USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1101 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 145 MET CE :methyl -153:sc= -0.431 (180deg=-2.64!) USER MOD Set 1.2: A 146 THR OG1 : rot 66:sc= 1.05 USER MOD Set 2.1: A 36 MET CE :methyl 140:sc= -1.3 (180deg=-4.79!) USER MOD Set 2.2: A 72 MET CE :methyl 134:sc= -0.0863 (180deg=-0.575) USER MOD Set 3.1: A 71 MET CE :methyl -164:sc= -2.59 (180deg=-2.26!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -178:sc= -3.19! (180deg=-2.96!) USER MOD Set 4.1: A 26 THR OG1 : rot 151:sc= 1.24 USER MOD Set 4.2: A 60 ASN : amide:sc= 0.0273 X(o=2.3,f=2.1) USER MOD Set 4.3: A 62 THR OG1 : rot -163:sc= 1.07 USER MOD Single : A 1 ALA N :NH3+ -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0684 USER MOD Single : A 8 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.87) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0523) USER MOD Single : A 17 SER OG : rot 106:sc= 0.297 USER MOD Single : A 21 LYS NZ :NH3+ -150:sc=-0.00971 (180deg=-0.9!) USER MOD Single : A 28 THR OG1 : rot -107:sc= 0.381 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00309) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.111 USER MOD Single : A 38 SER OG : rot 108:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.075) USER MOD Single : A 44 THR OG1 : rot 172:sc= 1.26 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -127:sc= -2.76! (180deg=-4.16!) USER MOD Single : A 53 ASN : amide:sc= -0.096 X(o=-0.096,f=-0.0014) USER MOD Single : A 70 THR OG1 : rot 4:sc= 0.751 USER MOD Single : A 76 MET CE :methyl -171:sc=-0.00885 (180deg=-0.0386) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -122:sc= 0.188 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -67:sc= -0.591 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.239 F(o=-0.87,f=0.24) USER MOD Single : A 109 MET CE :methyl -102:sc= -2.59! (180deg=-5.32!) USER MOD Single : A 110 THR OG1 : rot 102:sc= 0.925 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -105:sc= -6.64! (180deg=-9.98!) USER MOD Single : A 135 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 137 ASN : amide:sc= -2.88! C(o=-2.9!,f=-12!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -146:sc= -0.983 (180deg=-4.29!) USER MOD Single : A 148 LYS NZ :NH3+ -150:sc= 0.0059 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.233 2.938 -5.193 1.00 7.58 N ATOM 2 CA ALA A 1 8.068 2.222 -4.192 1.00 7.12 C ATOM 3 C ALA A 1 9.538 2.633 -4.295 1.00 6.58 C ATOM 4 O ALA A 1 10.202 2.836 -3.274 1.00 7.05 O ATOM 5 CB ALA A 1 7.924 0.716 -4.365 1.00 7.53 C ATOM 0 H1 ALA A 1 6.231 2.702 -5.042 1.00 7.58 H new ATOM 0 H2 ALA A 1 7.367 3.964 -5.087 1.00 7.58 H new ATOM 0 H3 ALA A 1 7.516 2.650 -6.151 1.00 7.58 H new ATOM 0 HA ALA A 1 7.714 2.500 -3.199 1.00 7.12 H new ATOM 0 HB1 ALA A 1 8.541 0.204 -3.626 1.00 7.53 H new ATOM 0 HB2 ALA A 1 6.881 0.432 -4.227 1.00 7.53 H new ATOM 0 HB3 ALA A 1 8.248 0.432 -5.366 1.00 7.53 H new ATOM 13 N ASP A 2 10.034 2.753 -5.533 1.00 5.87 N ATOM 14 CA ASP A 2 11.423 3.140 -5.784 1.00 5.58 C ATOM 15 C ASP A 2 11.510 4.602 -6.237 1.00 5.24 C ATOM 16 O ASP A 2 12.369 5.351 -5.764 1.00 5.25 O ATOM 17 CB ASP A 2 12.048 2.213 -6.837 1.00 5.55 C ATOM 18 CG ASP A 2 13.560 2.117 -6.716 1.00 5.97 C ATOM 19 OD1 ASP A 2 14.259 2.931 -7.355 1.00 6.14 O ATOM 20 OD2 ASP A 2 14.041 1.229 -5.981 1.00 6.37 O ATOM 0 H ASP A 2 9.489 2.586 -6.379 1.00 5.87 H new ATOM 0 HA ASP A 2 11.981 3.041 -4.853 1.00 5.58 H new ATOM 0 HB2 ASP A 2 11.617 1.217 -6.739 1.00 5.55 H new ATOM 0 HB3 ASP A 2 11.790 2.576 -7.832 1.00 5.55 H new ATOM 25 N GLN A 3 10.613 4.994 -7.156 1.00 5.07 N ATOM 26 CA GLN A 3 10.571 6.353 -7.683 1.00 4.79 C ATOM 27 C GLN A 3 9.147 6.827 -7.860 1.00 4.43 C ATOM 28 O GLN A 3 8.221 6.032 -8.051 1.00 4.50 O ATOM 29 CB GLN A 3 11.349 6.468 -9.007 1.00 5.03 C ATOM 30 CG GLN A 3 12.865 6.382 -8.853 1.00 5.41 C ATOM 31 CD GLN A 3 13.489 7.686 -8.384 1.00 5.73 C ATOM 32 OE1 GLN A 3 13.629 7.925 -7.185 1.00 6.18 O ATOM 33 NE2 GLN A 3 13.865 8.537 -9.332 1.00 5.76 N ATOM 0 H GLN A 3 9.903 4.376 -7.548 1.00 5.07 H new ATOM 0 HA GLN A 3 11.056 6.999 -6.951 1.00 4.79 H new ATOM 0 HB2 GLN A 3 11.018 5.676 -9.679 1.00 5.03 H new ATOM 0 HB3 GLN A 3 11.097 7.416 -9.482 1.00 5.03 H new ATOM 0 HG2 GLN A 3 13.108 5.593 -8.142 1.00 5.41 H new ATOM 0 HG3 GLN A 3 13.306 6.097 -9.808 1.00 5.41 H new ATOM 0 HE21 GLN A 3 13.730 8.298 -10.314 1.00 5.76 H new ATOM 0 HE22 GLN A 3 14.289 9.429 -9.078 1.00 5.76 H new ATOM 42 N LEU A 4 9.001 8.146 -7.793 1.00 4.12 N ATOM 43 CA LEU A 4 7.711 8.801 -7.884 1.00 3.79 C ATOM 44 C LEU A 4 7.731 9.932 -8.910 1.00 3.73 C ATOM 45 O LEU A 4 8.792 10.491 -9.207 1.00 3.87 O ATOM 46 CB LEU A 4 7.385 9.336 -6.493 1.00 3.47 C ATOM 47 CG LEU A 4 5.910 9.272 -6.071 1.00 3.23 C ATOM 48 CD1 LEU A 4 5.799 9.154 -4.559 1.00 3.44 C ATOM 49 CD2 LEU A 4 5.151 10.501 -6.559 1.00 3.02 C ATOM 0 H LEU A 4 9.782 8.790 -7.673 1.00 4.12 H new ATOM 0 HA LEU A 4 6.950 8.095 -8.218 1.00 3.79 H new ATOM 0 HB2 LEU A 4 7.974 8.779 -5.765 1.00 3.47 H new ATOM 0 HB3 LEU A 4 7.712 10.374 -6.440 1.00 3.47 H new ATOM 0 HG LEU A 4 5.463 8.389 -6.529 1.00 3.23 H new ATOM 0 HD11 LEU A 4 4.748 9.110 -4.274 1.00 3.44 H new ATOM 0 HD12 LEU A 4 6.304 8.247 -4.227 1.00 3.44 H new ATOM 0 HD13 LEU A 4 6.266 10.021 -4.091 1.00 3.44 H new ATOM 0 HD21 LEU A 4 4.109 10.432 -6.248 1.00 3.02 H new ATOM 0 HD22 LEU A 4 5.599 11.398 -6.132 1.00 3.02 H new ATOM 0 HD23 LEU A 4 5.202 10.552 -7.647 1.00 3.02 H new ATOM 61 N THR A 5 6.549 10.262 -9.444 1.00 3.61 N ATOM 62 CA THR A 5 6.413 11.329 -10.441 1.00 3.63 C ATOM 63 C THR A 5 6.066 12.660 -9.781 1.00 3.38 C ATOM 64 O THR A 5 5.319 12.699 -8.798 1.00 3.11 O ATOM 65 CB THR A 5 5.336 10.995 -11.495 1.00 3.77 C ATOM 66 OG1 THR A 5 4.143 10.530 -10.852 1.00 3.69 O ATOM 67 CG2 THR A 5 5.835 9.942 -12.477 1.00 4.13 C ATOM 0 H THR A 5 5.671 9.803 -9.201 1.00 3.61 H new ATOM 0 HA THR A 5 7.379 11.412 -10.939 1.00 3.63 H new ATOM 0 HB THR A 5 5.116 11.907 -12.051 1.00 3.77 H new ATOM 0 HG1 THR A 5 3.466 10.323 -11.529 1.00 3.69 H new ATOM 0 HG21 THR A 5 5.055 9.727 -13.207 1.00 4.13 H new ATOM 0 HG22 THR A 5 6.721 10.315 -12.991 1.00 4.13 H new ATOM 0 HG23 THR A 5 6.086 9.030 -11.936 1.00 4.13 H new ATOM 75 N GLU A 6 6.618 13.746 -10.336 1.00 3.50 N ATOM 76 CA GLU A 6 6.393 15.106 -9.820 1.00 3.37 C ATOM 77 C GLU A 6 5.057 15.700 -10.289 1.00 3.33 C ATOM 78 O GLU A 6 4.559 16.656 -9.688 1.00 3.18 O ATOM 79 CB GLU A 6 7.540 16.030 -10.241 1.00 3.63 C ATOM 80 CG GLU A 6 8.839 15.783 -9.488 1.00 3.53 C ATOM 81 CD GLU A 6 9.954 16.712 -9.928 1.00 3.85 C ATOM 82 OE1 GLU A 6 10.087 17.802 -9.334 1.00 3.72 O ATOM 83 OE2 GLU A 6 10.694 16.348 -10.866 1.00 4.59 O ATOM 0 H GLU A 6 7.230 13.710 -11.151 1.00 3.50 H new ATOM 0 HA GLU A 6 6.356 15.029 -8.733 1.00 3.37 H new ATOM 0 HB2 GLU A 6 7.721 15.905 -11.309 1.00 3.63 H new ATOM 0 HB3 GLU A 6 7.234 17.065 -10.089 1.00 3.63 H new ATOM 0 HG2 GLU A 6 8.665 15.911 -8.420 1.00 3.53 H new ATOM 0 HG3 GLU A 6 9.151 14.750 -9.639 1.00 3.53 H new ATOM 90 N GLU A 7 4.487 15.128 -11.363 1.00 3.51 N ATOM 91 CA GLU A 7 3.221 15.601 -11.931 1.00 3.59 C ATOM 92 C GLU A 7 2.004 15.202 -11.100 1.00 3.35 C ATOM 93 O GLU A 7 0.939 15.807 -11.250 1.00 3.38 O ATOM 94 CB GLU A 7 3.056 15.108 -13.375 1.00 3.93 C ATOM 95 CG GLU A 7 3.971 15.798 -14.384 1.00 4.45 C ATOM 96 CD GLU A 7 5.389 15.252 -14.369 1.00 5.14 C ATOM 97 OE1 GLU A 7 6.216 15.769 -13.588 1.00 5.54 O ATOM 98 OE2 GLU A 7 5.670 14.310 -15.139 1.00 5.58 O ATOM 0 H GLU A 7 4.890 14.331 -11.856 1.00 3.51 H new ATOM 0 HA GLU A 7 3.270 16.690 -11.920 1.00 3.59 H new ATOM 0 HB2 GLU A 7 3.246 14.035 -13.404 1.00 3.93 H new ATOM 0 HB3 GLU A 7 2.020 15.256 -13.681 1.00 3.93 H new ATOM 0 HG2 GLU A 7 3.553 15.682 -15.384 1.00 4.45 H new ATOM 0 HG3 GLU A 7 3.997 16.867 -14.172 1.00 4.45 H new ATOM 105 N GLN A 8 2.145 14.182 -10.236 1.00 3.16 N ATOM 106 CA GLN A 8 1.042 13.767 -9.364 1.00 2.96 C ATOM 107 C GLN A 8 0.705 14.895 -8.422 1.00 2.69 C ATOM 108 O GLN A 8 -0.461 15.147 -8.137 1.00 2.63 O ATOM 109 CB GLN A 8 1.373 12.480 -8.592 1.00 2.87 C ATOM 110 CG GLN A 8 1.444 11.227 -9.461 1.00 3.23 C ATOM 111 CD GLN A 8 0.086 10.592 -9.695 1.00 3.13 C ATOM 112 OE1 GLN A 8 -0.602 10.911 -10.664 1.00 3.27 O ATOM 113 NE2 GLN A 8 -0.305 9.687 -8.806 1.00 3.29 N ATOM 0 H GLN A 8 3.001 13.639 -10.126 1.00 3.16 H new ATOM 0 HA GLN A 8 0.175 13.541 -9.984 1.00 2.96 H new ATOM 0 HB2 GLN A 8 2.329 12.610 -8.084 1.00 2.87 H new ATOM 0 HB3 GLN A 8 0.619 12.330 -7.819 1.00 2.87 H new ATOM 0 HG2 GLN A 8 1.890 11.483 -10.422 1.00 3.23 H new ATOM 0 HG3 GLN A 8 2.103 10.499 -8.987 1.00 3.23 H new ATOM 0 HE21 GLN A 8 0.298 9.453 -8.017 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -1.208 9.225 -8.912 1.00 3.29 H new ATOM 122 N ILE A 9 1.754 15.562 -7.949 1.00 2.59 N ATOM 123 CA ILE A 9 1.633 16.745 -7.126 1.00 2.41 C ATOM 124 C ILE A 9 0.803 17.783 -7.879 1.00 2.64 C ATOM 125 O ILE A 9 -0.081 18.411 -7.299 1.00 2.55 O ATOM 126 CB ILE A 9 3.043 17.268 -6.780 1.00 2.42 C ATOM 127 CG1 ILE A 9 3.624 16.389 -5.674 1.00 2.20 C ATOM 128 CG2 ILE A 9 3.039 18.747 -6.410 1.00 2.45 C ATOM 129 CD1 ILE A 9 4.422 15.222 -6.207 1.00 2.35 C ATOM 0 H ILE A 9 2.719 15.287 -8.133 1.00 2.59 H new ATOM 0 HA ILE A 9 1.125 16.521 -6.188 1.00 2.41 H new ATOM 0 HB ILE A 9 3.680 17.202 -7.662 1.00 2.42 H new ATOM 0 HG12 ILE A 9 4.263 16.996 -5.032 1.00 2.20 H new ATOM 0 HG13 ILE A 9 2.812 16.013 -5.052 1.00 2.20 H new ATOM 0 HG21 ILE A 9 4.054 19.066 -6.175 1.00 2.45 H new ATOM 0 HG22 ILE A 9 2.660 19.331 -7.249 1.00 2.45 H new ATOM 0 HG23 ILE A 9 2.400 18.903 -5.541 1.00 2.45 H new ATOM 0 HD11 ILE A 9 4.809 14.635 -5.374 1.00 2.35 H new ATOM 0 HD12 ILE A 9 3.780 14.595 -6.826 1.00 2.35 H new ATOM 0 HD13 ILE A 9 5.253 15.593 -6.806 1.00 2.35 H new ATOM 141 N ALA A 10 1.108 17.942 -9.185 1.00 2.97 N ATOM 142 CA ALA A 10 0.337 18.831 -10.064 1.00 3.26 C ATOM 143 C ALA A 10 -1.134 18.432 -10.068 1.00 3.27 C ATOM 144 O ALA A 10 -2.015 19.275 -10.265 1.00 3.43 O ATOM 145 CB ALA A 10 0.908 18.835 -11.474 1.00 3.61 C ATOM 0 H ALA A 10 1.882 17.465 -9.648 1.00 2.97 H new ATOM 0 HA ALA A 10 0.413 19.846 -9.675 1.00 3.26 H new ATOM 0 HB1 ALA A 10 0.318 19.501 -12.104 1.00 3.61 H new ATOM 0 HB2 ALA A 10 1.941 19.181 -11.447 1.00 3.61 H new ATOM 0 HB3 ALA A 10 0.874 17.825 -11.883 1.00 3.61 H new ATOM 151 N GLU A 11 -1.384 17.132 -9.850 1.00 3.14 N ATOM 152 CA GLU A 11 -2.748 16.613 -9.742 1.00 3.18 C ATOM 153 C GLU A 11 -3.253 16.803 -8.323 1.00 2.87 C ATOM 154 O GLU A 11 -4.458 16.933 -8.085 1.00 2.94 O ATOM 155 CB GLU A 11 -2.798 15.133 -10.095 1.00 3.24 C ATOM 156 CG GLU A 11 -2.558 14.837 -11.570 1.00 3.63 C ATOM 157 CD GLU A 11 -2.657 13.360 -11.898 1.00 3.78 C ATOM 158 OE1 GLU A 11 -3.777 12.811 -11.838 1.00 4.13 O ATOM 159 OE2 GLU A 11 -1.614 12.754 -12.222 1.00 3.90 O ATOM 0 H GLU A 11 -0.657 16.424 -9.746 1.00 3.14 H new ATOM 0 HA GLU A 11 -3.379 17.161 -10.442 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -2.051 14.604 -9.503 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -3.772 14.735 -9.809 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -3.284 15.387 -12.169 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -1.570 15.202 -11.853 1.00 3.63 H new ATOM 166 N PHE A 12 -2.299 16.814 -7.390 1.00 2.56 N ATOM 167 CA PHE A 12 -2.580 17.001 -5.972 1.00 2.24 C ATOM 168 C PHE A 12 -2.997 18.447 -5.667 1.00 2.30 C ATOM 169 O PHE A 12 -3.876 18.667 -4.828 1.00 2.22 O ATOM 170 CB PHE A 12 -1.354 16.617 -5.130 1.00 1.94 C ATOM 171 CG PHE A 12 -1.080 15.123 -5.010 1.00 1.85 C ATOM 172 CD1 PHE A 12 -1.775 14.178 -5.768 1.00 2.28 C ATOM 173 CD2 PHE A 12 -0.132 14.661 -4.104 1.00 2.07 C ATOM 174 CE1 PHE A 12 -1.530 12.833 -5.612 1.00 2.34 C ATOM 175 CE2 PHE A 12 0.114 13.309 -3.956 1.00 2.03 C ATOM 176 CZ PHE A 12 -0.597 12.394 -4.714 1.00 1.90 C ATOM 0 H PHE A 12 -1.308 16.693 -7.601 1.00 2.56 H new ATOM 0 HA PHE A 12 -3.413 16.349 -5.710 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -0.475 17.096 -5.561 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -1.481 17.027 -4.128 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -2.513 14.507 -6.485 1.00 2.28 H new ATOM 0 HD2 PHE A 12 0.421 15.370 -3.506 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -2.080 12.117 -6.205 1.00 2.34 H new ATOM 0 HE2 PHE A 12 0.858 12.967 -3.252 1.00 2.03 H new ATOM 0 HZ PHE A 12 -0.415 11.336 -4.596 1.00 1.90 H new ATOM 186 N LYS A 13 -2.366 19.436 -6.349 1.00 2.51 N ATOM 187 CA LYS A 13 -2.712 20.856 -6.135 1.00 2.67 C ATOM 188 C LYS A 13 -4.003 21.238 -6.847 1.00 2.96 C ATOM 189 O LYS A 13 -4.625 22.240 -6.497 1.00 3.07 O ATOM 190 CB LYS A 13 -1.577 21.824 -6.528 1.00 2.86 C ATOM 191 CG LYS A 13 -0.764 21.431 -7.765 1.00 3.04 C ATOM 192 CD LYS A 13 0.723 21.259 -7.433 1.00 2.93 C ATOM 193 CE LYS A 13 1.461 22.593 -7.299 1.00 3.15 C ATOM 194 NZ LYS A 13 1.634 23.275 -8.614 1.00 3.58 N ATOM 0 H LYS A 13 -1.630 19.277 -7.037 1.00 2.51 H new ATOM 0 HA LYS A 13 -2.864 20.959 -5.061 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -2.009 22.810 -6.699 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -0.895 21.917 -5.683 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -1.155 20.501 -8.177 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -0.880 22.194 -8.534 1.00 3.04 H new ATOM 0 HD2 LYS A 13 0.820 20.701 -6.502 1.00 2.93 H new ATOM 0 HD3 LYS A 13 1.198 20.664 -8.213 1.00 2.93 H new ATOM 0 HE2 LYS A 13 0.909 23.246 -6.623 1.00 3.15 H new ATOM 0 HE3 LYS A 13 2.439 22.422 -6.849 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 2.280 24.083 -8.504 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 2.031 22.605 -9.303 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 0.711 23.614 -8.953 1.00 3.58 H new ATOM 208 N GLU A 14 -4.404 20.443 -7.850 1.00 3.12 N ATOM 209 CA GLU A 14 -5.660 20.692 -8.566 1.00 3.43 C ATOM 210 C GLU A 14 -6.859 20.370 -7.662 1.00 3.34 C ATOM 211 O GLU A 14 -7.922 20.987 -7.779 1.00 3.56 O ATOM 212 CB GLU A 14 -5.729 19.852 -9.847 1.00 3.67 C ATOM 213 CG GLU A 14 -4.816 20.348 -10.959 1.00 4.07 C ATOM 214 CD GLU A 14 -4.910 19.500 -12.212 1.00 4.36 C ATOM 215 OE1 GLU A 14 -4.134 18.529 -12.331 1.00 4.71 O ATOM 216 OE2 GLU A 14 -5.760 19.807 -13.074 1.00 4.52 O ATOM 0 H GLU A 14 -3.882 19.631 -8.180 1.00 3.12 H new ATOM 0 HA GLU A 14 -5.695 21.746 -8.840 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -5.468 18.821 -9.608 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -6.757 19.845 -10.210 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -5.073 21.379 -11.202 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -3.786 20.352 -10.604 1.00 4.07 H new ATOM 223 N ALA A 15 -6.659 19.392 -6.762 1.00 3.04 N ATOM 224 CA ALA A 15 -7.692 18.953 -5.820 1.00 2.97 C ATOM 225 C ALA A 15 -7.692 19.745 -4.515 1.00 2.76 C ATOM 226 O ALA A 15 -8.692 20.374 -4.178 1.00 2.91 O ATOM 227 CB ALA A 15 -7.537 17.458 -5.531 1.00 2.84 C ATOM 0 H ALA A 15 -5.777 18.887 -6.671 1.00 3.04 H new ATOM 0 HA ALA A 15 -8.653 19.142 -6.298 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -8.309 17.141 -4.830 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -7.637 16.896 -6.459 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -6.555 17.271 -5.098 1.00 2.84 H new ATOM 233 N PHE A 16 -6.574 19.693 -3.771 1.00 2.45 N ATOM 234 CA PHE A 16 -6.437 20.401 -2.484 1.00 2.28 C ATOM 235 C PHE A 16 -6.901 21.850 -2.596 1.00 2.56 C ATOM 236 O PHE A 16 -7.587 22.366 -1.714 1.00 2.60 O ATOM 237 CB PHE A 16 -4.971 20.367 -2.039 1.00 2.02 C ATOM 238 CG PHE A 16 -4.689 20.837 -0.625 1.00 1.86 C ATOM 239 CD1 PHE A 16 -4.861 22.170 -0.253 1.00 2.18 C ATOM 240 CD2 PHE A 16 -4.207 19.942 0.319 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.562 22.581 1.035 1.00 2.21 C ATOM 242 CE2 PHE A 16 -3.914 20.349 1.597 1.00 2.07 C ATOM 243 CZ PHE A 16 -4.091 21.662 1.958 1.00 1.79 C ATOM 0 H PHE A 16 -5.745 19.164 -4.041 1.00 2.45 H new ATOM 0 HA PHE A 16 -7.065 19.899 -1.748 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -4.606 19.345 -2.139 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -4.390 20.982 -2.727 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -5.229 22.885 -0.973 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -4.060 18.908 0.044 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -4.696 23.614 1.319 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -3.544 19.636 2.319 1.00 2.07 H new ATOM 0 HZ PHE A 16 -3.862 21.979 2.965 1.00 1.79 H new ATOM 253 N SER A 17 -6.527 22.480 -3.703 1.00 2.80 N ATOM 254 CA SER A 17 -6.860 23.861 -3.956 1.00 3.11 C ATOM 255 C SER A 17 -8.338 24.076 -4.245 1.00 3.36 C ATOM 256 O SER A 17 -8.826 25.206 -4.141 1.00 3.59 O ATOM 257 CB SER A 17 -6.019 24.415 -5.099 1.00 3.33 C ATOM 258 OG SER A 17 -4.654 24.509 -4.731 1.00 3.30 O ATOM 0 H SER A 17 -5.984 22.040 -4.446 1.00 2.80 H new ATOM 0 HA SER A 17 -6.634 24.403 -3.038 1.00 3.11 H new ATOM 0 HB2 SER A 17 -6.119 23.772 -5.973 1.00 3.33 H new ATOM 0 HB3 SER A 17 -6.390 25.399 -5.384 1.00 3.33 H new ATOM 0 HG SER A 17 -4.146 23.798 -5.174 1.00 3.30 H new ATOM 264 N LEU A 18 -9.058 23.007 -4.621 1.00 3.35 N ATOM 265 CA LEU A 18 -10.476 23.130 -4.910 1.00 3.63 C ATOM 266 C LEU A 18 -11.254 23.406 -3.627 1.00 3.56 C ATOM 267 O LEU A 18 -12.394 23.879 -3.642 1.00 3.81 O ATOM 268 CB LEU A 18 -10.985 21.892 -5.661 1.00 3.72 C ATOM 269 CG LEU A 18 -11.534 20.772 -4.791 1.00 3.54 C ATOM 270 CD1 LEU A 18 -13.038 20.920 -4.586 1.00 3.79 C ATOM 271 CD2 LEU A 18 -11.210 19.401 -5.366 1.00 3.53 C ATOM 0 H LEU A 18 -8.679 22.066 -4.728 1.00 3.35 H new ATOM 0 HA LEU A 18 -10.638 23.982 -5.570 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -11.766 22.206 -6.353 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -10.168 21.493 -6.262 1.00 3.72 H new ATOM 0 HG LEU A 18 -11.044 20.852 -3.821 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -13.402 20.105 -3.960 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -13.247 21.873 -4.099 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -13.542 20.888 -5.552 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -11.619 18.628 -4.716 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -11.650 19.310 -6.359 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -10.129 19.282 -5.436 1.00 3.53 H new ATOM 283 N PHE A 19 -10.584 23.088 -2.541 1.00 3.24 N ATOM 284 CA PHE A 19 -11.099 23.282 -1.193 1.00 3.16 C ATOM 285 C PHE A 19 -10.255 24.337 -0.477 1.00 3.11 C ATOM 286 O PHE A 19 -10.471 24.626 0.702 1.00 3.07 O ATOM 287 CB PHE A 19 -11.036 21.969 -0.404 1.00 2.89 C ATOM 288 CG PHE A 19 -11.813 20.816 -0.995 1.00 3.01 C ATOM 289 CD1 PHE A 19 -13.201 20.794 -0.961 1.00 3.31 C ATOM 290 CD2 PHE A 19 -11.147 19.744 -1.570 1.00 3.27 C ATOM 291 CE1 PHE A 19 -13.905 19.727 -1.489 1.00 3.50 C ATOM 292 CE2 PHE A 19 -11.846 18.678 -2.101 1.00 3.41 C ATOM 293 CZ PHE A 19 -13.226 18.668 -2.060 1.00 3.37 C ATOM 0 H PHE A 19 -9.649 22.680 -2.565 1.00 3.24 H new ATOM 0 HA PHE A 19 -12.136 23.610 -1.256 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -9.992 21.671 -0.312 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -11.405 22.154 0.605 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -13.737 21.620 -0.517 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -10.068 19.743 -1.603 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -14.984 19.722 -1.455 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -11.313 17.852 -2.548 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.774 17.834 -2.473 1.00 3.37 H new ATOM 303 N ALA A 20 -9.302 24.923 -1.223 1.00 3.18 N ATOM 304 CA ALA A 20 -8.356 25.932 -0.678 1.00 3.22 C ATOM 305 C ALA A 20 -9.024 27.114 0.051 1.00 3.51 C ATOM 306 O ALA A 20 -9.792 27.878 -0.545 1.00 3.80 O ATOM 307 CB ALA A 20 -7.455 26.469 -1.783 1.00 3.38 C ATOM 0 H ALA A 20 -9.160 24.718 -2.212 1.00 3.18 H new ATOM 0 HA ALA A 20 -7.775 25.397 0.073 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -6.769 27.206 -1.367 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -6.885 25.648 -2.219 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -8.066 26.937 -2.555 1.00 3.38 H new ATOM 313 N LYS A 21 -8.719 27.233 1.358 1.00 3.61 N ATOM 314 CA LYS A 21 -9.218 28.324 2.204 1.00 3.95 C ATOM 315 C LYS A 21 -8.421 29.626 1.991 1.00 3.96 C ATOM 316 O LYS A 21 -7.443 29.644 1.237 1.00 4.13 O ATOM 317 CB LYS A 21 -9.168 27.910 3.681 1.00 4.48 C ATOM 318 CG LYS A 21 -10.514 27.428 4.234 1.00 5.04 C ATOM 319 CD LYS A 21 -11.094 26.256 3.437 1.00 4.99 C ATOM 320 CE LYS A 21 -10.326 24.975 3.679 1.00 5.12 C ATOM 321 NZ LYS A 21 -11.089 23.773 3.240 1.00 5.47 N ATOM 0 H LYS A 21 -8.119 26.573 1.853 1.00 3.61 H new ATOM 0 HA LYS A 21 -10.251 28.519 1.916 1.00 3.95 H new ATOM 0 HB2 LYS A 21 -8.431 27.116 3.801 1.00 4.48 H new ATOM 0 HB3 LYS A 21 -8.824 28.757 4.275 1.00 4.48 H new ATOM 0 HG2 LYS A 21 -10.388 27.128 5.274 1.00 5.04 H new ATOM 0 HG3 LYS A 21 -11.224 28.255 4.224 1.00 5.04 H new ATOM 0 HD2 LYS A 21 -12.138 26.111 3.713 1.00 4.99 H new ATOM 0 HD3 LYS A 21 -11.075 26.495 2.374 1.00 4.99 H new ATOM 0 HE2 LYS A 21 -9.376 25.016 3.146 1.00 5.12 H new ATOM 0 HE3 LYS A 21 -10.092 24.888 4.740 1.00 5.12 H new ATOM 0 HZ1 LYS A 21 -10.826 22.959 3.832 1.00 5.47 H new ATOM 0 HZ2 LYS A 21 -12.108 23.955 3.335 1.00 5.47 H new ATOM 0 HZ3 LYS A 21 -10.866 23.564 2.246 1.00 5.47 H new ATOM 335 N ASP A 22 -8.853 30.706 2.664 1.00 4.12 N ATOM 336 CA ASP A 22 -8.209 32.016 2.564 1.00 4.45 C ATOM 337 C ASP A 22 -7.043 32.193 3.552 1.00 4.42 C ATOM 338 O ASP A 22 -6.183 33.054 3.342 1.00 4.77 O ATOM 339 CB ASP A 22 -9.238 33.129 2.783 1.00 4.96 C ATOM 340 CG ASP A 22 -10.213 33.260 1.628 1.00 5.21 C ATOM 341 OD1 ASP A 22 -11.269 32.593 1.664 1.00 5.70 O ATOM 342 OD2 ASP A 22 -9.921 34.029 0.688 1.00 5.20 O ATOM 0 H ASP A 22 -9.658 30.690 3.290 1.00 4.12 H new ATOM 0 HA ASP A 22 -7.792 32.079 1.559 1.00 4.45 H new ATOM 0 HB2 ASP A 22 -9.792 32.930 3.700 1.00 4.96 H new ATOM 0 HB3 ASP A 22 -8.718 34.077 2.923 1.00 4.96 H new ATOM 347 N GLY A 23 -7.019 31.379 4.625 1.00 4.20 N ATOM 348 CA GLY A 23 -5.968 31.469 5.649 1.00 4.32 C ATOM 349 C GLY A 23 -4.575 31.097 5.147 1.00 4.21 C ATOM 350 O GLY A 23 -4.080 31.693 4.187 1.00 4.37 O ATOM 0 H GLY A 23 -7.715 30.655 4.802 1.00 4.20 H new ATOM 0 HA2 GLY A 23 -5.942 32.486 6.039 1.00 4.32 H new ATOM 0 HA3 GLY A 23 -6.229 30.815 6.481 1.00 4.32 H new ATOM 354 N ASP A 24 -3.949 30.106 5.807 1.00 3.98 N ATOM 355 CA ASP A 24 -2.596 29.631 5.442 1.00 3.89 C ATOM 356 C ASP A 24 -2.605 28.842 4.123 1.00 3.62 C ATOM 357 O ASP A 24 -1.549 28.547 3.554 1.00 3.56 O ATOM 358 CB ASP A 24 -2.019 28.761 6.563 1.00 3.77 C ATOM 359 CG ASP A 24 -1.674 29.560 7.806 1.00 4.13 C ATOM 360 OD1 ASP A 24 -0.526 30.042 7.903 1.00 4.50 O ATOM 361 OD2 ASP A 24 -2.553 29.706 8.682 1.00 4.32 O ATOM 0 H ASP A 24 -4.359 29.614 6.601 1.00 3.98 H new ATOM 0 HA ASP A 24 -1.967 30.510 5.303 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -2.740 27.986 6.823 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -1.124 28.256 6.201 1.00 3.77 H new ATOM 366 N GLY A 25 -3.816 28.517 3.660 1.00 3.50 N ATOM 367 CA GLY A 25 -4.009 27.786 2.416 1.00 3.30 C ATOM 368 C GLY A 25 -4.069 26.317 2.698 1.00 2.90 C ATOM 369 O GLY A 25 -3.301 25.519 2.153 1.00 2.69 O ATOM 0 H GLY A 25 -4.684 28.755 4.140 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -4.930 28.111 1.931 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -3.193 28.001 1.726 1.00 3.30 H new ATOM 373 N THR A 26 -5.016 25.987 3.572 1.00 2.85 N ATOM 374 CA THR A 26 -5.216 24.633 4.032 1.00 2.53 C ATOM 375 C THR A 26 -6.577 24.069 3.625 1.00 2.45 C ATOM 376 O THR A 26 -7.369 24.752 2.970 1.00 2.66 O ATOM 377 CB THR A 26 -5.097 24.563 5.561 1.00 2.59 C ATOM 378 OG1 THR A 26 -6.114 25.345 6.200 1.00 2.84 O ATOM 379 CG2 THR A 26 -3.741 25.030 5.989 1.00 2.74 C ATOM 0 H THR A 26 -5.665 26.661 3.978 1.00 2.85 H new ATOM 0 HA THR A 26 -4.440 24.031 3.559 1.00 2.53 H new ATOM 0 HB THR A 26 -5.234 23.525 5.865 1.00 2.59 H new ATOM 0 HG1 THR A 26 -6.328 24.954 7.073 1.00 2.84 H new ATOM 0 HG21 THR A 26 -3.664 24.977 7.075 1.00 2.74 H new ATOM 0 HG22 THR A 26 -2.978 24.394 5.540 1.00 2.74 H new ATOM 0 HG23 THR A 26 -3.591 26.060 5.664 1.00 2.74 H new ATOM 387 N ILE A 27 -6.834 22.810 4.028 1.00 2.21 N ATOM 388 CA ILE A 27 -8.111 22.129 3.741 1.00 2.22 C ATOM 389 C ILE A 27 -8.440 21.175 4.889 1.00 2.15 C ATOM 390 O ILE A 27 -7.747 21.168 5.898 1.00 2.13 O ATOM 391 CB ILE A 27 -8.144 21.370 2.370 1.00 2.13 C ATOM 392 CG1 ILE A 27 -7.142 20.205 2.358 1.00 1.82 C ATOM 393 CG2 ILE A 27 -7.919 22.338 1.207 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.358 19.222 1.224 1.00 1.79 C ATOM 0 H ILE A 27 -6.171 22.242 4.555 1.00 2.21 H new ATOM 0 HA ILE A 27 -8.869 22.908 3.656 1.00 2.22 H new ATOM 0 HB ILE A 27 -9.136 20.936 2.241 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -6.132 20.608 2.289 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -7.208 19.671 3.306 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -7.946 21.789 0.266 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -8.703 23.096 1.208 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -6.948 22.820 1.318 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.613 18.429 1.283 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -8.355 18.789 1.303 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -7.262 19.740 0.270 1.00 1.79 H new ATOM 406 N THR A 28 -9.505 20.402 4.749 1.00 2.23 N ATOM 407 CA THR A 28 -9.899 19.452 5.790 1.00 2.29 C ATOM 408 C THR A 28 -9.501 18.034 5.373 1.00 2.17 C ATOM 409 O THR A 28 -8.832 17.851 4.350 1.00 2.04 O ATOM 410 CB THR A 28 -11.415 19.540 6.130 1.00 2.57 C ATOM 411 OG1 THR A 28 -12.208 19.056 5.036 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.839 20.969 6.465 1.00 3.10 C ATOM 0 H THR A 28 -10.113 20.410 3.930 1.00 2.23 H new ATOM 0 HA THR A 28 -9.367 19.716 6.704 1.00 2.29 H new ATOM 0 HB THR A 28 -11.581 18.916 7.008 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.648 19.811 4.592 1.00 2.86 H new ATOM 0 HG21 THR A 28 -12.904 20.988 6.696 1.00 3.10 H new ATOM 0 HG22 THR A 28 -11.274 21.324 7.327 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.642 21.617 5.611 1.00 3.10 H new ATOM 420 N THR A 29 -9.908 17.040 6.161 1.00 2.30 N ATOM 421 CA THR A 29 -9.526 15.655 5.905 1.00 2.30 C ATOM 422 C THR A 29 -10.456 14.892 4.966 1.00 2.50 C ATOM 423 O THR A 29 -9.985 14.231 4.037 1.00 2.44 O ATOM 424 CB THR A 29 -9.376 14.883 7.201 1.00 2.48 C ATOM 425 OG1 THR A 29 -10.486 15.128 8.076 1.00 2.75 O ATOM 426 CG2 THR A 29 -8.076 15.292 7.857 1.00 2.32 C ATOM 0 H THR A 29 -10.501 17.169 6.981 1.00 2.30 H new ATOM 0 HA THR A 29 -8.568 15.730 5.390 1.00 2.30 H new ATOM 0 HB THR A 29 -9.361 13.814 6.989 1.00 2.48 H new ATOM 0 HG1 THR A 29 -10.368 14.618 8.905 1.00 2.75 H new ATOM 0 HG21 THR A 29 -7.952 14.745 8.792 1.00 2.32 H new ATOM 0 HG22 THR A 29 -7.244 15.064 7.190 1.00 2.32 H new ATOM 0 HG23 THR A 29 -8.093 16.362 8.062 1.00 2.32 H new ATOM 434 N LYS A 30 -11.767 14.962 5.217 1.00 2.77 N ATOM 435 CA LYS A 30 -12.768 14.262 4.387 1.00 3.04 C ATOM 436 C LYS A 30 -12.629 14.615 2.898 1.00 2.98 C ATOM 437 O LYS A 30 -12.810 13.759 2.028 1.00 3.14 O ATOM 438 CB LYS A 30 -14.190 14.595 4.867 1.00 3.33 C ATOM 439 CG LYS A 30 -14.577 13.943 6.194 1.00 3.42 C ATOM 440 CD LYS A 30 -14.134 14.779 7.391 1.00 3.38 C ATOM 441 CE LYS A 30 -14.551 14.142 8.710 1.00 3.68 C ATOM 442 NZ LYS A 30 -16.017 14.263 8.955 1.00 3.70 N ATOM 0 H LYS A 30 -12.166 15.496 5.989 1.00 2.77 H new ATOM 0 HA LYS A 30 -12.586 13.193 4.497 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -14.283 15.676 4.967 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -14.901 14.283 4.102 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -15.658 13.804 6.228 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -14.126 12.953 6.257 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -13.051 14.897 7.371 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -14.565 15.777 7.317 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -14.270 13.089 8.708 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -14.007 14.615 9.528 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -16.250 13.846 9.879 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -16.288 15.267 8.950 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -16.537 13.760 8.207 1.00 3.70 H new ATOM 456 N GLU A 31 -12.305 15.883 2.633 1.00 2.81 N ATOM 457 CA GLU A 31 -12.134 16.395 1.268 1.00 2.81 C ATOM 458 C GLU A 31 -10.696 16.254 0.746 1.00 2.52 C ATOM 459 O GLU A 31 -10.471 16.432 -0.456 1.00 2.57 O ATOM 460 CB GLU A 31 -12.579 17.863 1.203 1.00 2.89 C ATOM 461 CG GLU A 31 -14.061 18.074 1.507 1.00 3.24 C ATOM 462 CD GLU A 31 -14.389 19.503 1.905 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.871 19.967 2.943 1.00 3.26 O ATOM 464 OE2 GLU A 31 -15.174 20.154 1.184 1.00 3.60 O ATOM 0 H GLU A 31 -12.153 16.585 3.357 1.00 2.81 H new ATOM 0 HA GLU A 31 -12.762 15.784 0.619 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -11.987 18.444 1.910 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -12.363 18.254 0.209 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -14.648 17.804 0.629 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -14.361 17.401 2.311 1.00 3.24 H new ATOM 471 N LEU A 32 -9.716 15.933 1.624 1.00 2.26 N ATOM 472 CA LEU A 32 -8.321 15.795 1.167 1.00 1.98 C ATOM 473 C LEU A 32 -8.074 14.479 0.469 1.00 2.07 C ATOM 474 O LEU A 32 -7.278 14.410 -0.461 1.00 1.98 O ATOM 475 CB LEU A 32 -7.289 16.013 2.269 1.00 1.69 C ATOM 476 CG LEU A 32 -7.252 15.090 3.489 1.00 1.74 C ATOM 477 CD1 LEU A 32 -6.556 13.757 3.226 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.488 15.826 4.529 1.00 1.59 C ATOM 0 H LEU A 32 -9.862 15.770 2.620 1.00 2.26 H new ATOM 0 HA LEU A 32 -8.187 16.600 0.444 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -6.305 15.969 1.802 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.422 17.030 2.638 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.274 14.847 3.780 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -6.568 13.155 4.135 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.078 13.224 2.431 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -5.524 13.938 2.924 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -6.424 15.219 5.432 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.484 16.037 4.162 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -6.995 16.764 4.758 1.00 1.59 H new ATOM 490 N GLY A 33 -8.716 13.425 0.958 1.00 2.31 N ATOM 491 CA GLY A 33 -8.610 12.130 0.303 1.00 2.52 C ATOM 492 C GLY A 33 -9.202 12.197 -1.074 1.00 2.75 C ATOM 493 O GLY A 33 -8.955 11.337 -1.908 1.00 2.91 O ATOM 0 H GLY A 33 -9.305 13.440 1.791 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -7.564 11.829 0.243 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -9.126 11.373 0.893 1.00 2.52 H new ATOM 497 N THR A 34 -10.029 13.236 -1.278 1.00 2.81 N ATOM 498 CA THR A 34 -10.630 13.517 -2.566 1.00 3.07 C ATOM 499 C THR A 34 -9.539 13.985 -3.508 1.00 2.93 C ATOM 500 O THR A 34 -9.680 13.997 -4.732 1.00 3.16 O ATOM 501 CB THR A 34 -11.805 14.528 -2.480 1.00 3.23 C ATOM 502 OG1 THR A 34 -12.591 14.264 -1.310 1.00 3.30 O ATOM 503 CG2 THR A 34 -12.707 14.449 -3.710 1.00 3.60 C ATOM 0 H THR A 34 -10.291 13.897 -0.547 1.00 2.81 H new ATOM 0 HA THR A 34 -11.081 12.603 -2.951 1.00 3.07 H new ATOM 0 HB THR A 34 -11.375 15.528 -2.429 1.00 3.23 H new ATOM 0 HG1 THR A 34 -13.414 14.796 -1.342 1.00 3.30 H new ATOM 0 HG21 THR A 34 -13.518 15.171 -3.614 1.00 3.60 H new ATOM 0 HG22 THR A 34 -12.125 14.674 -4.603 1.00 3.60 H new ATOM 0 HG23 THR A 34 -13.123 13.445 -3.792 1.00 3.60 H new ATOM 511 N VAL A 35 -8.457 14.371 -2.860 1.00 2.56 N ATOM 512 CA VAL A 35 -7.213 14.750 -3.520 1.00 2.39 C ATOM 513 C VAL A 35 -6.523 13.452 -3.857 1.00 2.44 C ATOM 514 O VAL A 35 -5.906 13.335 -4.909 1.00 2.53 O ATOM 515 CB VAL A 35 -6.199 15.579 -2.650 1.00 2.01 C ATOM 516 CG1 VAL A 35 -4.880 15.798 -3.392 1.00 1.92 C ATOM 517 CG2 VAL A 35 -6.736 16.927 -2.225 1.00 2.02 C ATOM 0 H VAL A 35 -8.412 14.433 -1.843 1.00 2.56 H new ATOM 0 HA VAL A 35 -7.481 15.388 -4.362 1.00 2.39 H new ATOM 0 HB VAL A 35 -6.036 14.979 -1.755 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -4.201 16.374 -2.764 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -4.429 14.833 -3.625 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -5.069 16.343 -4.317 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -5.986 17.446 -1.628 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -6.970 17.520 -3.109 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.639 16.788 -1.631 1.00 2.02 H new ATOM 527 N MET A 36 -6.643 12.471 -2.936 1.00 2.44 N ATOM 528 CA MET A 36 -5.997 11.196 -3.131 1.00 2.55 C ATOM 529 C MET A 36 -6.807 10.252 -4.029 1.00 2.97 C ATOM 530 O MET A 36 -6.235 9.578 -4.891 1.00 3.11 O ATOM 531 CB MET A 36 -5.733 10.530 -1.782 1.00 2.49 C ATOM 532 CG MET A 36 -4.430 9.742 -1.718 1.00 2.24 C ATOM 533 SD MET A 36 -4.238 8.826 -0.172 1.00 2.48 S ATOM 534 CE MET A 36 -3.701 10.120 0.948 1.00 1.96 C ATOM 0 H MET A 36 -7.176 12.554 -2.071 1.00 2.44 H new ATOM 0 HA MET A 36 -5.053 11.393 -3.640 1.00 2.55 H new ATOM 0 HB2 MET A 36 -5.719 11.297 -1.008 1.00 2.49 H new ATOM 0 HB3 MET A 36 -6.561 9.860 -1.552 1.00 2.49 H new ATOM 0 HG2 MET A 36 -4.391 9.045 -2.555 1.00 2.24 H new ATOM 0 HG3 MET A 36 -3.591 10.427 -1.835 1.00 2.24 H new ATOM 0 HE1 MET A 36 -4.184 9.987 1.916 1.00 1.96 H new ATOM 0 HE2 MET A 36 -2.619 10.068 1.072 1.00 1.96 H new ATOM 0 HE3 MET A 36 -3.973 11.092 0.537 1.00 1.96 H new ATOM 544 N ARG A 37 -8.144 10.233 -3.844 1.00 3.18 N ATOM 545 CA ARG A 37 -9.027 9.329 -4.556 1.00 3.60 C ATOM 546 C ARG A 37 -9.184 9.701 -6.045 1.00 3.77 C ATOM 547 O ARG A 37 -9.596 8.869 -6.860 1.00 4.10 O ATOM 548 CB ARG A 37 -10.376 9.319 -3.795 1.00 3.78 C ATOM 549 CG ARG A 37 -11.631 9.318 -4.652 1.00 4.18 C ATOM 550 CD ARG A 37 -11.959 7.925 -5.170 1.00 4.52 C ATOM 551 NE ARG A 37 -13.012 7.948 -6.192 1.00 4.90 N ATOM 552 CZ ARG A 37 -13.424 6.879 -6.888 1.00 5.36 C ATOM 553 NH1 ARG A 37 -12.885 5.677 -6.691 1.00 5.45 N ATOM 554 NH2 ARG A 37 -14.386 7.018 -7.791 1.00 5.91 N ATOM 0 H ARG A 37 -8.627 10.851 -3.192 1.00 3.18 H new ATOM 0 HA ARG A 37 -8.601 8.326 -4.576 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -10.400 8.439 -3.152 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -10.408 10.192 -3.143 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -12.470 9.696 -4.068 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -11.497 9.997 -5.494 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -11.059 7.473 -5.588 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -12.275 7.295 -4.339 1.00 4.52 H new ATOM 0 HE ARG A 37 -13.463 8.842 -6.387 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -12.144 5.557 -6.000 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -13.213 4.876 -7.231 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -14.806 7.933 -7.951 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -14.705 6.210 -8.325 1.00 5.91 H new ATOM 568 N SER A 38 -8.835 10.944 -6.378 1.00 3.57 N ATOM 569 CA SER A 38 -8.945 11.460 -7.752 1.00 3.76 C ATOM 570 C SER A 38 -7.857 10.913 -8.689 1.00 3.81 C ATOM 571 O SER A 38 -7.938 11.106 -9.907 1.00 4.08 O ATOM 572 CB SER A 38 -8.897 12.990 -7.743 1.00 3.59 C ATOM 573 OG SER A 38 -10.128 13.535 -7.300 1.00 3.89 O ATOM 0 H SER A 38 -8.469 11.622 -5.710 1.00 3.57 H new ATOM 0 HA SER A 38 -9.903 11.115 -8.140 1.00 3.76 H new ATOM 0 HB2 SER A 38 -8.091 13.328 -7.092 1.00 3.59 H new ATOM 0 HB3 SER A 38 -8.673 13.356 -8.745 1.00 3.59 H new ATOM 0 HG SER A 38 -10.017 13.904 -6.399 1.00 3.89 H new ATOM 579 N LEU A 39 -6.851 10.229 -8.126 1.00 3.59 N ATOM 580 CA LEU A 39 -5.763 9.667 -8.935 1.00 3.65 C ATOM 581 C LEU A 39 -5.862 8.144 -9.046 1.00 3.91 C ATOM 582 O LEU A 39 -5.175 7.530 -9.869 1.00 4.06 O ATOM 583 CB LEU A 39 -4.394 10.072 -8.382 1.00 3.29 C ATOM 584 CG LEU A 39 -4.212 11.574 -8.186 1.00 3.06 C ATOM 585 CD1 LEU A 39 -4.465 11.936 -6.744 1.00 2.78 C ATOM 586 CD2 LEU A 39 -2.837 12.029 -8.619 1.00 3.19 C ATOM 0 H LEU A 39 -6.769 10.053 -7.125 1.00 3.59 H new ATOM 0 HA LEU A 39 -5.868 10.082 -9.937 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -4.240 9.572 -7.426 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -3.621 9.710 -9.059 1.00 3.29 H new ATOM 0 HG LEU A 39 -4.937 12.090 -8.816 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -4.334 13.010 -6.610 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -5.483 11.658 -6.472 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -3.761 11.402 -6.106 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -2.744 13.104 -8.465 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -2.080 11.511 -8.030 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -2.694 11.800 -9.675 1.00 3.19 H new ATOM 598 N GLY A 40 -6.723 7.548 -8.215 1.00 4.01 N ATOM 599 CA GLY A 40 -6.916 6.104 -8.223 1.00 4.30 C ATOM 600 C GLY A 40 -6.473 5.425 -6.935 1.00 4.16 C ATOM 601 O GLY A 40 -6.267 4.208 -6.920 1.00 4.36 O ATOM 0 H GLY A 40 -7.294 8.046 -7.532 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -7.970 5.887 -8.395 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -6.363 5.676 -9.059 1.00 4.30 H new ATOM 605 N GLN A 41 -6.325 6.209 -5.854 1.00 3.86 N ATOM 606 CA GLN A 41 -5.907 5.681 -4.550 1.00 3.74 C ATOM 607 C GLN A 41 -6.612 6.451 -3.441 1.00 3.60 C ATOM 608 O GLN A 41 -6.405 7.652 -3.294 1.00 3.46 O ATOM 609 CB GLN A 41 -4.380 5.813 -4.367 1.00 3.47 C ATOM 610 CG GLN A 41 -3.540 4.945 -5.300 1.00 3.68 C ATOM 611 CD GLN A 41 -3.471 3.493 -4.861 1.00 3.94 C ATOM 612 OE1 GLN A 41 -2.583 3.102 -4.104 1.00 4.34 O ATOM 613 NE2 GLN A 41 -4.412 2.685 -5.338 1.00 4.15 N ATOM 0 H GLN A 41 -6.490 7.215 -5.861 1.00 3.86 H new ATOM 0 HA GLN A 41 -6.175 4.626 -4.504 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -4.100 6.856 -4.516 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -4.130 5.560 -3.337 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -3.957 4.995 -6.306 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -2.530 5.351 -5.353 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -5.130 3.051 -5.963 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -4.416 1.698 -5.079 1.00 4.15 H new ATOM 622 N ASN A 42 -7.418 5.760 -2.643 1.00 3.76 N ATOM 623 CA ASN A 42 -8.145 6.409 -1.567 1.00 3.68 C ATOM 624 C ASN A 42 -7.480 6.130 -0.199 1.00 3.53 C ATOM 625 O ASN A 42 -6.937 5.039 -0.006 1.00 3.67 O ATOM 626 CB ASN A 42 -9.623 5.967 -1.556 1.00 4.06 C ATOM 627 CG ASN A 42 -9.815 4.455 -1.482 1.00 4.60 C ATOM 628 OD1 ASN A 42 -9.886 3.776 -2.507 1.00 4.82 O ATOM 629 ND2 ASN A 42 -9.900 3.928 -0.267 1.00 5.19 N ATOM 0 H ASN A 42 -7.582 4.756 -2.723 1.00 3.76 H new ATOM 0 HA ASN A 42 -8.113 7.484 -1.744 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -10.124 6.429 -0.705 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -10.111 6.342 -2.456 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -10.029 2.922 -0.155 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -9.836 4.529 0.555 1.00 5.19 H new ATOM 636 N PRO A 43 -7.505 7.096 0.775 1.00 3.30 N ATOM 637 CA PRO A 43 -6.900 6.905 2.106 1.00 3.22 C ATOM 638 C PRO A 43 -7.863 6.249 3.110 1.00 3.54 C ATOM 639 O PRO A 43 -9.044 6.057 2.806 1.00 3.81 O ATOM 640 CB PRO A 43 -6.560 8.344 2.548 1.00 2.89 C ATOM 641 CG PRO A 43 -7.103 9.259 1.487 1.00 2.92 C ATOM 642 CD PRO A 43 -8.082 8.452 0.682 1.00 3.17 C ATOM 0 HA PRO A 43 -6.041 6.236 2.068 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -7.006 8.567 3.517 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -5.483 8.472 2.656 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -7.591 10.125 1.935 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -6.300 9.637 0.854 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -9.089 8.497 1.098 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -8.147 8.799 -0.349 1.00 3.17 H new ATOM 650 N THR A 44 -7.344 5.910 4.305 1.00 3.56 N ATOM 651 CA THR A 44 -8.148 5.283 5.368 1.00 3.90 C ATOM 652 C THR A 44 -9.042 6.326 6.061 1.00 3.85 C ATOM 653 O THR A 44 -8.819 7.528 5.916 1.00 3.54 O ATOM 654 CB THR A 44 -7.257 4.581 6.425 1.00 4.01 C ATOM 655 OG1 THR A 44 -5.999 4.205 5.849 1.00 3.86 O ATOM 656 CG2 THR A 44 -7.942 3.336 6.980 1.00 4.50 C ATOM 0 H THR A 44 -6.367 6.061 4.558 1.00 3.56 H new ATOM 0 HA THR A 44 -8.774 4.528 4.892 1.00 3.90 H new ATOM 0 HB THR A 44 -7.092 5.288 7.238 1.00 4.01 H new ATOM 0 HG1 THR A 44 -5.402 3.877 6.553 1.00 3.86 H new ATOM 0 HG21 THR A 44 -7.295 2.864 7.719 1.00 4.50 H new ATOM 0 HG22 THR A 44 -8.884 3.618 7.450 1.00 4.50 H new ATOM 0 HG23 THR A 44 -8.137 2.636 6.168 1.00 4.50 H new ATOM 664 N GLU A 45 -10.046 5.849 6.810 1.00 4.21 N ATOM 665 CA GLU A 45 -11.000 6.729 7.509 1.00 4.27 C ATOM 666 C GLU A 45 -10.451 7.306 8.822 1.00 4.16 C ATOM 667 O GLU A 45 -10.762 8.449 9.171 1.00 4.02 O ATOM 668 CB GLU A 45 -12.303 5.974 7.792 1.00 4.73 C ATOM 669 CG GLU A 45 -13.166 5.749 6.558 1.00 4.87 C ATOM 670 CD GLU A 45 -14.448 5.003 6.871 1.00 