116 1.009 -10.704 6.490 1.00 3.06 H new ATOM 0 HE1 TYR A 116 -2.231 -13.231 9.192 1.00 3.50 H new ATOM 0 HE2 TYR A 116 1.458 -11.121 8.867 1.00 4.05 H new ATOM 0 HH TYR A 116 0.748 -12.029 10.751 1.00 5.29 H new ATOM 1820 N ASP A 117 -3.587 -9.506 6.437 1.00 0.77 N ATOM 1821 CA ASP A 117 -3.866 -8.278 7.186 1.00 0.80 C ATOM 1822 C ASP A 117 -4.761 -7.345 6.376 1.00 0.72 C ATOM 1823 O ASP A 117 -5.103 -6.252 6.825 1.00 0.82 O ATOM 1824 CB ASP A 117 -2.570 -7.557 7.580 1.00 1.03 C ATOM 1825 CG ASP A 117 -1.676 -8.406 8.463 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -2.060 -9.553 8.773 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -0.588 -7.924 8.845 1.00 2.22 O ATOM 0 H ASP A 117 -4.125 -10.314 6.751 1.00 0.77 H new ATOM 0 HA ASP A 117 -4.388 -8.561 8.100 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -2.025 -7.278 6.678 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -2.817 -6.632 8.101 1.00 1.03 H new ATOM 1832 N MET A 118 -5.140 -7.790 5.180 1.00 0.69 N ATOM 1833 CA MET A 118 -6.002 -7.006 4.301 1.00 0.72 C ATOM 1834 C MET A 118 -7.316 -6.652 5.000 1.00 0.71 C ATOM 1835 O MET A 118 -7.750 -5.502 4.967 1.00 0.73 O ATOM 1836 CB MET A 118 -6.293 -7.776 3.005 1.00 0.83 C ATOM 1837 CG MET A 118 -7.150 -9.020 3.210 1.00 1.15 C ATOM 1838 SD MET A 118 -6.472 -10.164 4.428 1.00 2.40 S ATOM 1839 CE MET A 118 -7.657 -11.503 4.345 1.00 3.10 C ATOM 0 H MET A 118 -4.862 -8.693 4.797 1.00 0.69 H new ATOM 0 HA MET A 118 -5.478 -6.082 4.055 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.796 -7.111 2.303 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.348 -8.068 2.547 1.00 0.83 H new ATOM 0 HG2 MET A 118 -8.149 -8.716 3.524 1.00 1.15 H new ATOM 0 HG3 MET A 118 -7.259 -9.538 2.257 1.00 1.15 H new ATOM 0 HE1 MET A 118 -7.164 -12.441 4.599 1.00 3.10 H new ATOM 0 HE2 MET A 118 -8.467 -11.316 5.050 1.00 3.10 H new ATOM 0 HE3 MET A 118 -8.062 -11.568 3.335 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.944 -7.647 5.631 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.207 -7.440 6.336 1.00 0.95 C ATOM 1851 C LYS A 119 -9.053 -6.366 7.398 1.00 0.99 C ATOM 1852 O LYS A 119 -10.016 -5.709 7.789 1.00 1.24 O ATOM 1853 CB LYS A 119 -9.671 -8.744 6.991 1.00 1.15 C ATOM 1854 CG LYS A 119 -8.681 -9.303 7.999 1.00 1.30 C ATOM 1855 CD LYS A 119 -9.172 -10.608 8.608 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.470 -10.416 9.378 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.954 -11.691 9.973 1.00 2.67 N ATOM 0 H LYS A 119 -7.596 -8.605 5.667 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.953 -7.118 5.610 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -10.625 -8.572 7.489 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -9.846 -9.489 6.215 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -7.720 -9.468 7.512 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -8.516 -8.572 8.790 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -9.323 -11.344 7.818 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -8.409 -11.008 9.275 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -10.318 -9.681 10.168 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -11.232 -10.014 8.711 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -11.831 -11.516 10.503 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -11.139 -12.379 9.216 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -10.230 -12.071 10.616 1.00 2.67 H new ATOM 1871 N ASN A 120 -7.825 -6.203 7.859 1.00 0.90 N ATOM 1872 CA ASN A 120 -7.501 -5.223 8.880 1.00 1.04 C ATOM 1873 C ASN A 120 -6.965 -3.942 8.237 1.00 1.08 C ATOM 1874 O ASN A 120 -6.307 -3.130 8.889 1.00 1.35 O ATOM 1875 CB ASN A 120 -6.477 -5.839 9.842 1.00 1.08 C ATOM 1876 CG ASN A 120 -5.881 -4.847 10.814 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -6.595 -4.174 11.559 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -4.556 -4.762 10.813 1.00 1.84 N ATOM 0 H ASN A 120 -7.025 -6.747 7.536 1.00 0.90 H new ATOM 0 HA ASN A 120 -8.397 -4.953 9.440 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -6.956 -6.641 10.404 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -5.674 -6.292 9.261 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -4.086 -4.118 11.449 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -4.008 -5.341 10.177 1.00 1.84 H new ATOM 1885 N ARG A 121 -7.252 -3.763 6.946 1.00 0.93 N ATOM 1886 CA ARG A 121 -6.787 -2.580 6.223 1.00 1.06 C ATOM 1887 C ARG A 121 -7.724 -2.174 5.087 1.00 0.84 C ATOM 1888 O ARG A 121 -7.452 -2.466 3.920 1.00 0.87 O ATOM 1889 CB ARG A 121 -5.397 -2.823 5.632 1.00 1.31 C ATOM 1890 CG ARG A 121 -4.357 -3.283 6.635 1.00 1.14 C ATOM 1891 CD ARG A 121 -3.004 -3.444 5.970 1.00 1.39 C ATOM 1892 NE ARG A 121 -2.060 -4.186 6.806 1.00 1.56 N ATOM 1893 CZ ARG A 121 -1.627 -3.764 7.992 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -2.039 -2.600 8.479 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -0.778 -4.505 8.689 1.00 2.04 N ATOM 0 H ARG A 121 -7.799 -4.416 6.385 1.00 0.93 H new ATOM 0 HA ARG A 121 -6.761 -1.772 6.954 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -5.478 -3.571 4.843 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -5.049 -1.902 5.164 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -4.284 -2.561 7.448 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -4.665 -4.230 7.077 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -3.128 -3.962 5.019 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -2.592 -2.460 5.746 1.00 1.39 H new ATOM 0 HE ARG A 121 -1.713 -5.080 6.459 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -2.690 -2.025 7.944 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -1.705 -2.281 9.388 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -0.456 -5.399 8.317 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -0.446 -4.182 9.598 1.00 2.04 H new ATOM 1909 N GLY A 122 -8.793 -1.454 5.410 