5.41 C ATOM 671 OE1 GLU A 45 -14.440 3.756 6.811 1.00 5.67 O ATOM 672 OE2 GLU A 45 -15.461 5.667 7.177 1.00 5.89 O ATOM 0 H GLU A 45 -10.221 4.854 6.949 1.00 4.21 H new ATOM 0 HA GLU A 45 -11.182 7.571 6.842 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -12.063 5.008 8.236 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -12.880 6.530 8.531 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -13.411 6.712 6.110 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -12.595 5.189 5.817 1.00 4.87 H new ATOM 679 N ALA A 46 -9.641 6.518 9.541 1.00 4.29 N ATOM 680 CA ALA A 46 -9.080 6.947 10.830 1.00 4.30 C ATOM 681 C ALA A 46 -7.715 7.622 10.705 1.00 3.96 C ATOM 682 O ALA A 46 -7.386 8.498 11.511 1.00 3.93 O ATOM 683 CB ALA A 46 -8.962 5.762 11.772 1.00 4.70 C ATOM 0 H ALA A 46 -9.359 5.581 9.253 1.00 4.29 H new ATOM 0 HA ALA A 46 -9.773 7.688 11.228 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -8.545 6.093 12.723 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -9.949 5.330 11.939 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -8.307 5.010 11.331 1.00 4.70 H new ATOM 689 N GLU A 47 -6.926 7.219 9.701 1.00 3.76 N ATOM 690 CA GLU A 47 -5.578 7.760 9.504 1.00 3.47 C ATOM 691 C GLU A 47 -5.556 9.225 9.084 1.00 3.09 C ATOM 692 O GLU A 47 -4.611 9.936 9.427 1.00 2.91 O ATOM 693 CB GLU A 47 -4.781 6.901 8.517 1.00 3.43 C ATOM 694 CG GLU A 47 -4.351 5.554 9.082 1.00 3.78 C ATOM 695 CD GLU A 47 -3.455 4.782 8.133 1.00 3.77 C ATOM 696 OE1 GLU A 47 -3.937 3.805 7.523 1.00 3.72 O ATOM 697 OE2 GLU A 47 -2.270 5.155 8.000 1.00 4.19 O ATOM 0 H GLU A 47 -7.200 6.519 9.012 1.00 3.76 H new ATOM 0 HA GLU A 47 -5.099 7.721 10.482 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -5.385 6.734 7.625 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -3.895 7.452 8.203 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -3.826 5.710 10.025 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -5.236 4.959 9.305 1.00 3.78 H new ATOM 704 N LEU A 48 -6.592 9.684 8.364 1.00 3.03 N ATOM 705 CA LEU A 48 -6.682 11.098 7.931 1.00 2.71 C ATOM 706 C LEU A 48 -6.541 12.046 9.115 1.00 2.75 C ATOM 707 O LEU A 48 -6.165 13.199 8.957 1.00 2.53 O ATOM 708 CB LEU A 48 -8.012 11.414 7.259 1.00 2.77 C ATOM 709 CG LEU A 48 -8.490 10.444 6.190 1.00 2.90 C ATOM 710 CD1 LEU A 48 -10.006 10.318 6.220 1.00 3.19 C ATOM 711 CD2 LEU A 48 -8.024 10.934 4.841 1.00 2.63 C ATOM 0 H LEU A 48 -7.378 9.105 8.068 1.00 3.03 H new ATOM 0 HA LEU A 48 -5.868 11.239 7.220 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -8.778 11.471 8.032 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -7.938 12.404 6.810 1.00 2.77 H new ATOM 0 HG LEU A 48 -8.071 9.456 6.382 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -10.328 9.620 5.448 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -10.321 9.950 7.196 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -10.456 11.294 6.037 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -8.362 10.245 4.067 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -8.438 11.924 4.651 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -6.935 10.987 4.829 1.00 2.63 H new ATOM 723 N GLN A 49 -6.897 11.542 10.292 1.00 3.08 N ATOM 724 CA GLN A 49 -6.795 12.298 11.533 1.00 3.22 C ATOM 725 C GLN A 49 -5.372 12.249 12.102 1.00 3.25 C ATOM 726 O GLN A 49 -4.904 13.244 12.655 1.00 3.25 O ATOM 727 CB GLN A 49 -7.782 11.753 12.573 1.00 3.61 C ATOM 728 CG GLN A 49 -9.246 12.073 12.279 1.00 3.67 C ATOM 729 CD GLN A 49 -9.635 13.489 12.669 1.00 4.10 C ATOM 730 OE1 GLN A 49 -10.067 13.739 13.794 1.00 4.58 O ATOM 731 NE2 GLN A 49 -9.483 14.422 11.736 1.00 4.30 N ATOM 0 H GLN A 49 -7.264 10.598 10.411 1.00 3.08 H new ATOM 0 HA GLN A 49 -7.041 13.336 11.307 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -7.664 10.671 12.636 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -7.523 12.159 13.551 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -9.437 11.930 11.215 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -9.881 11.367 12.815 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -9.121 14.169 10.816 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -9.728 15.391 11.939 1.00 4.30 H new ATOM 740 N ASP A 50 -4.695 11.089 11.969 1.00 3.34 N ATOM 741 CA ASP A 50 -3.335 10.929 12.508 1.00 3.43 C ATOM 742 C ASP A 50 -2.200 11.339 11.550 1.00 3.13 C ATOM 743 O ASP A 50 -1.308 12.081 11.964 1.00 3.13 O ATOM 744 CB ASP A 50 -3.099 9.513 13.001 1.00 3.76 C ATOM 745 CG ASP A 50 -3.968 9.148 14.191 1.00 4.11 C ATOM 746 OD1 ASP A 50 -5.086 8.635 13.974 1.00 4.38 O ATOM 747 OD2 ASP A 50 -3.530 9.374 15.338 1.00 4.38 O ATOM 0 H ASP A 50 -5.064 10.262 11.499 1.00 3.34 H new ATOM 0 HA ASP A 50 -3.295 11.630 13.341 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -3.293 8.814 12.188 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -2.050 9.399 13.275 1.00 3.76 H new ATOM 752 N MET A 51 -2.190 10.852 10.284 1.00 2.93 N ATOM 753 CA MET A 51 -1.099 11.217 9.339 1.00 2.66 C ATOM 754 C MET A 51 -1.158 12.690 8.991 1.00 2.39 C ATOM 755 O MET A 51 -0.135 13.332 8.735 1.00 2.30 O ATOM 756 CB MET A 51 -1.109 10.342 8.088 1.00 2.59 C ATOM 757 CG MET A 51 -2.462 10.241 7.428 1.00 2.35 C ATOM 758 SD MET A 51 -2.625 8.827 6.350 1.00 2.18 S ATOM 759 CE MET A 51 -4.330 9.076 5.961 1.00 2.48 C ATOM 0 H MET A 51 -2.898 10.226 9.901 1.00 2.93 H new ATOM 0 HA MET A 51 -0.151 11.029 9.844 1.00 2.66 H new ATOM 0 HB2 MET A 51 -0.393 10.742 7.370 1.00 2.59 H new ATOM 0 HB3 MET A 51 -0.768 9.341 8.353 1.00 2.59 H new ATOM 0 HG2 MET A 51 -3.231 10.190 8.199 1.00 2.35 H new ATOM 0 HG3 MET A 51 -2.646 11.149 6.854 1.00 2.35 H new ATOM 0 HE1 MET A 51 -4.887 8.161 6.162 1.00 2.48 H new ATOM 0 HE2 MET A 51 -4.729 9.885 6.573 1.00 2.48 H new ATOM 0 HE3 MET A 51 -4.428 9.336 4.907 1.00 2.48 H new ATOM 769 N ILE A 52 -2.377 13.195 8.989 1.00 2.33 N ATOM 770 CA ILE A 52 -2.655 14.592 8.760 1.00 2.15 C ATOM 771 C ILE A 52 -2.285 15.384 10.007 1.00 2.40 C ATOM 772 O ILE A 52 -2.045 16.576 9.948 1.00 2.36 O ATOM 773 CB ILE A 52 -4.139 14.756 8.361 1.00 2.10 C ATOM 774 CG1 ILE A 52 -4.233 14.803 6.849 1.00 1.78 C ATOM 775 CG2 ILE A 52 -4.832 15.962 8.993 1.00 2.22 C ATOM 776 CD1 ILE A 52 -4.778 13.535 6.238 1.00 1.85 C ATOM 0 H ILE A 52 -3.213 12.633 9.150 1.00 2.33 H new ATOM 0 HA ILE A 52 -2.056 14.983 7.938 1.00 2.15 H new ATOM 0 HB ILE A 52 -4.676 13.893 8.755 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -4.869 15.639 6.559 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -3.243 14.998 6.438 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -5.869 16.002 8.660 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -4.803 15.871 10.079 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -4.319 16.875 8.692 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -4.817 13.641 5.154 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -4.130 12.698 6.498 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -5.782 13.349 6.621 1.00 1.85 H new ATOM 788 N ASN A 53 -2.223 14.671 11.127 1.00 2.72 N ATOM 789 CA ASN A 53 -1.851 15.244 12.410 1.00 3.03 C ATOM 790 C ASN A 53 -0.363 15.472 12.470 1.00 3.09 C ATOM 791 O ASN A 53 0.176 16.097 13.381 1.00 3.36 O ATOM 792 CB ASN A 53 -2.307 14.312 13.536 1.00 3.37 C ATOM 793 CG ASN A 53 -2.222 14.931 14.924 1.00 3.66 C ATOM 794 OD1 ASN A 53 -3.174 15.549 15.399 1.00 3.89 O ATOM 795 ND2 ASN A 53 -1.078 14.765 15.577 1.00 3.98 N ATOM 0 H ASN A 53 -2.431 13.673 11.167 1.00 2.72 H new ATOM 0 HA ASN A 53 -2.343 16.209 12.532 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -3.337 14.008 13.347 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -1.698 13.408 13.515 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -0.963 15.157 16.511 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -0.315 14.245 15.144 1.00 3.98 H new ATOM 802 N GLU A 54 0.257 14.880 11.510 1.00 2.90 N ATOM 803 CA GLU A 54 1.690 14.995 11.298 1.00 2.96 C ATOM 804 C GLU A 54 2.000 16.195 10.402 1.00 2.77 C ATOM 805 O GLU A 54 3.134 16.683 10.375 1.00 2.93 O ATOM 806 CB GLU A 54 2.240 13.711 10.662 1.00 2.91 C ATOM 807 CG GLU A 54 2.224 12.506 11.593 1.00 3.22 C ATOM 808 CD GLU A 54 2.723 11.242 10.920 1.00 3.25 C ATOM 809 OE1 GLU A 54 1.893 10.515 10.334 1.00 3.56 O ATOM 810 OE2 GLU A 54 3.942 10.980 10.978 1.00 3.40 O ATOM 0 H GLU A 54 -0.212 14.286 10.826 1.00 2.90 H new ATOM 0 HA GLU A 54 2.171 15.143 12.265 1.00 2.96 H new ATOM 0 HB2 GLU A 54 1.655 13.478 9.772 1.00 2.91 H new ATOM 0 HB3 GLU A 54 3.264 13.890 10.333 1.00 2.91 H new ATOM 0 HG2 GLU A 54 2.843 12.717 12.465 1.00 3.22 H new ATOM 0 HG3 GLU A 54 1.208 12.344 11.954 1.00 3.22 H new ATOM 817 N VAL A 55 0.976 16.656 9.674 1.00 2.49 N ATOM 818 CA VAL A 55 1.124 17.787 8.756 1.00 2.36 C ATOM 819 C VAL A 55 0.100 18.899 8.987 1.00 2.40 C ATOM 820 O VAL A 55 0.352 20.051 8.613 1.00 2.49 O ATOM 821 CB VAL A 55 1.104 17.298 7.271 1.00 1.99 C ATOM 822 CG1 VAL A 55 1.001 18.446 6.263 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.342 16.460 6.978 1.00 2.07 C ATOM 0 H VAL A 55 0.036 16.261 9.704 1.00 2.49 H new ATOM 0 HA VAL A 55 2.096 18.231 8.969 1.00 2.36 H new ATOM 0 HB VAL A 55 0.206 16.691 7.154 1.00 1.99 H new ATOM 0 HG11 VAL A 55 0.992 18.042 5.251 1.00 2.37 H new ATOM 0 HG12 VAL A 55 0.081 19.004 6.439 1.00 2.37 H new ATOM 0 HG13 VAL A 55 1.857 19.111 6.380 1.00 2.37 H new ATOM 0 HG21 VAL A 55 2.317 16.125 5.941 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.236 17.061 7.144 1.00 2.07 H new ATOM 0 HG23 VAL A 55 2.360 15.593 7.639 1.00 2.07 H new ATOM 833 N ALA A 56 -1.020 18.586 9.619 1.00 2.43 N ATOM 834 CA ALA A 56 -2.043 19.594 9.847 1.00 2.53 C ATOM 835 C ALA A 56 -1.993 20.027 11.301 1.00 2.90 C ATOM 836 O ALA A 56 -2.904 20.682 11.821 1.00 3.05 O ATOM 837 CB ALA A 56 -3.405 19.060 9.442 1.00 2.36 C ATOM 0 H ALA A 56 -1.242 17.658 9.978 1.00 2.43 H new ATOM 0 HA ALA A 56 -1.857 20.473 9.229 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -4.162 19.824 9.618 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -3.393 18.797 8.384 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -3.639 18.175 10.033 1.00 2.36 H new ATOM 843 N ALA A 57 -0.879 19.653 11.933 1.00 3.08 N ATOM 844 CA ALA A 57 -0.624 19.966 13.319 1.00 3.45 C ATOM 845 C ALA A 57 0.307 21.147 13.463 1.00 3.67 C ATOM 846 O ALA A 57 1.370 21.219 12.843 1.00 3.69 O ATOM 847 CB ALA A 57 -0.082 18.763 14.061 1.00 3.64 C ATOM 0 H ALA A 57 -0.132 19.122 11.486 1.00 3.08 H new ATOM 0 HA ALA A 57 -1.579 20.241 13.767 1.00 3.45 H new ATOM 0 HB1 ALA A 57 0.100 19.029 15.102 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -0.807 17.951 14.016 1.00 3.64 H new ATOM 0 HB3 ALA A 57 0.852 18.442 13.600 1.00 3.64 H new ATOM 853 N ASP A 58 -0.142 22.047 14.326 1.00 3.94 N ATOM 854 CA ASP A 58 0.511 23.321 14.669 1.00 4.23 C ATOM 855 C ASP A 58 -0.506 24.180 15.411 1.00 4.25 C ATOM 856 O ASP A 58 -0.157 25.196 16.021 1.00 4.54 O ATOM 857 CB ASP A 58 1.009 24.095 13.431 1.00 4.40 C ATOM 858 CG ASP A 58 2.504 23.948 13.216 1.00 4.54 C ATOM 859 OD1 ASP A 58 2.901 23.273 12.244 1.00 4.74 O ATOM 860 OD2 ASP A 58 3.277 24.510 14.021 1.00 4.85 O ATOM 0 H ASP A 58 -1.015 21.910 14.836 1.00 3.94 H new ATOM 0 HA ASP A 58 1.387 23.099 15.279 1.00 4.23 H new ATOM 0 HB2 ASP A 58 0.481 23.738 12.547 1.00 4.40 H new ATOM 0 HB3 ASP A 58 0.764 25.151 13.544 1.00 4.40 H new ATOM 865 N GLY A 59 -1.774 23.739 15.346 1.00 4.05 N ATOM 866 CA GLY A 59 -2.866 24.453 15.994 1.00 4.27 C ATOM 867 C GLY A 59 -3.622 25.363 15.040 1.00 4.03 C ATOM 868 O GLY A 59 -3.781 26.556 15.314 1.00 4.23 O ATOM 0 H GLY A 59 -2.058 22.894 14.851 1.00 4.05 H new ATOM 0 HA2 GLY A 59 -3.559 23.732 16.427 1.00 4.27 H new ATOM 0 HA3 GLY A 59 -2.468 25.047 16.817 1.00 4.27 H new ATOM 872 N ASN A 60 -4.084 24.793 13.920 1.00 3.90 N ATOM 873 CA ASN A 60 -4.835 25.548 12.910 1.00 3.86 C ATOM 874 C ASN A 60 -6.244 24.980 12.736 1.00 3.69 C ATOM 875 O ASN A 60 -7.203 25.723 12.507 1.00 3.78 O ATOM 876 CB ASN A 60 -4.084 25.535 11.572 1.00 3.90 C ATOM 877 CG ASN A 60 -4.408 26.738 10.703 1.00 4.10 C ATOM 878 OD1 ASN A 60 -5.340 26.706 9.900 1.00 4.42 O ATOM 879 ND2 ASN A 60 -3.636 27.807 10.860 1.00 4.29 N ATOM 0 H ASN A 60 -3.950 23.808 13.690 1.00 3.90 H new ATOM 0 HA ASN A 60 -4.927 26.579 13.253 1.00 3.86 H new ATOM 0 HB2 ASN A 60 -3.011 25.509 11.763 1.00 3.90 H new ATOM 0 HB3 ASN A 60 -4.333 24.623 11.030 1.00 3.90 H new ATOM 0 HD21 ASN A 60 -3.805 28.645 10.303 1.00 4.29 H new ATOM 0 HD22 ASN A 60 -2.874 27.791 11.538 1.00 4.29 H new ATOM 886 N GLY A 61 -6.338 23.661 12.851 1.00 3.52 N ATOM 887 CA GLY A 61 -7.608 22.956 12.723 1.00 3.44 C ATOM 888 C GLY A 61 -7.826 22.323 11.354 1.00 3.11 C ATOM 889 O GLY A 61 -8.853 21.674 11.136 1.00 3.10 O ATOM 0 H GLY A 61 -5.541 23.052 13.035 1.00 3.52 H new ATOM 0 HA2 GLY A 61 -7.659 22.178 13.485 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -8.421 23.653 12.924 1.00 3.44 H new ATOM 893 N THR A 62 -6.862 22.503 10.435 1.00 2.91 N ATOM 894 CA THR A 62 -6.939 21.923 9.089 1.00 2.61 C ATOM 895 C THR A 62 -5.549 21.577 8.540 1.00 2.41 C ATOM 896 O THR A 62 -4.537 21.760 9.221 1.00 2.55 O ATOM 897 CB THR A 62 -7.698 22.831 8.091 1.00 2.62 C ATOM 898 OG1 THR A 62 -7.323 24.201 8.275 1.00 2.84 O ATOM 899 CG2 THR A 62 -9.199 22.672 8.272 1.00 2.75 C ATOM 0 H THR A 62 -6.017 23.049 10.604 1.00 2.91 H new ATOM 0 HA THR A 62 -7.510 21.001 9.193 1.00 2.61 H new ATOM 0 HB THR A 62 -7.431 22.530 7.078 1.00 2.62 H new ATOM 0 HG1 THR A 62 -7.985 24.782 7.845 1.00 2.84 H new ATOM 0 HG21 THR A 62 -9.721 23.316 7.564 1.00 2.75 H new ATOM 0 HG22 THR A 62 -9.479 21.634 8.093 1.00 2.75 H new ATOM 0 HG23 THR A 62 -9.475 22.952 9.289 1.00 2.75 H new ATOM 907 N ILE A 63 -5.529 21.116 7.286 1.00 2.14 N ATOM 908 CA ILE A 