1.00 0.73 N ATOM 1910 CA GLY A 122 -9.693 -0.975 4.371 1.00 0.60 C ATOM 1911 C GLY A 122 -9.012 0.103 3.564 1.00 0.57 C ATOM 1912 O GLY A 122 -9.512 0.537 2.526 1.00 0.59 O ATOM 0 H GLY A 122 -9.053 -1.194 6.362 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -9.985 -1.800 3.721 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -10.606 -0.584 4.820 1.00 0.60 H new ATOM 1916 N PHE A 123 -7.847 0.522 4.057 1.00 0.65 N ATOM 1917 CA PHE A 123 -7.052 1.544 3.402 1.00 0.72 C ATOM 1918 C PHE A 123 -6.068 0.917 2.418 1.00 0.80 C ATOM 1919 O PHE A 123 -5.000 1.465 2.153 1.00 1.14 O ATOM 1920 CB PHE A 123 -6.319 2.399 4.445 1.00 0.84 C ATOM 1921 CG PHE A 123 -5.523 1.607 5.448 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -4.391 0.902 5.065 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -5.910 1.569 6.778 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -3.664 0.177 5.990 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -5.187 0.846 7.706 1.00 1.49 C ATOM 1926 CZ PHE A 123 -4.062 0.149 7.312 1.00 1.98 C ATOM 0 H PHE A 123 -7.435 0.161 4.917 1.00 0.65 H new ATOM 0 HA PHE A 123 -7.720 2.193 2.836 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -5.649 3.086 3.928 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -7.050 3.007 4.978 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.075 0.920 4.033 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -6.789 2.112 7.093 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -2.785 -0.368 5.679 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -5.501 0.826 8.739 1.00 1.49 H new ATOM 0 HZ PHE A 123 -3.495 -0.417 8.036 1.00 1.98 H new ATOM 1936 N MET A 124 -6.449 -0.230 1.866 1.00 0.62 N ATOM 1937 CA MET A 124 -5.622 -0.928 0.889 1.00 0.68 C ATOM 1938 C MET A 124 -6.496 -1.747 -0.055 1.00 0.64 C ATOM 1939 O MET A 124 -6.204 -1.867 -1.247 1.00 0.68 O ATOM 1940 CB MET A 124 -4.607 -1.842 1.582 1.00 0.80 C ATOM 1941 CG MET A 124 -3.542 -1.091 2.365 1.00 1.00 C ATOM 1942 SD MET A 124 -2.254 -2.177 3.004 1.00 1.91 S ATOM 1943 CE MET A 124 -1.156 -0.987 3.769 1.00 2.23 C ATOM 0 H MET A 124 -7.330 -0.698 2.080 1.00 0.62 H new ATOM 0 HA MET A 124 -5.076 -0.180 0.314 1.00 0.68 H new ATOM 0 HB2 MET A 124 -5.138 -2.512 2.258 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.121 -2.466 0.831 1.00 0.80 H new ATOM 0 HG2 MET A 124 -3.089 -0.336 1.722 1.00 1.00 H new ATOM 0 HG3 MET A 124 -4.012 -0.563 3.195 1.00 1.00 H new ATOM 0 HE1 MET A 124 -0.281 -0.840 3.136 1.00 2.23 H new ATOM 0 HE2 MET A 124 -1.677 -0.038 3.893 1.00 2.23 H new ATOM 0 HE3 MET A 124 -0.841 -1.358 4.744 1.00 2.23 H new ATOM 1953 N LEU A 125 -7.566 -2.310 0.493 1.00 0.61 N ATOM 1954 CA LEU A 125 -8.485 -3.128 -0.275 1.00 0.62 C ATOM 1955 C LEU A 125 -9.521 -2.283 -1.011 1.00 0.56 C ATOM 1956 O LEU A 125 -9.905 -2.596 -2.139 1.00 0.63 O ATOM 1957 CB LEU A 125 -9.163 -4.124 0.657 1.00 0.67 C ATOM 1958 CG LEU A 125 -8.214 -5.024 1.446 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -9.003 -5.952 2.354 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -7.322 -5.821 0.503 1.00 1.16 C ATOM 0 H LEU A 125 -7.817 -2.211 1.477 1.00 0.61 H new ATOM 0 HA LEU A 125 -7.918 -3.664 -1.037 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -9.786 -3.573 1.362 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -9.830 -4.754 0.068 1.00 0.67 H new ATOM 0 HG LEU A 125 -7.574 -4.396 2.066 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -8.315 -6.588 2.911 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -9.596 -5.361 3.052 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -9.665 -6.574 1.752 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -6.653 -6.456 1.084 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -7.941 -6.442 -0.145 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -6.733 -5.136 -0.107 1.00 1.16 H new ATOM 1972 N TRP A 126 -9.969 -1.210 -0.369 1.00 0.48 N ATOM 1973 CA TRP A 126 -10.958 -0.313 -0.959 1.00 0.48 C ATOM 1974 C TRP A 126 -10.377 0.422 -2.167 1.00 0.47 C ATOM 1975 O TRP A 126 -10.993 0.454 -3.231 1.00 0.48 O ATOM 1976 CB TRP A 126 -11.469 0.666 0.105 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.096 1.911 -0.438 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -11.852 3.175 -0.006 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.067 2.021 -1.487 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -12.598 4.075 -0.727 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -13.354 3.390 -1.644 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -13.719 1.098 -2.313 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -14.261 3.858 -2.589 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -14.620 1.564 -3.251 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -14.884 2.933 -3.384 1.00 3.03 C ATOM 0 H TRP A 126 -9.662 -0.939 0.565 1.00 0.48 H new ATOM 0 HA TRP A 126 -11.802 -0.901 -1.318 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.198 0.152 0.731 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -10.636 0.947 0.750 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -11.170 3.435 0.790 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -12.591 5.087 -0.601 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -13.521 0.040 -2.219 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -14.467 4.913 -2.692 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -15.130 0.860 -3.893 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -15.593 3.266 -4.128 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.171 1.004 -2.043 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.525 1.706 -3.160 1.00 0.54 C ATOM 1998 C PRO A 127 -8.259 0.761 -4.322 1.00 0.53 C ATOM 1999 O PRO A 127 -8.586 1.059 -5.472 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.204 2.185 -2.558 1.00 0.61 C ATOM 2001 CG PRO A 127 -6.962 1.252 -1.426 1.00 0.61 C ATOM 2002 CD PRO A 127 -8.319 1.010 -0.840 1.00 0.55 C ATOM 0 HA PRO A 127 -9.140 2.512 -3.560 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.395 2.144 -3.288 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.273 3.218 -2.216 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -6.506 0.323 -1.768 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -6.285 1.687 -0.691 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -8.368 0.065 -0.300 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -8.607 1.793 -0.139 1.00 0.55 H new ATOM 2010 N LEU A 128 -7.674 -0.391 -4.003 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.372 -1.405 -5.001 1.00 0.56 C ATOM 2012 C LEU A 128 -8.665 -1.893 -5.629 1.00 0.54 C ATOM 2013 O LEU A 128 -8.673 -2.446 -6.730 1.00 0.61 O ATOM 2014 CB LEU A 128 -6.624 -2.572 -4.350 1.00 0.63 C ATOM 2015 CG LEU A 128 -6.047 -3.605 -5.319 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -4.942 -2.986 -6.162 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -5.523 -4.813 -4.557 1.00 1.55 C ATOM 0 H LEU A 128 -7.399 -0.643 -3.054 1.00 0.53 H new ATOM 0 HA LEU A 128 -6.737 -0.976 -5.776 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -5.809 -2.169 -3.749 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.304 -3.080 -3.666 1.00 0.63 H new ATOM 0 HG LEU A 128 -6.843 -3.936 -5.986 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -4.543 -3.735 -6.846 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -5.346 -2.151 -6.734 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -4.145 -2.628 -5.511 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -5.116 -5.539 -5.261 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -4.740 -4.497 -3.868 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -6.338 -5.270 -3.995 1.00 1.55 H new ATOM 2029 N PHE A 129 -9.768 -1.664 -4.919 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.082 -2.058 -5.400 1.00 0.51 C ATOM 2031 C PHE A 129 -11.548 -1.071 -6.462 1.00 0.53 C ATOM 2032 O PHE A 129 -12.219 -1.441 -7.423 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.091 -2.107 -4.248 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.391 -2.766 -4.618 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.363 -2.067 -5.314 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -13.640 -4.086 -4.270 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -15.557 -2.670 -5.661 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -14.832 -4.693 -4.614 1.00 0.71 C ATOM 2039 CZ PHE A 129 -15.790 -3.985 -5.313 1.00 0.75 C ATOM 0 H PHE A 129 -9.773 -1.206 -4.007 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.014 -3.056 -5.833 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -11.647 -2.643 -3.409 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.292 -1.091 -3.907 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.186 -1.038 -5.589 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -12.894 -4.645 -3.724 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -16.307 -2.113 -6.204 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -15.015 -5.721 -4.337 1.00 0.71 H new ATOM 0 HZ PHE A 129 -16.720 -4.460 -5.587 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.174 0.193 -6.278 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.540 1.247 -7.215 1.00 0.49 C ATOM 2051 C GLU A 130 -10.774 1.091 -8.524 1.00 0.53 C ATOM 2052 O GLU A 130 -11.347 1.216 -9.607 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.255 2.621 -6.605 1.00 0.54 C ATOM 2054 CG GLU A 130 -11.604 3.787 -7.520 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.087 3.865 -7.832 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -13.612 2.918 -8.451 1.00 2.04 O ATOM 2057 OE2 GLU A 130 -13.722 4.875 -7.458 1.00 2.40 O ATOM 0 H GLU A 130 -10.616 0.511 -5.485 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.607 1.165 -7.423 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -11.818 2.719 -5.677 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -10.198 2.680 -6.345 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -11.286 4.718 -7.052 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -11.046 3.692 -8.451 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.478 0.815 -8.419 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.640 0.641 -9.596 1.00 0.56 C ATOM 2066 C ILE A 131 -8.978 -0.663 -10.313 1.00 0.52 C ATOM 2067 O ILE A 131 -8.728 -0.808 -11.509 1.00 0.64 O ATOM 2068 CB ILE A 131 -7.137 0.677 -9.237 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.778 -0.419 -8.229 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -6.759 2.045 -8.688 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -6.531 -1.773 -8.856 1.00 1.41 C ATOM 0 H ILE A 131 -8.987 0.707 -7.531 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.845 1.476 -10.266 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.569 0.491 -10.149 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -5.886 -0.116 -7.680 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -7.585 -0.508 -7.502 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -5.698 2.057 -8.439 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.964 2.808 -9.439 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.344 2.252 -7.792 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -6.283 -2.495 -8.078 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -7.429 -2.100 -9.381 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -5.704 -1.702 -9.562 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.555 -1.608 -9.570 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.936 -2.899 -10.137 1.00 0.58 C ATOM 2085 C ALA A 132 -11.007 -3.586 -9.289 1.00 0.56 C ATOM 2086 O ALA A 132 -10.698 -4.430 -8.448 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.718 -3.800 -10.280 1.00 0.73 C ATOM 0 H ALA A 132 -9.768 -1.503 -8.578 1.00 0.53 H new ATOM 0 HA ALA A 132 -10.356 -2.716 -11.126 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -9.021 -4.757 -10.704 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.990 -3.326 -10.938 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -8.269 -3.963 -9.300 1.00 0.73 H new ATOM 2093 N PRO A 133 -12.288 -3.229 -9.501 1.00 0.63 N ATOM 2094 CA PRO A 133 -13.406 -3.813 -8.759 1.00 0.66 C ATOM 2095 C PRO A 133 -13.865 -5.142 -9.355 1.00 0.88 C ATOM 2096 O PRO A 133 -15.049 -5.334 -9.636 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.495 -2.752 -8.909 1.00 0.79 C ATOM 2098 CG PRO A 133 -14.229 -2.118 -10.234 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.744 -2.230 -10.485 1.00 0.81 C ATOM 0 HA PRO A 133 -13.147 -4.045 -7.726 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -15.489 -3.198 -8.876 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.447 -2.020 -8.103 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.792 -2.619 -11.021 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.542 -1.074 -10.232 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.535 -2.551 -11.505 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.242 -1.273 -10.343 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.919 -6.056 -9.549 1.00 0.90 N ATOM 2108 CA GLU A 134 -13.221 -7.367 -10.114 1.00 1.12 C ATOM 2109 C GLU A 134 -12.150 -8.380 -9.722 1.00 1.08 C ATOM 2110 O GLU A 134 -12.245 -9.563 -10.049 1.00 1.25 O ATOM 2111 CB GLU A 134 -13.325 -7.276 -11.637 1.00 1.34 C ATOM 2112 CG GLU A 134 -12.065 -6.748 -12.303 1.00 1.87 C ATOM 2113 CD GLU A 134 -12.208 -6.634 -13.807 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -13.099 -5.887 -14.265 1.00 2.61 O ATOM 2115 OE2 GLU A 134 -11.428 -7.291 -14.530 1.00 2.50 O ATOM 0 H GLU A 134 -11.935 -5.912 -9.323 1.00 0.90 H new ATOM 0 HA GLU A 134 -14.178 -7.701 -9.714 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -13.550 -8.265 -12.037 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -14.162 -6.628 -11.898 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -11.822 -5.769 -11.889 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -11.230 -7.409 -12.070 1.00 1.87 H new ATOM 2122 N LEU A 135 -11.130 -7.900 -9.019 1.00 0.99 N ATOM 2123 CA LEU A 135 -10.033 -8.748 -8.570 1.00 1.03 C ATOM 2124 C LEU A 135 -10.457 -9.592 -7.371 1.00 1.50 C ATOM 2125 O LEU A 135 -10.743 -9.064 -6.298 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.831 -7.878 -8.210 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.604 -8.635 -7.712 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -7.157 -9.673 -8.733 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -6.477 -7.661 -7.409 1.00 2.26 C ATOM 0 H LEU A 135 -11.041 -6.921 -8.747 1.00 0.99 H new ATOM 0 HA LEU A 135 -9.758 -9.426 -9.378 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -8.548 -7.297 -9.088 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -9.135 -7.167 -7.442 1.00 1.00 H new ATOM 0 HG LEU A 135 -7.869 -9.159 -6.794 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -6.281 -10.200 -8.356 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -7.964 -10.386 -8.904 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -6.906 -9.177 -9.671 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -5.606 -8.212 -7.054 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -6.216 -7.113 -8.315 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -6.800 -6.959 -6.641 1.00 2.26 H new ATOM 2141 N VAL A 136 -10.501 -10.904 -7.570 1.00 1.65 N ATOM 2142 CA VAL A 136 -10.900 -11.838 -6.519 1.00 2.11 C ATOM 2143 C VAL A 136 -10.581 -13.270 -6.928 1.00 1.98 C ATOM 2144 O VAL A 136 -10.930 -13.682 -8.034 1.00 2.82 O ATOM 2145 CB VAL A 136 -12.408 -11.719 -6.227 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -13.201 -11.686 -7.525 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -12.881 -12.869 -5.351 1.00 3.66 C ATOM 0 H VAL A 136 -10.264 -11.350 -8.456 1.00 1.65 H new ATOM 0 HA VAL A 136 -10.340 -11.585 -5.619 1.00 2.11 H new ATOM 0 HB VAL A 136 -12.577 -10.785 -5.690 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -14.264 -11.602 -7.300 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -12.887 -10.829 -8.121 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -13.020 -12.603 -8.085 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -13.949 -12.764 -5.158 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -12.696 -13.815 -5.860 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -12.338 -12.854 -4.406 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.928 -14.025 -6.030 1.00 1.34 N ATOM 2158 CA PHE A 137 -9.569 -15.424 -6.323 1.00 1.66 C ATOM 2159 C PHE A 137 -8.523 -16.007 -5.366 1.00 1.18 C ATOM 2160 O PHE A 137 -8.664 -17.150 -4.928 1.00 1.57 O ATOM 2161 CB PHE A 137 -9.025 -15.546 -7.741 1.00 2.23 C ATOM 2162 CG PHE A 137 -8.771 -16.963 -8.177 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -9.763 -17.924 -8.059 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -7.544 -17.333 -8.705 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -9.533 -19.228 -8.460 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -7.310 -18.634 -9.106 1.00 4.85 C ATOM 2167 CZ PHE A 137 -8.300 -19.582 -8.984 1.00 5.09 C ATOM 0 H PHE A 137 -9.641 -13.697 -5.108 1.00 1.34 H new ATOM 0 HA PHE A 137 -10.492 -15.991 -6.198 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -9.731 -15.085 -8.431 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.095 -14.982 -7.813 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -10.725 -17.652 -7.650 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -6.761 -16.595 -8.804 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -10.313 -19.969 -8.365 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -6.349 -18.907 -9.516 1.00 4.85 H new ATOM 0 HZ PHE A 137 -8.116 -20.600 -9.296 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.447 -15.254 -5.041 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.387 -15.743 -4.151 1.00 0.92 C ATOM 2179 C PRO A 138 -6.959 -16.464 -2.946 1.00 1.20 C ATOM 2180 O PRO A 138 -6.624 -17.615 -2.663 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.681 -14.460 -3.731 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.827 -13.565 -4.910 1.00 1.68 C ATOM 2183 CD PRO A 138 -7.173 -13.881 -5.508 1.00 1.44 C ATOM 0 HA PRO A 138 -5.729 -16.467 -4.631 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -6.138 -14.026 -2.842 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.632 -14.641 -3.495 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -5.768 -12.518 -4.614 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -5.029 -13.738 -5.632 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.937 -13.182 -5.168 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -7.151 -13.825 -6.596 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.848 -15.771 -2.267 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.529 -16.310 -1.100 1.00 1.62 C ATOM 2193 C ASP A 139 -10.002 -16.517 -1.429 1.00 1.65 C ATOM 2194 O ASP A 139 -10.737 -17.168 -0.687 1.00 2.28 O ATOM 2195 CB ASP A 139 -8.387 -15.364 0.093 1.00 2.26 C ATOM 2196 CG ASP A 139 -9.092 -14.042 -0.136 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -8.787 -13.375 -1.146 1.00 3.67 O ATOM 2198 OD2 ASP A 139 -9.950 -13.675 0.693 1.00 3.20 O ATOM 0 H ASP A 139 -8.122 -14.818 -2.505 1.00 1.07 H new ATOM 0 HA ASP A 139 -8.075 -17.264 -0.834 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -8.795 -15.842 0.984 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -7.330 -15.181 0.285 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.417 -15.954 -2.563 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.792 -16.073 -3.003 1.00 1.72 C ATOM 2205 C GLY A 140 -12.636 -14.880 -2.607 1.00 1.31 C ATOM 2206 O GLY A 140 -13.843 -15.014 -2.402 1.00 1.85 O ATOM 0 H GLY A 140 -9.817 -15.414 -3.187 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.814 -16.185 -4.087 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -12.228 -16.978 -2.580 1.00 1.72 H new ATOM 2210 N GLU A 141 -12.007 -13.710 -2.509 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.727 -12.490 -2.142 1.00 0.94 C ATOM 2212 C GLU A 141 -12.029 -11.246 -2.660 1.00 0.82 C ATOM 2213 O GLU A 141 -10.817 -11.094 -2.502 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.863 -12.353 -0.622 1.00 1.56 C ATOM 2215 CG GLU A 141 -13.593 -13.498 0.049 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.056 -13.155 1.454 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -13.773 -12.029 1.915 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -14.700 -14.015 2.090 1.00 2.47 O ATOM 0 H GLU A 141 -11.009 -13.580 -2.677 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.713 -12.576 -2.599 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.867 -12.269 -0.187 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -13.388 -11.424 -0.399 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -14.456 -13.777 -0.555 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -12.937 -14.368 0.089 1.00 1.38 H new ATOM 2225 N MET A 142 -12.805 -10.329 -3.235 1.00 0.57 N ATOM 2226 CA MET A 142 -12.237 -9.079 -3.709 1.00 0.54 C ATOM 2227 C MET A 142 -11.634 -8.358 -2.527 1.00 0.58 C ATOM 2228 O MET A 142 -12.085 -8.530 -1.394 1.00 0.92 O ATOM 2229 CB MET A 142 -13.281 -8.182 -4.374 1.00 0.57 C ATOM 2230 CG MET A 142 -13.886 -8.781 -5.619 1.00 0.67 C ATOM 2231 SD MET A 142 -15.197 -7.763 -6.322 1.00 1.32 S ATOM 2232 CE MET A 142 -15.676 -8.754 -7.735 1.00 1.58 C ATOM 0 H MET A 142 -13.810 -10.429 -3.380 1.00 0.57 H new ATOM 0 HA MET A 142 -11.483 -9.307 -4.462 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.076 -7.972 -3.659 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.820 -7.228 -4.627 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.104 -8.923 -6.365 1.00 0.67 H new ATOM 0 HG3 MET A 142 -14.285 -9.768 -5.384 1.00 0.67 H new ATOM 0 HE1 MET A 142 -16.106 -8.110 -8.502 1.00 1.58 H new ATOM 0 HE2 MET A 142 -14.799 -9.262 -8.137 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.414 -9.494 -7.427 1.00 1.58 H new ATOM 2242 N LEU A 143 -10.615 -7.571 -2.786 1.00 0.55 N ATOM 2243 CA LEU A 143 -9.947 -6.833 -1.731 1.00 0.62 C ATOM 2244 C LEU A 143 -10.953 -6.242 -0.745 1.00 0.56 C ATOM 2245 O LEU A 143 -10.975 -6.599 0.433 1.00 0.60 O ATOM 2246 CB LEU A 143 -9.066 -5.701 -2.297 1.00 0.76 C ATOM 2247 CG LEU A 143 -9.061 -5.496 -3.820 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -8.421 -6.681 -4.528 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -10.468 -5.246 -4.347 1.00 1.70 C ATOM 0 H LEU A 143 -10.228 -7.423 -3.718 1.00 0.55 H new ATOM 0 HA LEU A 143 -9.309 -7.546 -1.208 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -9.381 -4.766 -1.833 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -8.039 -5.884 -1.979 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.462 -4.611 -4.033 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -8.430 -6.510 -5.604 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.392 -6.796 -4.188 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.982 -7.587 -4.300 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -10.432 -5.105 -5.427 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -11.101 -6.102 -4.114 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -10.879 -4.352 -3.878 1.00 1.70 H new ATOM 2261 N ARG A 144 -11.763 -5.312 -1.229 1.00 0.53 N ATOM 2262 CA ARG A 144 -12.742 -4.631 -0.391 1.00 0.52 C ATOM 2263 C ARG A 144 -13.671 -5.585 0.361 1.00 0.61 C ATOM 2264 O ARG A 144 -13.954 -5.346 1.519 1.00 0.69 O ATOM 2265 CB ARG A 144 -13.556 -3.641 -1.214 1.00 0.53 C ATOM 2266 CG ARG A 144 -14.518 -2.806 -0.385 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.421 -1.956 -1.264 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.380 -1.183 -0.477 