63 -4.329 20.659 6.599 1.00 1.93 C ATOM 909 C ILE A 63 -3.826 21.643 5.585 1.00 1.95 C ATOM 910 O ILE A 63 -4.591 22.156 4.791 1.00 1.99 O ATOM 911 CB ILE A 63 -4.576 19.433 5.707 1.00 1.63 C ATOM 912 CG1 ILE A 63 -6.043 18.962 5.705 1.00 1.70 C ATOM 913 CG2 ILE A 63 -3.618 18.257 5.951 1.00 1.51 C ATOM 914 CD1 ILE A 63 -6.486 18.240 6.963 1.00 1.95 C ATOM 0 H ILE A 63 -6.369 21.051 6.711 1.00 2.14 H new ATOM 0 HA ILE A 63 -3.644 20.478 7.427 1.00 1.93 H new ATOM 0 HB ILE A 63 -4.349 19.803 4.707 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -6.687 19.829 5.556 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.195 18.301 4.852 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -3.868 17.438 5.277 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -2.593 18.578 5.767 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -3.712 17.919 6.983 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -7.532 17.948 6.866 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -5.873 17.350 7.107 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -6.372 18.902 7.822 1.00 1.95 H new ATOM 926 N ASP A 64 -2.529 21.795 5.547 1.00 2.01 N ATOM 927 CA ASP A 64 -1.876 22.639 4.575 1.00 2.12 C ATOM 928 C ASP A 64 -1.331 21.747 3.453 1.00 1.86 C ATOM 929 O ASP A 64 -1.123 20.549 3.666 1.00 1.62 O ATOM 930 CB ASP A 64 -0.768 23.515 5.181 1.00 2.46 C ATOM 931 CG ASP A 64 0.158 22.775 6.139 1.00 2.46 C ATOM 932 OD1 ASP A 64 -0.146 22.738 7.350 1.00 2.68 O ATOM 933 OD2 ASP A 64 1.184 22.235 5.674 1.00 2.74 O ATOM 0 H ASP A 64 -1.889 21.334 6.194 1.00 2.01 H new ATOM 0 HA ASP A 64 -2.610 23.341 4.180 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -0.173 23.939 4.373 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -1.228 24.350 5.710 1.00 2.46 H new ATOM 938 N PHE A 65 -1.090 22.322 2.274 1.00 1.97 N ATOM 939 CA PHE A 65 -0.638 21.541 1.113 1.00 1.80 C ATOM 940 C PHE A 65 0.856 21.092 1.163 1.00 1.83 C ATOM 941 O PHE A 65 1.122 19.910 0.941 1.00 1.60 O ATOM 942 CB PHE A 65 -0.898 22.329 -0.185 1.00 2.04 C ATOM 943 CG PHE A 65 -0.833 21.498 -1.449 1.00 1.95 C ATOM 944 CD1 PHE A 65 -1.774 20.515 -1.687 1.00 2.40 C ATOM 945 CD2 PHE A 65 0.155 21.709 -2.395 1.00 2.11 C ATOM 946 CE1 PHE A 65 -1.750 19.751 -2.830 1.00 2.45 C ATOM 947 CE2 PHE A 65 0.196 20.948 -3.549 1.00 2.08 C ATOM 948 CZ PHE A 65 -0.759 19.968 -3.765 1.00 1.96 C ATOM 0 H PHE A 65 -1.198 23.320 2.094 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.224 20.622 1.139 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -1.882 22.794 -0.122 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -0.168 23.135 -0.258 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -2.549 20.342 -0.956 1.00 2.40 H new ATOM 0 HD2 PHE A 65 0.900 22.474 -2.231 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -2.498 18.990 -2.994 1.00 2.45 H new ATOM 0 HE2 PHE A 65 0.972 21.118 -4.281 1.00 2.08 H new ATOM 0 HZ PHE A 65 -0.728 19.373 -4.666 1.00 1.96 H new ATOM 958 N PRO A 66 1.847 22.010 1.456 1.00 2.16 N ATOM 959 CA PRO A 66 3.310 21.708 1.454 1.00 2.30 C ATOM 960 C PRO A 66 3.759 20.315 1.962 1.00 2.09 C ATOM 961 O PRO A 66 4.414 19.583 1.216 1.00 2.04 O ATOM 962 CB PRO A 66 3.906 22.820 2.349 1.00 2.67 C ATOM 963 CG PRO A 66 2.753 23.659 2.805 1.00 2.78 C ATOM 964 CD PRO A 66 1.653 23.428 1.815 1.00 2.48 C ATOM 0 HA PRO A 66 3.656 21.683 0.421 1.00 2.30 H new ATOM 0 HB2 PRO A 66 4.435 22.392 3.200 1.00 2.67 H new ATOM 0 HB3 PRO A 66 4.627 23.420 1.794 1.00 2.67 H new ATOM 0 HG2 PRO A 66 2.439 23.376 3.810 1.00 2.78 H new ATOM 0 HG3 PRO A 66 3.029 24.713 2.842 1.00 2.78 H new ATOM 0 HD2 PRO A 66 0.670 23.607 2.250 1.00 2.48 H new ATOM 0 HD3 PRO A 66 1.742 24.083 0.948 1.00 2.48 H new ATOM 972 N GLU A 67 3.439 19.958 3.213 1.00 2.04 N ATOM 973 CA GLU A 67 3.859 18.668 3.778 1.00 1.95 C ATOM 974 C GLU A 67 2.872 17.537 3.569 1.00 1.60 C ATOM 975 O GLU A 67 3.190 16.363 3.783 1.00 1.59 O ATOM 976 CB GLU A 67 4.272 18.800 5.247 1.00 2.24 C ATOM 977 CG GLU A 67 5.599 19.517 5.449 1.00 2.61 C ATOM 978 CD GLU A 67 5.985 19.627 6.911 1.00 3.15 C ATOM 979 OE1 GLU A 67 5.621 20.638 7.548 1.00 3.47 O ATOM 980 OE2 GLU A 67 6.651 18.701 7.420 1.00 3.66 O ATOM 0 H GLU A 67 2.894 20.540 3.850 1.00 2.04 H new ATOM 0 HA GLU A 67 4.739 18.381 3.202 1.00 1.95 H new ATOM 0 HB2 GLU A 67 3.493 19.338 5.787 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.336 17.805 5.688 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.382 18.984 4.909 1.00 2.61 H new ATOM 0 HG3 GLU A 67 5.538 20.516 5.017 1.00 2.61 H new ATOM 987 N PHE A 68 1.687 17.905 3.165 1.00 1.40 N ATOM 988 CA PHE A 68 0.599 16.946 2.904 1.00 1.10 C ATOM 989 C PHE A 68 0.990 16.008 1.734 1.00 0.99 C ATOM 990 O PHE A 68 0.534 14.864 1.682 1.00 0.94 O ATOM 991 CB PHE A 68 -0.720 17.727 2.684 1.00 1.04 C ATOM 992 CG PHE A 68 -1.891 16.996 2.064 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.678 16.108 2.799 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.256 17.276 0.755 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.789 15.533 2.233 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.363 16.681 0.182 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.136 15.813 0.920 1.00 1.15 C ATOM 0 H PHE A 68 1.428 18.878 3.001 1.00 1.40 H new ATOM 0 HA PHE A 68 0.434 16.292 3.760 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -1.043 18.113 3.651 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.495 18.589 2.056 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -2.412 15.872 3.819 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.665 17.970 0.175 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.398 14.857 2.815 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.622 16.896 -0.844 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.008 15.353 0.479 1.00 1.15 H new ATOM 1007 N LEU A 69 1.843 16.511 0.807 1.00 1.15 N ATOM 1008 CA LEU A 69 2.356 15.702 -0.323 1.00 1.24 C ATOM 1009 C LEU A 69 3.552 14.854 0.100 1.00 1.42 C ATOM 1010 O LEU A 69 3.727 13.732 -0.379 1.00 1.53 O ATOM 1011 CB LEU A 69 2.794 16.538 -1.532 1.00 1.51 C ATOM 1012 CG LEU A 69 2.065 17.848 -1.772 1.00 1.59 C ATOM 1013 CD1 LEU A 69 2.928 18.988 -1.298 1.00 1.82 C ATOM 1014 CD2 LEU A 69 1.756 18.009 -3.242 1.00 1.76 C ATOM 0 H LEU A 69 2.188 17.471 0.821 1.00 1.15 H new ATOM 0 HA LEU A 69 1.512 15.077 -0.617 1.00 1.24 H new ATOM 0 HB2 LEU A 69 3.856 16.758 -1.424 1.00 1.51 H new ATOM 0 HB3 LEU A 69 2.685 15.923 -2.425 1.00 1.51 H new ATOM 0 HG LEU A 69 1.126 17.847 -1.218 1.00 1.59 H new ATOM 0 HD11 LEU A 69 2.410 19.932 -1.468 1.00 1.82 H new ATOM 0 HD12 LEU A 69 3.131 18.872 -0.233 1.00 1.82 H new ATOM 0 HD13 LEU A 69 3.868 18.986 -1.849 1.00 1.82 H new ATOM 0 HD21 LEU A 69 1.233 18.952 -3.403 1.00 1.76 H new ATOM 0 HD22 LEU A 69 2.685 18.008 -3.811 1.00 1.76 H new ATOM 0 HD23 LEU A 69 1.126 17.184 -3.574 1.00 1.76 H new ATOM 1026 N THR A 70 4.391 15.415 0.987 1.00 1.58 N ATOM 1027 CA THR A 70 5.598 14.716 1.473 1.00 1.88 C ATOM 1028 C THR A 70 5.224 13.449 2.240 1.00 1.87 C ATOM 1029 O THR A 70 5.916 12.431 2.156 1.00 2.04 O ATOM 1030 CB THR A 70 6.485 15.613 2.366 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.701 16.234 3.388 1.00 2.14 O ATOM 1032 CG2 THR A 70 7.193 16.681 1.542 1.00 2.80 C ATOM 0 H THR A 70 4.259 16.346 1.382 1.00 1.58 H new ATOM 0 HA THR A 70 6.174 14.451 0.586 1.00 1.88 H new ATOM 0 HB THR A 70 7.239 14.977 2.829 1.00 2.19 H new ATOM 0 HG1 THR A 70 4.778 15.908 3.336 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.810 17.297 2.197 1.00 2.80 H new ATOM 0 HG22 THR A 70 7.824 16.203 0.793 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.452 17.308 1.046 1.00 2.80 H new ATOM 1040 N MET A 71 4.118 13.538 2.986 1.00 1.77 N ATOM 1041 CA MET A 71 3.586 12.410 3.753 1.00 1.91 C ATOM 1042 C MET A 71 2.745 11.480 2.852 1.00 1.83 C ATOM 1043 O MET A 71 2.555 10.306 3.169 1.00 2.06 O ATOM 1044 CB MET A 71 2.777 12.908 4.972 1.00 2.01 C ATOM 1045 CG MET A 71 1.634 13.869 4.647 1.00 2.31 C ATOM 1046 SD MET A 71 0.142 13.006 4.141 1.00 2.07 S ATOM 1047 CE MET A 71 -0.754 12.936 5.691 1.00 1.57 C ATOM 0 H MET A 71 3.568 14.393 3.074 1.00 1.77 H new ATOM 0 HA MET A 71 4.425 11.826 4.132 1.00 1.91 H new ATOM 0 HB2 MET A 71 2.366 12.043 5.493 1.00 2.01 H new ATOM 0 HB3 MET A 71 3.460 13.402 5.664 1.00 2.01 H new ATOM 0 HG2 MET A 71 1.418 14.482 5.522 1.00 2.31 H new ATOM 0 HG3 MET A 71 1.947 14.547 3.852 1.00 2.31 H new ATOM 0 HE1 MET A 71 -1.553 12.198 5.617 1.00 1.57 H new ATOM 0 HE2 MET A 71 -0.072 12.653 6.493 1.00 1.57 H new ATOM 0 HE3 MET A 71 -1.183 13.914 5.908 1.00 1.57 H new ATOM 1057 N MET A 72 2.251 12.035 1.721 1.00 1.61 N ATOM 1058 CA MET A 72 1.428 11.301 0.734 1.00 1.69 C ATOM 1059 C MET A 72 2.034 9.947 0.331 1.00 1.97 C ATOM 1060 O MET A 72 1.300 8.974 0.132 1.00 2.17 O ATOM 1061 CB MET A 72 1.228 12.167 -0.514 1.00 1.60 C ATOM 1062 CG MET A 72 -0.093 12.917 -0.536 1.00 1.46 C ATOM 1063 SD MET A 72 -1.503 11.842 -0.841 1.00 1.69 S ATOM 1064 CE MET A 72 -2.774 13.065 -1.142 1.00 1.53 C ATOM 0 H MET A 72 2.413 13.009 1.467 1.00 1.61 H new ATOM 0 HA MET A 72 0.471 11.091 1.212 1.00 1.69 H new ATOM 0 HB2 MET A 72 2.044 12.886 -0.580 1.00 1.60 H new ATOM 0 HB3 MET A 72 1.290 11.533 -1.398 1.00 1.60 H new ATOM 0 HG2 MET A 72 -0.231 13.428 0.417 1.00 1.46 H new ATOM 0 HG3 MET A 72 -0.055 13.686 -1.307 1.00 1.46 H new ATOM 0 HE1 MET A 72 -3.347 12.784 -2.026 1.00 1.53 H new ATOM 0 HE2 MET A 72 -3.439 13.118 -0.280 1.00 1.53 H new ATOM 0 HE3 MET A 72 -2.311 14.038 -1.304 1.00 1.53 H new ATOM 1074 N ALA A 73 3.372 9.894 0.216 1.00 2.06 N ATOM 1075 CA ALA A 73 4.083 8.665 -0.147 1.00 2.36 C ATOM 1076 C ALA A 73 4.160 7.690 1.022 1.00 2.55 C ATOM 1077 O ALA A 73 4.257 6.477 0.814 1.00 2.80 O ATOM 1078 CB ALA A 73 5.472 8.982 -0.679 1.00 2.47 C ATOM 0 H ALA A 73 3.983 10.696 0.371 1.00 2.06 H new ATOM 0 HA ALA A 73 3.513 8.180 -0.939 1.00 2.36 H new ATOM 0 HB1 ALA A 73 5.981 8.055 -0.942 1.00 2.47 H new ATOM 0 HB2 ALA A 73 5.387 9.613 -1.564 1.00 2.47 H new ATOM 0 HB3 ALA A 73 6.044 9.506 0.087 1.00 2.47 H new ATOM 1084 N ARG A 74 4.119 8.227 2.253 1.00 2.49 N ATOM 1085 CA ARG A 74 4.117 7.401 3.468 1.00 2.74 C ATOM 1086 C ARG A 74 2.870 6.523 3.483 1.00 2.80 C ATOM 1087 O ARG A 74 2.855 5.438 4.071 1.00 3.08 O ATOM 1088 CB ARG A 74 4.152 8.275 4.731 1.00 2.75 C ATOM 1089 CG ARG A 74 5.321 9.263 4.803 1.00 2.90 C ATOM 1090 CD ARG A 74 6.659 8.563 4.998 1.00 2.93 C ATOM 1091 NE ARG A 74 7.754 9.515 5.216 1.00 3.02 N ATOM 1092 CZ ARG A 74 9.020 9.173 5.494 1.00 3.34 C ATOM 1093 NH1 ARG A 74 9.382 7.895 5.595 1.00 3.84 N ATOM 1094 NH2 ARG A 74 9.930 10.120 5.672 1.00 3.53 N ATOM 0 H ARG A 74 4.087 9.231 2.431 1.00 2.49 H new ATOM 0 HA ARG A 74 5.010 6.776 3.462 1.00 2.74 H new ATOM 0 HB2 ARG A 74 3.219 8.835 4.793 1.00 2.75 H new ATOM 0 HB3 ARG A 74 4.192 7.624 5.604 1.00 2.75 H new ATOM 0 HG2 ARG A 74 5.352 9.853 3.887 1.00 2.90 H new ATOM 0 HG3 ARG A 74 5.155 9.960 5.625 1.00 2.90 H new ATOM 0 HD2 ARG A 74 6.593 7.886 5.850 1.00 2.93 H new ATOM 0 HD3 ARG A 74 6.879 7.952 4.122 1.00 2.93 H new ATOM 0 HE ARG A 74 7.536 10.509 5.151 1.00 3.02 H new ATOM 0 HH11 ARG A 74 8.691 7.157 5.460 1.00 3.84 H new ATOM 0 HH12 ARG A 74 10.350 7.654 5.807 1.00 3.84 H new ATOM 0 HH21 ARG A 74 9.665 11.102 5.597 1.00 3.53 H new ATOM 0 HH22 ARG A 74 10.895 9.867 5.884 1.00 3.53 H new ATOM 1108 N LYS A 75 1.829 7.033 2.812 1.00 2.57 N ATOM 1109 CA LYS A 75 0.559 6.337 2.661 1.00 2.67 C ATOM 1110 C LYS A 75 0.656 5.235 1.630 1.00 2.87 C ATOM 1111 O LYS A 75 -0.094 4.257 1.694 1.00 3.11 O ATOM 1112 CB LYS A 75 -0.578 7.297 2.289 1.00 2.45 C ATOM 1113 CG LYS A 75 -1.179 8.056 3.466 1.00 2.47 C ATOM 1114 CD LYS A 75 -0.341 9.266 3.853 1.00 2.50 C ATOM 1115 CE LYS A 75 0.315 9.070 5.203 1.00 2.43 C ATOM 1116 NZ LYS A 75 1.319 10.125 5.506 1.00 3.05 N ATOM 0 H LYS A 75 1.852 7.946 2.358 1.00 2.57 H new ATOM 0 HA LYS A 75 0.329 5.894 3.630 1.00 2.67 H new ATOM 0 HB2 LYS A 75 -0.204 8.018 1.562 1.00 2.45 H new ATOM 0 HB3 LYS A 75 -1.369 6.730 1.798 1.00 2.45 H new ATOM 0 HG2 LYS A 75 -2.188 8.381 3.211 1.00 2.47 H new ATOM 0 HG3 LYS A 75 -1.266 7.387 4.322 1.00 2.47 H new ATOM 0 HD2 LYS A 75 0.424 9.439 3.096 1.00 2.50 H new ATOM 0 HD3 LYS A 75 -0.971 10.155 3.878 1.00 2.50 H new ATOM 0 HE2 LYS A 75 -0.451 9.068 5.979 1.00 2.43 H new ATOM 0 HE3 LYS A 75 0.799 8.094 5.230 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 1.764 9.927 6.425 1.00 3.05 H new ATOM 0 HZ2 LYS A 75 2.047 10.134 4.764 1.00 3.05 H new ATOM 0 HZ3 LYS A 75 0.849 11.052 5.541 1.00 3.05 H new ATOM 1130 N MET A 76 1.575 5.395 0.670 1.00 2.81 N ATOM 1131 CA MET A 76 1.787 4.360 -0.325 1.00 3.04 C ATOM 1132 C MET A 76 2.760 3.329 0.197 1.00 3.27 C ATOM 1133 O MET A 76 3.177 2.391 -0.490 1.00 3.48 O ATOM 1134 CB MET A 76 2.188 4.923 -1.693 1.00 2.98 C ATOM 1135 CG MET A 76 1.009 5.139 -2.631 1.00 3.01 C ATOM 1136 SD MET A 76 -0.135 6.405 -2.044 1.00 2.99 S ATOM 1137 CE MET A 76 0.647 7.892 -2.667 1.00 2.50 C ATOM 0 H MET A 76 2.169 6.218 0.569 1.00 2.81 H new ATOM 0 HA MET A 76 0.834 3.861 -0.499 1.00 3.04 H new ATOM 0 HB2 MET A 76 2.706 5.871 -1.549 1.00 2.98 H new ATOM 0 HB3 MET A 76 2.896 4.241 -2.164 1.00 2.98 H new ATOM 0 HG2 MET A 76 1.382 5.422 -3.615 1.00 3.01 H new ATOM 0 HG3 MET A 76 0.471 4.199 -2.752 1.00 3.01 H new ATOM 0 HE1 MET A 76 0.148 8.767 -2.251 1.00 2.50 H new ATOM 0 HE2 MET A 76 1.697 7.901 -2.375 1.00 2.50 H new ATOM 0 HE3 MET A 76 0.573 7.914 -3.754 1.00 2.50 H new ATOM 1147 N LYS A 77 3.081 3.560 1.442 1.00 3.25 N ATOM 1148 CA LYS A 77 3.896 2.691 2.245 1.00 3.50 C ATOM 1149 C LYS A 77 2.942 2.058 3.239 1.00 3.65 C ATOM 1150 O LYS A 77 3.311 1.161 4.004 1.00 3.90 O ATOM 1151 CB LYS A 77 5.023 3.452 2.955 1.00 3.48 C ATOM 1152 CG LYS A 77 6.147 3.891 2.027 1.00 3.51 C ATOM 1153 CD LYS A 77 7.278 4.559 2.797 1.00 3.56 C ATOM 1154 CE LYS A 77 8.402 5.009 1.873 1.00 3.75 C ATOM 1155 NZ LYS A 77 9.207 3.862 1.363 1.00 4.00 N ATOM 0 H LYS A 77 2.769 4.392 1.943 1.00 3.25 H new ATOM 0 HA LYS A 77 4.401 1.944 1.633 1.00 3.50 H new ATOM 0 HB2 LYS A 77 4.603 4.331 3.444 1.00 3.48 H new ATOM 0 HB3 LYS A 77 5.438 2.819 3.739 1.00 3.48 H new ATOM 0 HG2 LYS A 77 6.534 3.026 1.488 1.00 3.51 H new ATOM 0 HG3 LYS A 77 5.755 4.583 1.281 1.00 3.51 H new ATOM 0 HD2 LYS A 77 6.889 5.419 3.342 1.00 3.56 H new ATOM 0 HD3 LYS A 77 7.673 3.864 3.538 1.00 3.56 H new ATOM 0 HE2 LYS A 77 7.980 5.557 1.031 1.00 3.75 H new ATOM 0 HE3 LYS A 77 9.055 5.699 2.407 1.00 3.75 H new ATOM 0 HZ1 LYS A 77 9.960 4.216 0.739 1.00 4.00 H new ATOM 0 HZ2 LYS A 77 9.632 3.353 2.164 1.00 4.00 H new ATOM 0 HZ3 LYS A 77 8.591 3.215 0.830 1.00 4.00 H new ATOM 1169 N ASP A 78 1.681 2.559 3.201 1.00 3.51 N ATOM 1170 CA ASP A 78 0.616 2.026 4.043 1.00 3.68 C ATOM 1171 C ASP A 78 -0.150 0.965 3.260 1.00 3.85 C ATOM 1172 O ASP A 78 -0.708 0.032 3.846 1.00 4.10 O ATOM 1173 CB ASP A 78 -0.333 3.132 4.510 1.00 3.50 C ATOM 1174 CG ASP A 78 0.252 3.957 5.640 1.00 3.68 C ATOM 1175 OD1 ASP A 78 0.360 3.427 6.766 1.00 4.02 O ATOM 1176 OD2 ASP A 78 0.597 5.133 5.403 1.00 3.89 O ATOM 0 H ASP A 78 1.393 3.327 2.595 1.00 3.51 H new ATOM 0 HA ASP A 78 1.061 1.581 4.933 1.00 3.68 H new ATOM 0 HB2 ASP A 78 -0.566 3.786 3.670 1.00 3.50 H new ATOM 0 HB3 ASP A 78 -1.272 2.687 4.838 1.00 3.50 H new ATOM 1181 N THR A 79 -0.167 1.124 1.924 1.00 3.74 N ATOM 1182 CA THR A 79 -0.831 0.181 1.043 1.00 3.93 C ATOM 1183 C THR A 79 0.168 -0.570 0.156 1.00 3.95 C ATOM 1184 O THR A 79 -0.185 -1.078 -0.917 1.00 4.03 O ATOM 1185 CB THR A 79 -1.912 0.870 0.175 1.00 3.88 C ATOM 1186 OG1 THR A 79 -1.325 1.920 -0.606 1.00 3.58 O ATOM 1187 CG2 THR A 79 -3.025 1.445 1.040 1.00 3.95 C ATOM 0 H THR A 79 0.278 1.905 1.441 1.00 3.74 H new ATOM 0 HA THR A 79 -1.326 -0.548 1.685 1.00 3.93 H new ATOM 0 HB THR A 79 -2.339 0.117 -0.487 1.00 3.88 H new ATOM 0 HG1 THR A 79 -2.017 2.348 -1.152 1.00 3.58 H new ATOM 0 HG21 THR A 79 -3.770 1.923 0.404 1.00 3.95 H new ATOM 0 HG22 THR A 79 -3.495 0.643 1.609 1.00 3.95 H new ATOM 0 HG23 THR A 79 -2.608 2.182 1.727 1.00 3.95 H new ATOM 1195 N ASP A 80 1.410 -0.652 0.633 1.00 3.93 N ATOM 1196 CA ASP A 80 2.478 -1.352 -0.085 1.00 3.99 C ATOM 1197 C ASP A 80 2.667 -2.765 0.485 1.00 3.80 C ATOM 1198 O ASP A 80 3.328 -2.958 1.513 1.00 4.18 O ATOM 1199 CB ASP A 80 3.786 -0.550 -0.017 1.00 4.25 C ATOM 1200 CG ASP A 80 4.727 -0.863 -1.168 1.00 4.80 C ATOM 1201 OD1 ASP A 80 4.878 -0.004 -2.062 1.00 5.12 O ATOM 1202 OD2 ASP A 80 5.309 -1.968 -1.175 1.00 5.24 O ATOM 0 H ASP A 80 1.704 -0.240 1.519 1.00 3.93 H new ATOM 0 HA ASP A 80 2.194 -1.444 -1.133 1.00 3.99 H new ATOM 0 HB2 ASP A 80 3.555 0.515 -0.022 1.00 4.25 H new ATOM 0 HB3 ASP A 80 4.289 -0.763 0.926 1.00 4.25 H new ATOM 1207 N SER A 81 2.053 -3.744 -0.191 1.00 3.49 N ATOM 1208 CA SER A 81 2.119 -5.148 0.207 1.00 3.36 C ATOM 1209 C SER A 81 3.375 -5.855 -0.310 1.00 2.88 C ATOM 1210 O SER A 81 3.765 -6.901 0.216 1.00 2.79 O ATOM 1211 CB SER A 81 0.872 -5.892 -0.273 1.00 3.71 C ATOM 1212 OG SER A 81 -0.304 -5.329 0.283 1.00 4.35 O ATOM 0 H SER A 81 1.497 -3.580 -1.030 1.00 3.49 H new ATOM 0 HA SER A 81 2.166 -5.163 1.296 1.00 3.36 H new ATOM 0 HB2 SER A 81 0.818 -5.853 -1.361 1.00 3.71 H new ATOM 0 HB3 SER A 81 0.942 -6.943 0.006 1.00 3.71 H new ATOM 0 HG SER A 81 -1.087 -5.821 -0.041 1.00 4.35 H new ATOM 1218 N GLU A 82 3.997 -5.272 -1.341 1.00 2.97 N ATOM 1219 CA GLU A 82 5.206 -5.841 -1.970 1.00 3.25 C ATOM 1220 C GLU A 82 6.452 -5.667 -1.109 1.00 3.85 C ATOM 1221 O GLU A 82 7.380 -6.477 -1.169 1.00 4.27 O ATOM 1222 CB GLU A 82 5.442 -5.209 -3.343 1.00 3.94 C ATOM 1223 CG GLU A 82 4.404 -5.585 -4.391 1.00 4.12 C ATOM 1224 CD GLU A 82 4.602 -4.846 -5.700 1.00 4.93 C ATOM 1225 OE1 GLU A 82 5.309 -5.378 -6.581 1.00 5.51 O ATOM 1226 OE2 GLU A 82 4.050 -3.735 -5.843 1.00 5.25 O ATOM 0 H GLU A 82 3.683 -4.399 -1.764 1.00 2.97 H new ATOM 0 HA GLU A 82 5.027 -6.911 -2.079 1.00 3.25 H new ATOM 0 HB2 GLU A 82 5.455 -4.125 -3.234 1.00 3.94 H new ATOM 0 HB3 GLU A 82 6.428 -5.505 -3.702 1.00 3.94 H new ATOM 0 HG2 GLU A 82 4.450 -6.659 -4.574 1.00 4.12 H new ATOM 0 HG3 GLU A 82 3.408 -5.370 -4.004 1.00 4.12 H new ATOM 1233 N GLU A 83 6.467 -4.592 -0.338 1.00 4.18 N ATOM 1234 CA GLU A 83 7.574 -4.300 0.580 1.00 5.12 C ATOM 1235 C GLU A 83 7.400 -5.089 1.881 1.00 5.33 C ATOM 1236 O GLU A 83 8.366 -5.334 2.609 1.00 6.21 O ATOM 1237 CB GLU A 83 7.649 -2.800 0.882 1.00 5.53 C ATOM 1238 CG GLU A 83 8.234 -1.973 -0.254 1.00 5.74 C ATOM 1239 CD GLU A 83 8.325 -0.498 0.085 1.00 6.48 C ATOM 1240 OE1 GLU A 83 9.366 -0.078 0.631 1.00 6.88 O ATOM 1241 OE2 GLU A 83 7.354 0.236 -0.195 1.00 6.89 O ATOM 0 H GLU A 83 5.721 -3.897 -0.325 1.00 4.18 H new ATOM 0 HA GLU A 83 8.506 -4.601 0.101 1.00 5.12 H new ATOM 0 HB2 GLU A 83 6.647 -2.434 1.107 1.00 5.53 H new ATOM 0 HB3 GLU A 83 8.252 -2.649 1.777 1.00 5.53 H new ATOM 0 HG2 GLU A 83 9.228 -2.348 -0.497 1.00 5.74 H new ATOM 0 HG3 GLU A 83 7.619 -2.100 -1.145 1.00 5.74 H new ATOM 1248 N GLU A 84 6.145 -5.478 2.148 1.00 4.72 N ATOM 1249 CA GLU A 84 5.777 -6.242 3.341 1.00 5.16 C ATOM 1250 C GLU A 84 5.982 -7.756 3.162 1.00 4.87 C ATOM 1251 O GLU A 84 6.303 -8.451 4.130 1.00 5.53 O ATOM 1252 CB GLU A 84 4.321 -5.956 3.717 1.00 5.11 C ATOM 1253 CG GLU A 84 4.092 -4.563 4.288 1.00 5.77 C ATOM 1254 CD GLU A 84 2.641 -4.313 4.650 1.00 6.38 C ATOM 1255 OE1 GLU A 84 1.885 -3.836 3.777 1.00 6.86 O ATOM 1256 OE2 GLU A 84 2.260 -4.593 5.806 1.00 6.68 O ATOM 0 H GLU A 84 5.355 -5.269 1.537 1.00 4.72 H new ATOM 0 HA GLU A 84 6.440 -5.920 4.144 1.00 5.16 H new ATOM 0 HB2 GLU A 84 3.696 -6.082 2.833 1.00 5.11 H new ATOM 0 HB3 GLU A 84 3.993 -6.696 4.447 1.00 5.11 H new ATOM 0 HG2 GLU A 84 4.712 -4.431 5.175 1.00 5.77 H new ATOM 0 HG3 GLU A 84 4.415 -3.818 3.560 1.00 5.77 H new ATOM 1263 N ILE A 85 5.794 -8.268 1.923 1.00 3.98 N ATOM 1264 CA ILE A 85 5.950 -9.711 1.628 1.00 3.69 C ATOM 1265 C ILE A 85 7.338 -10.227 1.927 1.00 4.63 C ATOM 1266 O ILE A 85 7.494 -11.221 2.637 1.00 5.03 O ATOM 1267 CB ILE A 85 5.511 -10.085 0.190 1.00 2.77 C ATOM 1268 CG1 ILE A 85 6.016 -9.092 -0.868 1.00 3.16 C ATOM 1269 CG2 ILE A 85 3.996 -10.166 0.149 1.00 1.99 C ATOM 1270 CD1 ILE A 85 7.268 -9.542 -1.590 1.00 3.97 C ATOM 0 H ILE A 85 5.535 -7.704 1.114 1.00 3.98 H new ATOM 0 HA ILE A 85 5.267 -10.215 2.312 1.00 3.69 H new ATOM 0 HB ILE A 85 5.957 -11.049 -0.055 1.00 2.77 H new ATOM 0 HG12 ILE A 85 5.227 -8.926 -1.601 1.00 3.16 H new ATOM 0 HG13 ILE A 85 6.211 -8.133 -0.387 1.00 3.16 H new ATOM 0 HG21 ILE A 85 3.673 -10.429 -0.858 1.00 1.99 H new ATOM 0 HG22 ILE A 85 3.653 -10.927 0.850 1.00 1.99 H new ATOM 0 HG23 ILE A 85 3.572 -9.201 0.426 1.00 1.99 H new ATOM 0 HD11 ILE A 85 7.559 -8.786 -2.320 1.00 3.97 H new ATOM 0 HD12 ILE A 85 8.074 -9.680 -0.869 1.00 3.97 H new ATOM 0 HD13 ILE A 85 7.074 -10.485 -2.102 1.00 3.97 H new ATOM 1282 N ARG A 86 8.339 -9.526 1.428 1.00 5.19 N ATOM 1283 CA ARG A 86 9.741 -9.880 1.689 1.00 6.32 C ATOM 1284 C ARG A 86 10.013 -9.898 3.183 1.00 7.11 C ATOM 1285 O ARG A 86 10.956 -10.543 3.653 1.00 7.98 O ATOM 1286 CB ARG A 86 10.678 -8.841 1.109 1.00 6.99 C ATOM 1287 CG ARG A 86 11.720 -9.411 0.162 1.00 7.36 C ATOM 1288 CD ARG A 86 12.641 -8.326 -0.374 1.00 8.25 C ATOM 1289 NE ARG A 86 13.652 -8.866 -1.289 1.00 8.76 N ATOM 1290 CZ ARG A 86 14.643 -8.151 -1.842 1.00 9.65 C ATOM 1291 NH1 ARG A 86 14.779 -6.850 -1.587 1.00 10.08 N ATOM 1292 NH2 ARG A 86 15.503 -8.745 -2.657 1.00 10.26 N ATOM 0 H ARG A 86 8.217 -8.704 0.837 1.00 5.19 H new ATOM 0 HA ARG A 86 9.908 -10.858 1.237 1.00 6.32 H new ATOM 0 HB2 ARG A 86 10.090 -8.092 0.578 1.00 6.99 H new ATOM 0 HB3 ARG A 86 11.186 -8.328 1.926 1.00 6.99 H new ATOM 0 HG2 ARG A 86 12.310 -10.166 0.681 1.00 7.36 H new ATOM 0 HG3 ARG A 86 11.223 -9.911 -0.669 1.00 7.36 H new ATOM 0 HD2 ARG A 86 12.049 -7.571 -0.892 1.00 8.25 H new ATOM 0 HD3 ARG A 86 13.136 -7.826 0.459 1.00 8.25 H new ATOM 0 HE ARG A 86 13.598 -9.858 -1.522 1.00 8.76 H new ATOM 0 HH11 ARG A 86 14.123 -6.382 -0.962 1.00 10.08 H new ATOM 0 HH12 ARG A 86 15.539 -6.323 -2.017 1.00 10.08 H new ATOM 0 HH21 ARG A 86 15.409 -9.740 -2.860 1.00 10.26 H new ATOM 0 HH22 ARG A 86 16.259 -8.207 -3.081 1.00 10.26 H new ATOM 1306 N GLU A 87 9.158 -9.176 3.915 1.00 6.95 N ATOM 1307 CA GLU A 87 9.314 -9.033 5.349 1.00 7.91 C ATOM 1308 C GLU A 87 8.667 -10.183 6.126 1.00 7.97 C ATOM 1309 O GLU A 87 9.153 -10.584 7.187 1.00 8.94 O ATOM 1310 CB GLU A 87 8.750 -7.692 5.828 1.00 8.02 C ATOM 1311 CG GLU A 87 9.614 -6.494 5.461 1.00 8.75 C ATOM 1312 CD GLU A 87 9.032 -5.183 5.953 1.00 9.11 C ATOM 1313 OE1 GLU A 87 9.354 -4.780 7.090 1.00 9.62 O ATOM 1314 OE2 GLU A 87 8.254 -4.559 5.200 1.00 9.05 O ATOM 0 H GLU A 87 8.352 -8.684 3.528 1.00 6.95 H new ATOM 0 HA GLU A 87 10.385 -9.064 5.551 1.00 7.91 H new ATOM 0 HB2 GLU A 87 7.756 -7.554 5.403 1.00 8.02 H new ATOM 0 HB3 GLU A 87 8.632 -7.724 6.911 1.00 8.02 H new ATOM 0 HG2 GLU A 87 10.610 -6.626 5.883 1.00 8.75 H new ATOM 0 HG3 GLU A 87 9.730 -6.452 4.378 1.00 8.75 H new ATOM 1321 N ALA A 88 7.568 -10.695 5.569 1.00 7.00 N ATOM 1322 CA ALA A 88 6.787 -11.779 6.180 1.00 7.06 C ATOM 1323 C ALA A 88 7.357 -13.157 5.873 1.00 7.01 C ATOM 1324 O ALA A 88 7.499 -13.982 6.761 1.00 7.73 O ATOM 1325 CB ALA A 88 5.358 -11.719 5.708 1.00 6.21 C ATOM 0 H ALA A 88 7.191 -10.370 4.679 1.00 7.00 H new ATOM 0 HA ALA A 88 6.837 -11.631 7.259 1.00 7.06 H new ATOM 0 HB1 ALA A 88 4.789 -12.527 6.167 1.00 6.21 H new ATOM 0 HB2 ALA A 88 4.921 -10.761 5.991 1.00 6.21 H new ATOM 0 HB3 ALA A 88 5.328 -11.825 4.624 1.00 6.21 H new ATOM 1331 N PHE A 89 7.601 -13.425 4.594 1.00 6.21 N ATOM 1332 CA PHE A 89 8.197 -14.689 4.129 1.00 6.21 C ATOM 1333 C PHE A 89 9.409 -15.160 4.954 1.00 7.49 C ATOM 1334 O PHE A 89 9.795 -16.326 4.876 1.00 7.70 O ATOM 1335 CB PHE A 89 8.529 -14.552 2.653 1.00 5.56 C ATOM 1336 CG PHE A 89 7.291 -14.631 1.828 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.449 -13.531 1.683 1.00 3.84 C ATOM 1338 CD2 PHE A 89 6.943 -15.820 1.232 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.301 -13.628 0.961 1.00 2.77 C ATOM 1340 CE2 PHE A 89 5.796 -15.923 0.508 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.972 -14.835 0.370 1.00 1.93 C ATOM 0 H PHE A 89 7.392 -12.771 3.840 1.00 6.21 H new ATOM 0 HA PHE A 89 7.459 -15.478 4.277 1.00 6.21 H new ATOM 0 HB2 PHE A 89 9.032 -13.601 2.474 1.00 5.56 H new ATOM 0 HB3 PHE A 89 9.222 -15.339 2.356 1.00 5.56 H new ATOM 0 HD1 PHE A 89 6.710 -12.592 2.148 1.00 3.84 H new ATOM 0 HD2 PHE A 89 7.587 -16.681 1.340 1.00 3.79 H new ATOM 0 HE1 PHE A 89 4.652 -12.772 0.850 1.00 2.77 H new ATOM 0 HE2 PHE A 89 5.534 -16.861 0.042 1.00 2.72 H new ATOM 0 HZ PHE A 89 4.061 -14.921 -0.203 1.00 1.93 H new ATOM 1351 N ARG A 90 10.009 -14.248 5.729 1.00 8.36 N ATOM 1352 CA ARG A 90 11.132 -14.589 6.606 1.00 9.63 C ATOM 1353 C ARG A 90 10.618 -15.289 7.885 1.00 10.20 C ATOM 1354 O ARG A 90 11.409 -15.834 8.660 1.00 11.20 O ATOM 1355 CB ARG A 90 11.922 -13.322 6.971 1.00 10.38 C ATOM 1356 CG ARG A 90 13.406 -13.563 7.256 1.00 10.73 C ATOM 1357 CD ARG A 90 14.247 -13.560 5.982 1.00 11.51 C ATOM 1358 NE ARG A 90 14.406 -12.210 5.422 1.00 12.01 N ATOM 1359 CZ ARG A 90 14.981 -11.936 4.243 1.00 12.77 C ATOM 1360 NH1 ARG A 90 15.466 -12.906 3.469 1.00 13.10 N ATOM 1361 NH2 ARG A 90 15.071 -10.677 3.836 1.00 13.29 N ATOM 0 H ARG A 90 9.733 -13.267 5.765 1.00 8.36 H new ATOM 0 HA ARG A 90 11.795 -15.274 6.078 1.00 9.63 H new ATOM 0 HB2 ARG A 90 11.833 -12.605 6.155 1.00 10.38 H new ATOM 0 HB3 ARG A 90 11.466 -12.864 7.849 1.00 10.38 H new ATOM 0 HG2 ARG A 90 13.774 -12.792 7.934 1.00 10.73 H new ATOM 0 HG3 ARG A 90 13.526 -14.519 7.766 1.00 10.73 H new ATOM 0 HD2 ARG A 90 15.230 -13.980 6.197 1.00 11.51 H new ATOM 0 HD3 ARG A 90 13.780 -14.206 5.239 1.00 11.51 H new ATOM 0 HE ARG A 90 14.053 -11.426 5.970 1.00 12.01 H new ATOM 0 HH11 ARG A 90 15.403 -13.878 3.770 1.00 13.10 H new ATOM 0 HH12 ARG A 90 15.900 -12.676 2.575 1.00 13.10 H new ATOM 0 HH21 ARG A 90 14.704 -9.925 4.419 1.00 13.29 H new ATOM 0 HH22 ARG A 90 15.507 -10.461 2.940 1.00 13.29 H new ATOM 1375 N VAL A 91 9.284 -15.259 8.085 1.00 9.66 N ATOM 1376 CA VAL A 91 8.632 -15.868 9.222 1.00 10.29 C ATOM 1377 C VAL A 91 8.021 -17.221 8.866 1.00 9.81 C ATOM 1378 O VAL A 91 7.902 -18.099 9.725 1.00 10.52 O ATOM 1379 CB VAL A 91 7.482 -15.006 9.775 1.00 10.33 C ATOM 1380 CG1 VAL A 91 7.463 -15.018 11.298 1.00 11.64 C ATOM 1381 CG2 VAL A 91 7.493 -13.581 9.248 1.00 9.85 C ATOM 0 H VAL A 91 8.637 -14.801 7.443 1.00 9.66 H new ATOM 0 HA VAL A 91 9.419 -15.975 9.969 1.00 10.29 H new ATOM 0 HB VAL A 91 6.563 -15.465 9.411 1.00 10.33 H new ATOM 0 HG11 VAL A 91 6.640 -14.400 11.656 1.00 11.64 H new ATOM 0 HG12 VAL A 91 7.330 -16.040 11.652 1.00 11.64 H new ATOM 0 HG13 VAL A 91 8.405 -14.622 11.677 1.00 11.64 H new ATOM 0 HG21 VAL A 91 6.657 -13.028 9.677 1.00 9.85 H new ATOM 0 HG22 VAL A 91 8.429 -13.097 9.527 1.00 9.85 H new ATOM 0 HG23 VAL A 91 7.401 -13.594 8.162 1.00 9.85 H new ATOM 1391 N PHE A 92 7.634 -17.370 7.597 1.00 8.63 N ATOM 1392 CA PHE A 92 6.969 -18.595 7.128 1.00 8.08 C ATOM 1393 C PHE A 92 7.773 -19.376 6.085 1.00 7.58 C ATOM 1394 O PHE A 92 7.647 -20.602 6.006 1.00 7.57 O ATOM 1395 CB PHE A 92 5.625 -18.243 6.481 1.00 7.14 C ATOM 1396 CG PHE A 92 4.763 -17.264 7.237 1.00 7.60 C ATOM 1397 CD1 PHE A 92 4.926 -15.892 7.069 1.00 7.95 C ATOM 1398 CD2 PHE A 92 3.744 -17.718 8.057 1.00 7.88 C ATOM 1399 CE1 PHE A 92 4.092 -15.003 7.707 1.00 8.45 C ATOM 1400 CE2 PHE A 92 2.914 -16.828 8.709 1.00 8.39 C ATOM 1401 CZ PHE A 92 3.086 -15.468 