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.299 -0.386 -1.012 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.388 -0.261 -2.330 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.134 0.286 -0.231 1.00 2.16 N ATOM 0 H ARG A 144 -11.762 -5.010 -2.203 1.00 0.53 H new ATOM 0 HA ARG A 144 -12.171 -4.095 0.367 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -12.875 -2.976 -1.744 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.121 -4.187 -1.970 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -15.127 -3.462 0.237 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -13.954 -2.161 0.289 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -14.812 -1.278 -1.861 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.958 -2.599 -1.961 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.342 -1.260 0.539 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -16.750 -0.777 -2.935 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.094 0.351 -2.738 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.072 0.192 0.783 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -18.838 0.897 -0.644 1.00 2.16 H new ATOM 2285 N GLN A 145 -14.154 -6.652 -0.272 1.00 0.76 N ATOM 2286 CA GLN A 145 -15.053 -7.581 0.433 1.00 0.92 C ATOM 2287 C GLN A 145 -14.501 -7.859 1.816 1.00 0.89 C ATOM 2288 O GLN A 145 -15.212 -7.801 2.822 1.00 0.97 O ATOM 2289 CB GLN A 145 -15.173 -8.912 -0.304 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.100 -8.776 -1.799 1.00 0.96 C ATOM 2291 CD GLN A 145 -16.254 -7.994 -2.376 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -15.954 -6.804 -2.865 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.400 -8.446 -2.369 1.00 1.87 N flip ATOM 0 H GLN A 145 -13.950 -6.896 -1.241 1.00 0.76 H new ATOM 0 HA GLN A 145 -16.037 -7.115 0.486 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -14.378 -9.578 0.032 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -16.118 -9.384 -0.035 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -14.165 -8.285 -2.069 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -15.080 -9.769 -2.248 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -17.581 -9.371 -1.980 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.168 -7.895 -2.753 1.00 1.87 H new ATOM 2302 N ILE A 146 -13.215 -8.158 1.839 1.00 0.85 N ATOM 2303 CA ILE A 146 -12.512 -8.456 3.062 1.00 0.90 C ATOM 2304 C ILE A 146 -12.552 -7.273 4.022 1.00 0.85 C ATOM 2305 O ILE A 146 -12.642 -7.459 5.232 1.00 1.01 O ATOM 2306 CB ILE A 146 -11.045 -8.794 2.767 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -10.930 -9.563 1.454 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -10.461 -9.609 3.907 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -9.573 -9.430 0.812 1.00 1.06 C ATOM 0 H ILE A 146 -12.631 -8.200 1.004 1.00 0.85 H new ATOM 0 HA ILE A 146 -13.008 -9.311 3.522 1.00 0.90 H new ATOM 0 HB ILE A 146 -10.483 -7.865 2.673 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -11.138 -10.617 1.637 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -11.691 -9.204 0.761 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -9.419 -9.845 3.689 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -10.518 -9.034 4.831 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -11.026 -10.534 4.020 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -9.553 -9.999 -0.118 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -9.372 -8.380 0.600 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -8.811 -9.815 1.489 1.00 1.06 H new ATOM 2321 N LEU A 147 -12.457 -6.053 3.484 1.00 0.72 N ATOM 2322 CA LEU A 147 -12.456 -4.859 4.337 1.00 0.75 C ATOM 2323 C LEU A 147 -13.873 -4.350 4.629 1.00 0.71 C ATOM 2324 O LEU A 147 -14.229 -4.117 5.780 1.00 0.81 O ATOM 2325 CB LEU A 147 -11.616 -3.748 3.692 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.378 -2.783 2.782 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -12.968 -1.637 3.581 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -11.479 -2.243 1.704 1.00 1.66 C ATOM 0 H LEU A 147 -12.381 -5.867 2.484 1.00 0.72 H new ATOM 0 HA LEU A 147 -12.012 -5.144 5.291 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -11.140 -3.171 4.485 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -10.818 -4.212 3.112 1.00 0.92 H new ATOM 0 HG LEU A 147 -13.191 -3.340 2.316 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -13.505 -0.965 2.911 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -13.657 -2.031 4.328 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -12.167 -1.090 4.079 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -12.042 -1.559 1.069 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -10.644 -1.711 2.159 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -11.098 -3.067 1.101 1.00 1.66 H new ATOM 2340 N HIS A 148 -14.659 -4.149 3.576 1.00 0.71 N ATOM 2341 CA HIS A 148 -16.018 -3.637 3.701 1.00 0.76 C ATOM 2342 C HIS A 148 -16.808 -4.408 4.747 1.00 0.83 C ATOM 2343 O HIS A 148 -17.813 -3.919 5.263 1.00 0.92 O ATOM 2344 CB HIS A 148 -16.723 -3.720 2.344 1.00 0.79 C ATOM 2345 CG HIS A 148 -18.035 -2.993 2.281 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -18.628 -2.141 3.152 1.00 1.04 N flip ATOM 2347 CD2 HIS A 148 -18.892 -3.092 1.206 1.00 1.02 C flip ATOM 2348 CE1 HIS A 148 -19.817 -1.746 2.591 1.00 1.20 C flip ATOM 2349 NE2 HIS A 148 -19.953 -2.333 1.418 1.00 1.19 N flip ATOM 0 H HIS A 148 -14.372 -4.336 2.615 1.00 0.71 H new ATOM 0 HA HIS A 148 -15.964 -2.598 4.025 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -16.060 -3.316 1.579 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -16.891 -4.769 2.099 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -18.723 -3.696 0.327 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -20.526 -1.065 3.038 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -20.743 -2.220 0.782 1.00 1.19 H new ATOM 2358 N THR A 149 -16.364 -5.618 5.058 1.00 0.86 N ATOM 2359 CA THR A 149 -17.062 -6.432 6.036 1.00 0.97 C ATOM 2360 C THR A 149 -16.224 -6.636 7.296 1.00 1.00 C ATOM 2361 O THR A 149 -16.770 -6.851 8.379 1.00 1.13 O ATOM 2362 CB THR A 149 -17.412 -7.787 5.417 1.00 1.02 C ATOM 2363 OG1 THR A 149 -16.244 -8.562 5.218 1.00 1.35 O ATOM 2364 CG2 THR A 149 -18.111 -7.667 4.076 1.00 1.48 C ATOM 0 H THR A 149 -15.534 -6.051 4.652 1.00 0.86 H new ATOM 0 HA THR A 149 -17.974 -5.910 6.324 1.00 0.97 H new ATOM 0 HB THR A 149 -18.089 -8.264 6.125 1.00 1.02 H new ATOM 0 HG1 THR A 149 -15.915 -8.429 4.304 1.00 1.35 H new ATOM 0 HG21 THR A 149 -18.332 -8.662 3.690 1.00 1.48 H new ATOM 0 HG22 THR A 149 -19.040 -7.111 4.199 1.00 1.48 H new ATOM 0 HG23 THR A 149 -17.464 -7.141 3.374 1.00 1.48 H new ATOM 2372 N ARG A 150 -14.901 -6.614 7.148 1.00 0.91 N ATOM 2373 CA ARG A 150 -14.014 -6.844 8.285 1.00 0.97 C ATOM 2374 C ARG A 150 -13.127 -5.647 8.646 1.00 0.97 C ATOM 2375 O ARG A 150 -12.128 -5.825 9.344 1.00 1.16 O ATOM 2376 CB ARG A 150 -13.141 -8.056 7.987 1.00 1.01 C ATOM 2377 CG ARG A 150 -13.942 -9.296 7.632 1.00 1.12 C ATOM 2378 CD ARG A 150 -13.132 -10.251 6.778 1.00 1.43 C ATOM 2379 NE ARG A 150 -13.757 -11.568 6.675 1.00 1.84 N ATOM 2380 CZ ARG A 150 -13.963 -12.374 7.716 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -13.579 -12.008 8.932 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -14.548 -13.551 7.538 1.00 2.86 N ATOM 0 H ARG A 150 -14.424 -6.441 6.263 1.00 0.91 H new ATOM 0 HA ARG A 150 -14.653 -7.011 9.152 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -12.468 -7.818 7.163 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -12.518 -8.270 8.856 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -14.258 -9.801 8.545 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -14.847 -9.006 7.098 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -13.011 -9.829 5.780 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -12.134 -10.357 7.202 1.00 1.43 H new ATOM 0 HE ARG A 150 -14.053 -11.889 5.753 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -13.124 -11.106 9.073 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -13.739 -12.628 9.726 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -14.840 -13.839 6.604 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -14.706 -14.168 8.335 1.00 2.86 H new ATOM 2396 N ALA A 151 -13.456 -4.439 8.191 1.00 0.88 N ATOM 2397 CA ALA A 151 -12.630 -3.288 8.513 1.00 0.91 C ATOM 2398 C ALA A 151 -13.454 -2.015 8.559 1.00 0.92 C ATOM 2399 O ALA A 151 -13.973 -1.639 9.609 1.00 1.18 O ATOM 2400 CB ALA A 151 -11.499 -3.149 7.505 1.00 0.89 C ATOM 0 H ALA A 151 -14.271 -4.239 7.611 1.00 0.88 H new ATOM 0 HA ALA A 151 -12.203 -3.448 9.503 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -10.889 -2.282 7.760 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -10.881 -4.046 7.526 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -11.916 -3.019 6.506 1.00 0.89 H new ATOM 2406 N PHE A 152 -13.562 -1.347 7.420 1.00 0.79 N ATOM 2407 CA PHE A 152 -14.313 -0.115 7.345 1.00 0.99 C ATOM 2408 C PHE A 152 -15.469 -0.227 6.363 1.00 0.88 C ATOM 2409 O PHE A 152 -15.767 -1.308 5.856 1.00 1.32 O ATOM 2410 CB PHE A 152 -13.398 1.031 6.933 1.00 1.26 C ATOM 2411 CG PHE A 152 -12.365 1.404 7.965 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -11.441 0.474 8.418 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -12.316 2.692 8.475 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -10.491 0.819 9.360 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -11.367 3.042 9.418 1.00 3.27 C ATOM 2416 CZ PHE A 152 -10.455 2.105 9.861 1.00 3.92 C ATOM 0 H PHE A 152 -13.138 -1.641 6.540 1.00 0.79 H new ATOM 0 HA PHE A 152 -14.725 0.084 8.334 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -12.889 0.759 6.009 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.009 1.907 6.715 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -11.464 -0.533 8.029 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -13.026 3.430 8.132 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -9.778 0.084 9.704 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -11.339 4.049 9.808 1.00 3.27 H new ATOM 0 HZ PHE A 152 -9.714 2.378 10.598 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.114 0.904 6.100 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.238 0.949 5.178 1.00 1.10 C ATOM 2428 C ASP A 153 -16.986 1.974 4.074 1.00 1.14 C ATOM 2429 O ASP A 153 -17.752 2.925 3.910 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.527 1.293 5.929 1.00 1.43 C ATOM 2431 CG ASP A 153 -18.897 0.246 6.964 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -18.178 -0.770 7.061 1.00 2.80 O ATOM 2433 OD2 ASP A 153 -19.901 0.443 7.681 1.00 2.58 O ATOM 0 H ASP A 153 -15.875 1.804 6.515 1.00 0.92 H new ATOM 0 HA ASP A 153 -17.347 -0.035 4.721 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -18.410 2.259 6.420 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -19.343 1.396 5.214 1.00 1.43 H new ATOM 2438 N LYS A 154 -15.906 1.767 3.319 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.540 2.662 2.223 1.00 0.78 C ATOM 2440 C LYS A 154 -15.080 4.022 2.751 1.00 0.91 C ATOM 2441 O LYS A 154 -15.868 4.787 3.307 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.726 2.815 1.256 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.434 3.669 0.030 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.645 5.151 0.304 1.00 1.03 C ATOM 2445 CE LYS A 154 -18.090 5.456 0.668 1.00 1.54 C ATOM 2446 NZ LYS A 154 -18.301 6.904 0.942 1.00 2.17 N ATOM 0 H LYS A 154 -15.267 0.983 3.449 1.00 0.75 H new ATOM 0 HA LYS A 154 -14.702 2.225 1.681 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.040 1.825 0.927 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -17.565 3.253 1.797 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.406 3.503 -0.291 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -17.079 