8.532 1.00 8.62 C ATOM 0 H PHE A 92 7.768 -16.662 6.875 1.00 8.63 H new ATOM 0 HA PHE A 92 6.856 -19.219 8.014 1.00 8.08 H new ATOM 0 HB2 PHE A 92 5.818 -17.836 5.489 1.00 7.14 H new ATOM 0 HB3 PHE A 92 5.059 -19.164 6.343 1.00 7.14 H new ATOM 0 HD1 PHE A 92 5.715 -15.522 6.431 1.00 7.95 H new ATOM 0 HD2 PHE A 92 3.597 -18.780 8.188 1.00 7.88 H new ATOM 0 HE1 PHE A 92 4.224 -13.941 7.563 1.00 8.45 H new ATOM 0 HE2 PHE A 92 2.131 -17.194 9.357 1.00 8.39 H new ATOM 0 HZ PHE A 92 2.435 -14.770 9.038 1.00 8.62 H new ATOM 1411 N ALA A 93 8.590 -18.678 5.295 1.00 7.32 N ATOM 1412 CA ALA A 93 9.380 -19.325 4.247 1.00 7.11 C ATOM 1413 C ALA A 93 10.838 -19.539 4.690 1.00 8.33 C ATOM 1414 O ALA A 93 11.765 -18.902 4.173 1.00 8.83 O ATOM 1415 CB ALA A 93 9.271 -18.532 2.933 1.00 6.22 C ATOM 0 H ALA A 93 8.722 -17.669 5.360 1.00 7.32 H new ATOM 0 HA ALA A 93 8.971 -20.319 4.065 1.00 7.11 H new ATOM 0 HB1 ALA A 93 9.863 -19.024 2.161 1.00 6.22 H new ATOM 0 HB2 ALA A 93 8.228 -18.490 2.619 1.00 6.22 H new ATOM 0 HB3 ALA A 93 9.644 -17.520 3.087 1.00 6.22 H new ATOM 1421 N LYS A 94 11.023 -20.444 5.676 1.00 8.92 N ATOM 1422 CA LYS A 94 12.352 -20.785 6.227 1.00 10.13 C ATOM 1423 C LYS A 94 12.285 -21.970 7.222 1.00 10.64 C ATOM 1424 O LYS A 94 13.174 -22.136 8.067 1.00 11.32 O ATOM 1425 CB LYS A 94 13.064 -19.545 6.864 1.00 10.90 C ATOM 1426 CG LYS A 94 12.194 -18.671 7.777 1.00 11.36 C ATOM 1427 CD LYS A 94 11.592 -19.494 8.898 1.00 11.16 C ATOM 1428 CE LYS A 94 10.146 -19.840 8.611 1.00 10.61 C ATOM 1429 NZ LYS A 94 9.519 -20.607 9.722 1.00 11.01 N ATOM 0 H LYS A 94 10.257 -20.957 6.111 1.00 8.92 H new ATOM 0 HA LYS A 94 12.961 -21.107 5.382 1.00 10.13 H new ATOM 0 HB2 LYS A 94 13.921 -19.897 7.439 1.00 10.90 H new ATOM 0 HB3 LYS A 94 13.454 -18.921 6.060 1.00 10.90 H new ATOM 0 HG2 LYS A 94 12.795 -17.864 8.195 1.00 11.36 H new ATOM 0 HG3 LYS A 94 11.399 -18.207 7.193 1.00 11.36 H new ATOM 0 HD2 LYS A 94 12.168 -20.410 9.029 1.00 11.16 H new ATOM 0 HD3 LYS A 94 11.657 -18.940 9.834 1.00 11.16 H new ATOM 0 HE2 LYS A 94 9.582 -18.923 8.441 1.00 10.61 H new ATOM 0 HE3 LYS A 94 10.090 -20.423 7.692 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 9.167 -21.517 9.361 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 10.225 -20.780 10.466 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 8.726 -20.061 10.116 1.00 11.01 H new ATOM 1443 N ASP A 95 11.237 -22.801 7.094 1.00 10.41 N ATOM 1444 CA ASP A 95 11.021 -23.955 7.975 1.00 10.95 C ATOM 1445 C ASP A 95 11.849 -25.187 7.567 1.00 11.36 C ATOM 1446 O ASP A 95 11.540 -26.324 7.947 1.00 11.72 O ATOM 1447 CB ASP A 95 9.522 -24.287 8.043 1.00 10.75 C ATOM 1448 CG ASP A 95 9.128 -24.975 9.339 1.00 10.79 C ATOM 1449 OD1 ASP A 95 9.170 -26.223 9.386 1.00 11.08 O ATOM 1450 OD2 ASP A 95 8.779 -24.266 10.306 1.00 10.72 O ATOM 0 H ASP A 95 10.519 -22.690 6.378 1.00 10.41 H new ATOM 0 HA ASP A 95 11.372 -23.677 8.969 1.00 10.95 H new ATOM 0 HB2 ASP A 95 8.946 -23.368 7.936 1.00 10.75 H new ATOM 0 HB3 ASP A 95 9.258 -24.928 7.202 1.00 10.75 H new ATOM 1455 N GLY A 96 12.906 -24.929 6.816 1.00 11.41 N ATOM 1456 CA GLY A 96 13.788 -25.983 6.330 1.00 11.89 C ATOM 1457 C GLY A 96 14.106 -25.818 4.872 1.00 11.67 C ATOM 1458 O GLY A 96 13.192 -25.653 4.058 1.00 11.82 O ATOM 0 H GLY A 96 13.178 -23.990 6.526 1.00 11.41 H new ATOM 0 HA2 GLY A 96 14.713 -25.977 6.906 1.00 11.89 H new ATOM 0 HA3 GLY A 96 13.318 -26.953 6.492 1.00 11.89 H new ATOM 1462 N ASN A 97 15.417 -25.871 4.536 1.00 11.48 N ATOM 1463 CA ASN A 97 15.919 -25.728 3.151 1.00 11.39 C ATOM 1464 C ASN A 97 15.682 -24.326 2.571 1.00 11.24 C ATOM 1465 O ASN A 97 16.406 -23.875 1.678 1.00 11.69 O ATOM 1466 CB ASN A 97 15.254 -26.781 2.284 1.00 10.47 C ATOM 1467 CG ASN A 97 16.139 -27.280 1.156 1.00 10.82 C ATOM 1468 OD1 ASN A 97 16.886 -28.245 1.318 1.00 11.12 O ATOM 1469 ND2 ASN A 97 16.058 -26.622 0.005 1.00 10.95 N ATOM 0 H ASN A 97 16.158 -26.015 5.222 1.00 11.48 H new ATOM 0 HA ASN A 97 17.000 -25.870 3.166 1.00 11.39 H new ATOM 0 HB2 ASN A 97 14.964 -27.626 2.909 1.00 10.47 H new ATOM 0 HB3 ASN A 97 14.338 -26.368 1.862 1.00 10.47 H new ATOM 0 HD21 ASN A 97 16.629 -26.911 -0.789 1.00 10.95 H new ATOM 0 HD22 ASN A 97 15.425 -25.827 -0.085 1.00 10.95 H new ATOM 1476 N GLY A 98 14.662 -23.671 3.101 1.00 10.71 N ATOM 1477 CA GLY A 98 14.280 -22.332 2.684 1.00 10.57 C ATOM 1478 C GLY A 98 12.972 -22.312 1.912 1.00 9.35 C ATOM 1479 O GLY A 98 12.376 -21.248 1.736 1.00 9.23 O ATOM 0 H GLY A 98 14.072 -24.056 3.838 1.00 10.71 H new ATOM 0 HA2 GLY A 98 14.189 -21.694 3.563 1.00 10.57 H new ATOM 0 HA3 GLY A 98 15.070 -21.909 2.064 1.00 10.57 H new ATOM 1483 N TYR A 99 12.503 -23.500 1.490 1.00 8.53 N ATOM 1484 CA TYR A 99 11.259 -23.635 0.737 1.00 7.35 C ATOM 1485 C TYR A 99 10.031 -23.469 1.635 1.00 6.60 C ATOM 1486 O TYR A 99 10.008 -23.968 2.764 1.00 6.68 O ATOM 1487 CB TYR A 99 11.186 -25.011 0.053 1.00 7.03 C ATOM 1488 CG TYR A 99 11.869 -25.101 -1.299 1.00 7.42 C ATOM 1489 CD1 TYR A 99 13.258 -25.124 -1.400 1.00 7.29 C ATOM 1490 CD2 TYR A 99 11.124 -25.182 -2.478 1.00 8.16 C ATOM 1491 CE1 TYR A 99 13.884 -25.221 -2.628 1.00 7.85 C ATOM 1492 CE2 TYR A 99 11.749 -25.278 -3.708 1.00 8.71 C ATOM 1493 CZ TYR A 99 13.126 -25.297 -3.777 1.00 8.53 C ATOM 1494 OH TYR A 99 13.748 -25.395 -5.000 1.00 9.21 O ATOM 0 H TYR A 99 12.979 -24.385 1.664 1.00 8.53 H new ATOM 0 HA TYR A 99 11.257 -22.844 -0.013 1.00 7.35 H new ATOM 0 HB2 TYR A 99 11.632 -25.752 0.717 1.00 7.03 H new ATOM 0 HB3 TYR A 99 10.137 -25.282 -0.069 1.00 7.03 H new ATOM 0 HD1 TYR A 99 13.856 -25.065 -0.503 1.00 7.29 H new ATOM 0 HD2 TYR A 99 10.045 -25.169 -2.428 1.00 8.16 H new ATOM 0 HE1 TYR A 99 14.962 -25.237 -2.687 1.00 7.85 H new ATOM 0 HE2 TYR A 99 11.160 -25.338 -4.612 1.00 8.71 H new ATOM 0 HH TYR A 99 13.072 -25.441 -5.708 1.00 9.21 H new ATOM 1504 N ILE A 100 9.022 -22.767 1.119 1.00 6.19 N ATOM 1505 CA ILE A 100 7.768 -22.544 1.840 1.00 5.73 C ATOM 1506 C ILE A 100 6.689 -23.487 1.306 1.00 4.64 C ATOM 1507 O ILE A 100 6.556 -23.649 0.092 1.00 4.17 O ATOM 1508 CB ILE A 100 7.294 -21.054 1.743 1.00 5.84 C ATOM 1509 CG1 ILE A 100 6.009 -20.827 2.572 1.00 5.96 C ATOM 1510 CG2 ILE A 100 7.092 -20.609 0.285 1.00 5.70 C ATOM 1511 CD1 ILE A 100 5.895 -19.448 3.197 1.00 6.65 C ATOM 0 H ILE A 100 9.050 -22.339 0.194 1.00 6.19 H new ATOM 0 HA ILE A 100 7.945 -22.756 2.894 1.00 5.73 H new ATOM 0 HB ILE A 100 8.087 -20.435 2.163 1.00 5.84 H new ATOM 0 HG12 ILE A 100 5.144 -20.993 1.930 1.00 5.96 H new ATOM 0 HG13 ILE A 100 5.966 -21.575 3.364 1.00 5.96 H new ATOM 0 HG21 ILE A 100 6.763 -19.570 0.264 1.00 5.70 H new ATOM 0 HG22 ILE A 100 8.033 -20.703 -0.258 1.00 5.70 H new ATOM 0 HG23 ILE A 100 6.337 -21.238 -0.186 1.00 5.70 H new ATOM 0 HD11 ILE A 100 4.964 -19.379 3.759 1.00 6.65 H new ATOM 0 HD12 ILE A 100 6.737 -19.282 3.869 1.00 6.65 H new ATOM 0 HD13 ILE A 100 5.902 -18.691 2.413 1.00 6.65 H new ATOM 1523 N SER A 101 5.909 -24.085 2.213 1.00 4.56 N ATOM 1524 CA SER A 101 4.848 -24.992 1.812 1.00 3.87 C ATOM 1525 C SER A 101 3.679 -24.240 1.198 1.00 3.18 C ATOM 1526 O SER A 101 3.385 -23.102 1.574 1.00 3.33 O ATOM 1527 CB SER A 101 4.377 -25.866 2.970 1.00 4.59 C ATOM 1528 OG SER A 101 3.853 -25.090 4.036 1.00 5.48 O ATOM 0 H SER A 101 5.997 -23.954 3.221 1.00 4.56 H new ATOM 0 HA SER A 101 5.267 -25.651 1.051 1.00 3.87 H new ATOM 0 HB2 SER A 101 3.614 -26.559 2.616 1.00 4.59 H new ATOM 0 HB3 SER A 101 5.210 -26.468 3.334 1.00 4.59 H new ATOM 0 HG SER A 101 4.575 -24.572 4.449 1.00 5.48 H new ATOM 1534 N ALA A 102 3.028 -24.904 0.244 1.00 2.74 N ATOM 1535 CA ALA A 102 1.879 -24.343 -0.493 1.00 2.63 C ATOM 1536 C ALA A 102 0.749 -23.813 0.411 1.00 3.39 C ATOM 1537 O ALA A 102 -0.010 -22.940 -0.007 1.00 3.61 O ATOM 1538 CB ALA A 102 1.322 -25.389 -1.445 1.00 3.06 C ATOM 0 H ALA A 102 3.277 -25.850 -0.046 1.00 2.74 H new ATOM 0 HA ALA A 102 2.261 -23.481 -1.040 1.00 2.63 H new ATOM 0 HB1 ALA A 102 0.474 -24.972 -1.988 1.00 3.06 H new ATOM 0 HB2 ALA A 102 2.096 -25.685 -2.153 1.00 3.06 H new ATOM 0 HB3 ALA A 102 0.996 -26.261 -0.878 1.00 3.06 H new ATOM 1544 N ALA A 103 0.658 -24.338 1.640 1.00 4.09 N ATOM 1545 CA ALA A 103 -0.390 -23.944 2.596 1.00 5.20 C ATOM 1546 C ALA A 103 -0.065 -22.675 3.405 1.00 5.47 C ATOM 1547 O ALA A 103 -0.980 -22.049 3.949 1.00 6.33 O ATOM 1548 CB ALA A 103 -0.677 -25.098 3.544 1.00 5.96 C ATOM 0 H ALA A 103 1.302 -25.042 1.999 1.00 4.09 H new ATOM 0 HA ALA A 103 -1.269 -23.702 1.998 1.00 5.20 H new ATOM 0 HB1 ALA A 103 -1.453 -24.804 4.251 1.00 5.96 H new ATOM 0 HB2 ALA A 103 -1.015 -25.963 2.973 1.00 5.96 H new ATOM 0 HB3 ALA A 103 0.231 -25.356 4.089 1.00 5.96 H new ATOM 1554 N GLU A 104 1.222 -22.296 3.486 1.00 4.91 N ATOM 1555 CA GLU A 104 1.643 -21.118 4.277 1.00 5.33 C ATOM 1556 C GLU A 104 1.372 -19.780 3.569 1.00 4.76 C ATOM 1557 O GLU A 104 0.859 -18.852 4.196 1.00 5.38 O ATOM 1558 CB GLU A 104 3.129 -21.214 4.650 1.00 5.44 C ATOM 1559 CG GLU A 104 3.459 -22.359 5.598 1.00 6.31 C ATOM 1560 CD GLU A 104 4.934 -22.423 5.943 1.00 6.92 C ATOM 1561 OE1 GLU A 104 5.340 -21.788 6.938 1.00 7.26 O ATOM 1562 OE2 GLU A 104 5.684 -23.109 5.216 1.00 7.37 O ATOM 0 H GLU A 104 1.987 -22.782 3.018 1.00 4.91 H new ATOM 0 HA GLU A 104 1.033 -21.132 5.180 1.00 5.33 H new ATOM 0 HB2 GLU A 104 3.715 -21.331 3.738 1.00 5.44 H new ATOM 0 HB3 GLU A 104 3.439 -20.275 5.109 1.00 5.44 H new ATOM 0 HG2 GLU A 104 2.880 -22.246 6.514 1.00 6.31 H new ATOM 0 HG3 GLU A 104 3.155 -23.302 5.143 1.00 6.31 H new ATOM 1569 N LEU A 105 1.749 -19.682 2.279 1.00 3.64 N ATOM 1570 CA LEU A 105 1.562 -18.468 1.451 1.00 3.09 C ATOM 1571 C LEU A 105 0.227 -17.786 1.601 1.00 4.03 C ATOM 1572 O LEU A 105 0.167 -16.560 1.711 1.00 4.13 O ATOM 1573 CB LEU A 105 1.713 -18.809 -0.028 1.00 2.35 C ATOM 1574 CG LEU A 105 2.933 -19.661 -0.408 1.00 1.65 C ATOM 1575 CD1 LEU A 105 2.724 -20.333 -1.752 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.195 -18.812 -0.414 1.00 1.38 C ATOM 0 H LEU A 105 2.196 -20.448 1.776 1.00 3.64 H new ATOM 0 HA LEU A 105 2.329 -17.783 1.812 1.00 3.09 H new ATOM 0 HB2 LEU A 105 0.814 -19.334 -0.352 1.00 2.35 H new ATOM 0 HB3 LEU A 105 1.758 -17.877 -0.591 1.00 2.35 H new ATOM 0 HG LEU A 105 3.053 -20.443 0.342 1.00 1.65 H new ATOM 0 HD11 LEU A 105 3.601 -20.931 -2.000 1.00 2.00 H new ATOM 0 HD12 LEU A 105 1.847 -20.978 -1.704 1.00 2.00 H new ATOM 0 HD13 LEU A 105 2.574 -19.573 -2.519 1.00 2.00 H new ATOM 0 HD21 LEU A 105 5.049 -19.432 -0.685 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.087 -18.005 -1.139 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.354 -18.389 0.578 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.837 -18.571 1.578 1.00 4.83 N ATOM 1589 CA ARG A 106 -2.183 -18.020 1.688 1.00 5.95 C ATOM 1590 C ARG A 106 -2.371 -17.324 3.019 1.00 6.65 C ATOM 1591 O ARG A 106 -3.222 -16.460 3.167 1.00 7.39 O ATOM 1592 CB ARG A 106 -3.266 -19.089 1.521 1.00 6.81 C ATOM 1593 CG ARG A 106 -3.191 -19.881 0.219 1.00 6.46 C ATOM 1594 CD ARG A 106 -2.348 -21.126 0.376 1.00 5.99 C ATOM 1595 NE ARG A 106 -2.529 -22.059 -0.744 1.00 6.40 N ATOM 1596 CZ ARG A 106 -2.905 -23.341 -0.620 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -3.150 -23.878 0.574 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -3.036 -24.091 -1.706 1.00 7.37 N ATOM 0 H ARG A 106 -0.799 -19.586 1.485 1.00 4.83 H new ATOM 0 HA ARG A 106 -2.290 -17.300 0.876 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -3.201 -19.785 2.357 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -4.243 -18.609 1.581 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -4.196 -20.159 -0.098 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -2.771 -19.253 -0.567 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -1.297 -20.845 0.448 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -2.609 -21.625 1.309 1.00 5.99 H new ATOM 0 HE ARG A 106 -2.356 -21.706 -1.685 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -3.053 -23.312 1.417 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -3.435 -24.855 0.645 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -2.851 -23.692 -2.626 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -3.321 -25.067 -1.621 1.00 7.37 H new ATOM 1612 N HIS A 107 -1.590 -17.766 3.985 1.00 6.60 N ATOM 1613 CA HIS A 107 -1.566 -17.175 5.300 1.00 7.43 C ATOM 1614 C HIS A 107 -0.551 -16.027 5.327 1.00 6.90 C ATOM 1615 O HIS A 107 -0.627 -15.157 6.198 1.00 7.61 O ATOM 1616 CB HIS A 107 -1.219 -18.219 6.366 1.00 8.00 C ATOM 1617 CG HIS A 107 -2.298 -19.233 6.593 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -2.641 -20.336 5.885 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 -3.174 -19.176 7.657 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 -3.705 -20.917 6.530 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 -4.007 -20.199 7.595 1.00 10.03 N flip ATOM 0 H HIS A 107 -0.950 -18.553 3.874 1.00 6.60 H new ATOM 0 HA HIS A 107 -2.559 -16.785 5.526 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -0.305 -18.735 6.072 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -1.009 -17.709 7.306 1.00 8.00 H new ATOM 0 HD1 HIS A 107 -2.193 -20.672 5.033 1.00 9.79 H new ATOM 0 HD2 HIS A 107 -3.178 -18.413 8.422 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -4.213 -21.817 6.216 1.00 10.41 H new ATOM 1630 N VAL A 108 0.406 -16.035 4.363 1.00 5.69 N ATOM 1631 CA VAL A 108 1.422 -14.993 4.281 1.00 5.20 C ATOM 1632 C VAL A 108 0.942 -13.791 3.490 1.00 4.84 C ATOM 1633 O VAL A 108 0.802 -12.709 4.050 1.00 5.36 O ATOM 1634 CB VAL A 108 2.750 -15.541 3.664 1.00 4.27 C ATOM 1635 CG1 VAL A 108 3.845 -14.483 3.639 1.00 4.16 C ATOM 1636 CG2 VAL A 108 3.225 -16.802 4.369 1.00 4.80 C ATOM 0 H VAL A 108 0.482 -16.754 3.643 1.00 5.69 H new ATOM 0 HA VAL