3.357 -0.791 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -15.991 5.468 1.116 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -16.362 5.728 -0.577 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -18.743 5.142 -0.146 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -18.373 4.876 1.546 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -19.122 7.023 1.569 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -17.455 7.297 1.401 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -18.474 7.405 0.047 1.00 2.17 H new ATOM 2460 N LEU A 155 -13.789 4.313 2.570 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.204 5.575 3.025 1.00 0.61 C ATOM 2462 C LEU A 155 -13.551 6.711 2.063 1.00 0.68 C ATOM 2463 O LEU A 155 -14.162 6.482 1.021 1.00 0.89 O ATOM 2464 CB LEU A 155 -11.683 5.437 3.148 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.197 4.318 4.079 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -9.679 4.320 4.157 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -11.801 4.473 5.468 1.00 1.23 C ATOM 0 H LEU A 155 -13.127 3.688 2.109 1.00 0.61 H new ATOM 0 HA LEU A 155 -13.620 5.813 4.004 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.269 5.265 2.154 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.277 6.384 3.503 1.00 0.60 H new ATOM 0 HG LEU A 155 -11.525 3.363 3.669 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -9.348 3.521 4.821 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -9.263 4.161 3.162 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.336 5.279 4.544 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -11.443 3.670 6.112 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.505 5.434 5.888 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -12.888 4.427 5.399 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.160 7.938 2.413 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.441 9.091 1.567 1.00 0.77 C ATOM 2481 C ASN A 156 -12.152 9.700 1.039 1.00 0.65 C ATOM 2482 O ASN A 156 -11.236 9.997 1.808 1.00 0.69 O ATOM 2483 CB ASN A 156 -14.233 10.146 2.344 1.00 1.04 C ATOM 2484 CG ASN A 156 -15.622 9.676 2.746 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -16.008 8.482 2.306 1.00 2.44 O flip ATOM 2486 ND2 ASN A 156 -16.347 10.387 3.441 1.00 2.12 N flip ATOM 0 H ASN A 156 -12.652 8.154 3.271 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.038 8.750 0.721 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -13.677 10.422 3.240 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -14.323 11.045 1.735 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -16.015 11.297 3.759 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -17.280 10.066 3.699 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.085 9.888 -0.274 1.00 0.64 N ATOM 2494 CA LYS A 157 -10.902 10.466 -0.896 1.00 0.64 C ATOM 2495 C LYS A 157 -10.620 11.853 -0.337 1.00 0.68 C ATOM 2496 O LYS A 157 -11.221 12.841 -0.764 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.056 10.536 -2.414 1.00 0.79 C ATOM 2498 CG LYS A 157 -10.936 9.189 -3.119 1.00 0.96 C ATOM 2499 CD LYS A 157 -11.997 8.198 -2.658 1.00 1.67 C ATOM 2500 CE LYS A 157 -13.401 8.687 -2.976 1.00 1.70 C ATOM 2501 NZ LYS A 157 -13.582 8.954 -4.430 1.00 2.51 N ATOM 0 H LYS A 157 -12.833 9.649 -0.925 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.058 9.816 -0.665 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.027 10.971 -2.649 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -10.299 11.211 -2.814 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -11.023 9.336 -4.196 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -9.947 8.771 -2.933 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -11.829 7.235 -3.140 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -11.902 8.037 -1.584 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -14.127 7.942 -2.651 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -13.604 9.597 -2.412 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -14.595 9.053 -4.641 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -13.087 9.832 -4.686 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -13.190 8.163 -4.980 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.695 11.902 0.617 1.00 0.73 N ATOM 2516 CA TRP A 158 -9.289 13.139 1.271 1.00 0.83 C ATOM 2517 C TRP A 158 -10.450 14.126 1.392 1.00 1.08 C ATOM 2518 O TRP A 158 -10.512 15.071 0.578 1.00 1.47 O ATOM 2519 CB TRP A 158 -8.123 13.770 0.504 1.00 0.85 C ATOM 2520 CG TRP A 158 -7.483 14.926 1.217 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -7.229 15.027 2.555 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -7.008 16.140 0.624 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -6.631 16.234 2.831 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -6.484 16.934 1.663 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -6.976 16.636 -0.684 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -5.935 18.194 1.433 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -6.431 17.885 -0.909 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -5.916 18.652 0.144 1.00 2.95 C ATOM 2529 OXT TRP A 158 -11.286 13.943 2.301 1.00 1.75 O ATOM 0 H TRP A 158 -9.203 11.077 0.960 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.967 12.896 2.284 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.367 13.007 0.318 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -8.481 14.108 -0.469 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -7.463 14.270 3.289 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -6.344 16.556 3.755 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -7.370 16.053 -1.503 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -5.539 18.788 2.243 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -6.401 18.277 -1.915 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -5.496 19.624 -0.066 1.00 2.95 H new