A 108 1.617 -14.669 5.303 1.00 5.20 H new ATOM 0 HB VAL A 108 2.527 -15.806 2.631 1.00 4.27 H new ATOM 0 HG11 VAL A 108 4.750 -14.906 3.203 1.00 4.16 H new ATOM 0 HG12 VAL A 108 3.516 -13.633 3.040 1.00 4.16 H new ATOM 0 HG13 VAL A 108 4.054 -14.151 4.656 1.00 4.16 H new ATOM 0 HG21 VAL A 108 4.150 -17.149 3.909 1.00 4.80 H new ATOM 0 HG22 VAL A 108 3.402 -16.585 5.422 1.00 4.80 H new ATOM 0 HG23 VAL A 108 2.463 -17.577 4.281 1.00 4.80 H new ATOM 1646 N MET A 109 0.692 -13.985 2.200 1.00 4.11 N ATOM 1647 CA MET A 109 0.183 -12.911 1.340 1.00 4.08 C ATOM 1648 C MET A 109 -1.069 -12.288 1.945 1.00 5.33 C ATOM 1649 O MET A 109 -1.277 -11.076 1.840 1.00 5.53 O ATOM 1650 CB MET A 109 -0.067 -13.419 -0.067 1.00 3.81 C ATOM 1651 CG MET A 109 1.214 -13.450 -0.894 1.00 2.70 C ATOM 1652 SD MET A 109 0.922 -13.715 -2.650 1.00 3.27 S ATOM 1653 CE MET A 109 0.524 -15.454 -2.646 1.00 3.46 C ATOM 0 H MET A 109 0.832 -14.875 1.722 1.00 4.11 H new ATOM 0 HA MET A 109 0.941 -12.131 1.274 1.00 4.08 H new ATOM 0 HB2 MET A 109 -0.494 -14.421 -0.021 1.00 3.81 H new ATOM 0 HB3 MET A 109 -0.802 -12.781 -0.559 1.00 3.81 H new ATOM 0 HG2 MET A 109 1.748 -12.509 -0.760 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.862 -14.241 -0.517 1.00 2.70 H new ATOM 0 HE1 MET A 109 1.388 -16.026 -2.985 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.257 -15.764 -1.636 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.317 -15.636 -3.315 1.00 3.46 H new ATOM 1663 N THR A 110 -1.902 -13.132 2.580 1.00 6.20 N ATOM 1664 CA THR A 110 -3.076 -12.640 3.304 1.00 7.45 C ATOM 1665 C THR A 110 -2.630 -11.863 4.563 1.00 7.80 C ATOM 1666 O THR A 110 -3.304 -10.912 4.969 1.00 8.54 O ATOM 1667 CB THR A 110 -4.012 -13.796 3.707 1.00 8.32 C ATOM 1668 OG1 THR A 110 -4.408 -14.512 2.531 1.00 8.16 O ATOM 1669 CG2 THR A 110 -5.270 -13.309 4.429 1.00 9.65 C ATOM 0 H THR A 110 -1.782 -14.145 2.604 1.00 6.20 H new ATOM 0 HA THR A 110 -3.627 -11.974 2.640 1.00 7.45 H new ATOM 0 HB THR A 110 -3.459 -14.436 4.394 1.00 8.32 H new ATOM 0 HG1 THR A 110 -3.886 -15.339 2.460 1.00 8.16 H new ATOM 0 HG21 THR A 110 -5.894 -14.164 4.690 1.00 9.65 H new ATOM 0 HG22 THR A 110 -4.986 -12.777 5.337 1.00 9.65 H new ATOM 0 HG23 THR A 110 -5.828 -12.639 3.775 1.00 9.65 H new ATOM 1677 N ASN A 111 -1.492 -12.277 5.180 1.00 7.42 N ATOM 1678 CA ASN A 111 -0.964 -11.587 6.375 1.00 8.00 C ATOM 1679 C ASN A 111 -0.557 -10.127 6.070 1.00 7.57 C ATOM 1680 O ASN A 111 -0.692 -9.257 6.935 1.00 8.26 O ATOM 1681 CB ASN A 111 0.233 -12.354 6.952 1.00 7.98 C ATOM 1682 CG ASN A 111 0.409 -12.134 8.445 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -0.143 -12.871 9.262 1.00 9.84 O ATOM 1684 ND2 ASN A 111 1.181 -11.116 8.806 1.00 9.58 N ATOM 0 H ASN A 111 -0.934 -13.073 4.872 1.00 7.42 H new ATOM 0 HA ASN A 111 -1.767 -11.561 7.112 1.00 8.00 H new ATOM 0 HB2 ASN A 111 0.103 -13.419 6.759 1.00 7.98 H new ATOM 0 HB3 ASN A 111 1.141 -12.044 6.434 1.00 7.98 H new ATOM 0 HD21 ASN A 111 1.336 -10.919 9.795 1.00 9.58 H new ATOM 0 HD22 ASN A 111 1.619 -10.531 8.095 1.00 9.58 H new ATOM 1691 N LEU A 112 -0.062 -9.871 4.843 1.00 6.48 N ATOM 1692 CA LEU A 112 0.351 -8.526 4.432 1.00 6.02 C ATOM 1693 C LEU A 112 -0.800 -7.756 3.793 1.00 6.50 C ATOM 1694 O LEU A 112 -1.060 -6.604 4.152 1.00 6.87 O ATOM 1695 CB LEU A 112 1.549 -8.554 3.453 1.00 4.81 C ATOM 1696 CG LEU A 112 2.852 -9.244 3.923 1.00 4.44 C ATOM 1697 CD1 LEU A 112 3.237 -8.863 5.354 1.00 4.55 C ATOM 1698 CD2 LEU A 112 2.730 -10.750 3.782 1.00 4.77 C ATOM 0 H LEU A 112 0.059 -10.583 4.123 1.00 6.48 H new ATOM 0 HA LEU A 112 0.661 -8.016 5.344 1.00 6.02 H new ATOM 0 HB2 LEU A 112 1.221 -9.046 2.537 1.00 4.81 H new ATOM 0 HB3 LEU A 112 1.792 -7.524 3.192 1.00 4.81 H new ATOM 0 HG LEU A 112 3.655 -8.888 3.278 1.00 4.44 H new ATOM 0 HD11 LEU A 112 4.158 -9.375 5.632 1.00 4.55 H new ATOM 0 HD12 LEU A 112 3.389 -7.785 5.415 1.00 4.55 H new ATOM 0 HD13 LEU A 112 2.439 -9.156 6.036 1.00 4.55 H new ATOM 0 HD21 LEU A 112 3.654 -11.223 4.116 1.00 4.77 H new ATOM 0 HD22 LEU A 112 1.899 -11.106 4.391 1.00 4.77 H new ATOM 0 HD23 LEU A 112 2.550 -11.004 2.738 1.00 4.77 H new ATOM 1710 N GLY A 113 -1.482 -8.408 2.845 1.00 6.67 N ATOM 1711 CA GLY A 113 -2.595 -7.784 2.145 1.00 7.40 C ATOM 1712 C GLY A 113 -3.936 -8.044 2.797 1.00 8.34 C ATOM 1713 O GLY A 113 -4.221 -9.166 3.223 1.00 8.64 O ATOM 0 H GLY A 113 -1.279 -9.363 2.550 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -2.426 -6.708 2.095 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -2.621 -8.151 1.119 1.00 7.40 H new ATOM 1717 N GLU A 114 -4.756 -6.992 2.864 1.00 8.94 N ATOM 1718 CA GLU A 114 -6.096 -7.072 3.452 1.00 10.00 C ATOM 1719 C GLU A 114 -7.134 -7.412 2.389 1.00 10.47 C ATOM 1720 O GLU A 114 -8.153 -8.046 2.677 1.00 11.33 O ATOM 1721 CB GLU A 114 -6.466 -5.747 4.121 1.00 10.43 C ATOM 1722 CG GLU A 114 -5.691 -5.461 5.400 1.00 10.39 C ATOM 1723 CD GLU A 114 -6.078 -4.138 6.033 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -7.010 -4.128 6.864 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -5.449 -3.113 5.696 1.00 11.47 O ATOM 0 H GLU A 114 -4.512 -6.065 2.514 1.00 8.94 H new ATOM 0 HA GLU A 114 -6.086 -7.863 4.202 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -6.294 -4.935 3.415 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -7.532 -5.752 4.348 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -5.866 -6.266 6.114 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -4.623 -5.456 5.180 1.00 10.39 H new ATOM 1732 N LYS A 115 -6.849 -6.977 1.165 1.00 10.04 N ATOM 1733 CA LYS A 115 -7.722 -7.213 0.011 1.00 10.61 C ATOM 1734 C LYS A 115 -7.351 -8.497 -0.708 1.00 10.14 C ATOM 1735 O LYS A 115 -8.205 -9.206 -1.247 1.00 10.70 O ATOM 1736 CB LYS A 115 -7.645 -6.041 -0.978 1.00 11.03 C ATOM 1737 CG LYS A 115 -6.206 -5.686 -1.370 1.00 10.36 C ATOM 1738 CD LYS A 115 -5.822 -4.268 -0.947 1.00 10.71 C ATOM 1739 CE LYS A 115 -5.647 -4.153 0.565 1.00 10.61 C ATOM 1740 NZ LYS A 115 -5.588 -2.735 1.015 1.00 10.83 N ATOM 0 H LYS A 115 -6.005 -6.449 0.941 1.00 10.04 H new ATOM 0 HA LYS A 115 -8.740 -7.302 0.389 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -8.210 -6.292 -1.876 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -8.122 -5.167 -0.535 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -5.521 -6.398 -0.910 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -6.091 -5.784 -2.449 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -4.895 -3.980 -1.443 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -6.591 -3.570 -1.278 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -6.474 -4.658 1.065 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -4.733 -4.666 0.864 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -5.469 -2.703 2.048 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -4.784 -2.259 0.559 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -6.470 -2.251 0.753 1.00 10.83 H new ATOM 1754 N LEU A 116 -6.054 -8.765 -0.693 1.00 9.19 N ATOM 1755 CA LEU A 116 -5.465 -9.921 -1.341 1.00 8.69 C ATOM 1756 C LEU A 116 -5.942 -11.232 -0.701 1.00 9.07 C ATOM 1757 O LEU A 116 -5.742 -11.455 0.499 1.00 9.05 O ATOM 1758 CB LEU A 116 -3.952 -9.811 -1.246 1.00 7.40 C ATOM 1759 CG LEU A 116 -3.303 -8.762 -2.162 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -2.090 -8.133 -1.488 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -2.898 -9.379 -3.491 1.00 6.43 C ATOM 0 H LEU A 116 -5.371 -8.173 -0.221 1.00 9.19 H new ATOM 0 HA LEU A 116 -5.779 -9.938 -2.385 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -3.687 -9.580 -0.214 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -3.520 -10.785 -1.476 1.00 7.40 H new ATOM 0 HG LEU A 116 -4.041 -7.983 -2.351 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -1.646 -7.393 -2.154 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -2.399 -7.648 -0.562 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -1.356 -8.907 -1.265 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -2.441 -8.617 -4.122 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -2.182 -10.182 -3.316 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -3.780 -9.781 -3.989 1.00 6.43 H new ATOM 1773 N THR A 117 -6.578 -12.082 -1.508 1.00 9.56 N ATOM 1774 CA THR A 117 -7.105 -13.348 -1.037 1.00 10.01 C ATOM 1775 C THR A 117 -6.298 -14.548 -1.456 1.00 9.24 C ATOM 1776 O THR A 117 -5.223 -14.454 -2.045 1.00 8.29 O ATOM 1777 CB THR A 117 -8.546 -13.603 -1.506 1.00 11.26 C ATOM 1778 OG1 THR A 117 -8.704 -13.237 -2.883 1.00 11.46 O ATOM 1779 CG2 THR A 117 -9.497 -12.826 -0.647 1.00 12.18 C ATOM 0 H THR A 117 -6.738 -11.907 -2.500 1.00 9.56 H new ATOM 0 HA THR A 117 -7.059 -13.241 0.047 1.00 10.01 H new ATOM 0 HB THR A 117 -8.764 -14.667 -1.413 1.00 11.26 H new ATOM 0 HG1 THR A 117 -9.627 -13.408 -3.163 1.00 11.46 H new ATOM 0 HG21 THR A 117 -10.519 -13.007 -0.980 1.00 12.18 H new ATOM 0 HG22 THR A 117 -9.392 -13.143 0.391 1.00 12.18 H new ATOM 0 HG23 THR A 117 -9.273 -11.762 -0.726 1.00 12.18 H new ATOM 1787 N ASP A 118 -6.872 -15.684 -1.088 1.00 9.74 N ATOM 1788 CA ASP A 118 -6.363 -17.008 -1.383 1.00 9.28 C ATOM 1789 C ASP A 118 -6.388 -17.307 -2.868 1.00 9.42 C ATOM 1790 O ASP A 118 -5.566 -18.078 -3.369 1.00 8.80 O ATOM 1791 CB ASP A 118 -7.241 -17.993 -0.643 1.00 10.08 C ATOM 1792 CG ASP A 118 -6.760 -18.268 0.768 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -6.271 -19.390 1.020 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -6.871 -17.363 1.621 1.00 9.76 O ATOM 0 H ASP A 118 -7.741 -15.705 -0.554 1.00 9.74 H new ATOM 0 HA ASP A 118 -5.322 -17.080 -1.067 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -8.260 -17.607 -0.605 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -7.276 -18.930 -1.199 1.00 10.08 H new ATOM 1799 N GLU A 119 -7.340 -16.685 -3.560 1.00 10.37 N ATOM 1800 CA GLU A 119 -7.471 -16.835 -5.005 1.00 10.83 C ATOM 1801 C GLU A 119 -6.278 -16.201 -5.698 1.00 10.04 C ATOM 1802 O GLU A 119 -5.974 -16.519 -6.850 1.00 10.27 O ATOM 1803 CB GLU A 119 -8.787 -16.244 -5.521 1.00 12.10 C ATOM 1804 CG GLU A 119 -10.017 -17.059 -5.146 1.00 13.08 C ATOM 1805 CD GLU A 119 -11.302 -16.448 -5.670 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -11.702 -16.787 -6.804 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -11.910 -15.632 -4.945 1.00 14.78 O ATOM 0 H GLU A 119 -8.035 -16.069 -3.139 1.00 10.37 H new ATOM 0 HA GLU A 119 -7.490 -17.900 -5.237 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -8.899 -15.233 -5.128 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -8.736 -16.160 -6.607 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -9.913 -18.070 -5.540 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -10.075 -17.144 -4.061 1.00 13.08 H new ATOM 1814 N GLU A 120 -5.613 -15.294 -4.969 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.382 -14.674 -5.436 1.00 8.40 C ATOM 1816 C GLU A 120 -3.329 -15.765 -5.432 1.00 7.57 C ATOM 1817 O GLU A 120 -2.545 -15.890 -6.364 1.00 7.44 O ATOM 1818 CB GLU A 120 -3.939 -13.517 -4.520 1.00 7.71 C ATOM 1819 CG GLU A 120 -2.912 -12.565 -5.136 1.00 7.14 C ATOM 1820 CD GLU A 120 -3.479 -11.702 -6.253 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -4.173 -10.710 -5.944 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -3.228 -12.020 -7.434 1.00 8.58 O ATOM 0 H GLU A 120 -5.916 -14.977 -4.048 1.00 9.24 H new ATOM 0 HA GLU A 120 -4.529 -14.247 -6.428 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -4.820 -12.942 -4.233 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -3.521 -13.937 -3.605 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -2.513 -11.918 -4.355 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -2.077 -13.147 -5.525 1.00 7.14 H new ATOM 1829 N VAL A 121 -3.368 -16.605 -4.384 1.00 7.19 N ATOM 1830 CA VAL A 121 -2.449 -17.693 -4.256 1.00 6.42 C ATOM 1831 C VAL A 121 -2.747 -18.779 -5.290 1.00 7.15 C ATOM 1832 O VAL A 121 -1.862 -19.163 -6.048 1.00 6.95 O ATOM 1833 CB VAL A 121 -2.496 -18.253 -2.818 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -1.406 -19.264 -2.625 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -2.361 -17.136 -1.784 1.00 5.72 C ATOM 0 H VAL A 121 -4.040 -16.530 -3.620 1.00 7.19 H new ATOM 0 HA VAL A 121 -1.439 -17.330 -4.449 1.00 6.42 H new ATOM 0 HB VAL A 121 -3.464 -18.733 -2.674 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -1.447 -19.654 -1.608 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -1.539 -20.082 -3.333 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -0.438 -18.792 -2.794 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -2.398 -17.562 -0.781 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -1.410 -16.622 -1.925 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -3.179 -16.426 -1.907 1.00 5.72 H new ATOM 1845 N ASP A 122 -4.012 -19.209 -5.349 1.00 8.17 N ATOM 1846 CA ASP A 122 -4.458 -20.257 -6.301 1.00 9.00 C ATOM 1847 C ASP A 122 -4.195 -19.845 -7.750 1.00 9.58 C ATOM 1848 O ASP A 122 -4.061 -20.697 -8.629 1.00 10.07 O ATOM 1849 CB ASP A 122 -5.944 -20.576 -6.111 1.00 10.08 C ATOM 1850 CG ASP A 122 -6.238 -21.225 -4.770 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -6.570 -20.491 -3.815 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -6.137 -22.466 -4.677 1.00 9.98 O ATOM 0 H ASP A 122 -4.756 -18.851 -4.749 1.00 8.17 H new ATOM 0 HA ASP A 122 -3.876 -21.154 -6.088 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -6.523 -19.657 -6.200 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -6.274 -21.239 -6.911 1.00 10.08 H new ATOM 1857 N GLU A 123 -4.117 -18.527 -7.968 1.00 9.61 N ATOM 1858 CA GLU A 123 -3.841 -17.947 -9.288 1.00 10.24 C ATOM 1859 C GLU A 123 -2.362 -18.149 -9.655 1.00 9.65 C ATOM 1860 O GLU A 123 -2.040 -18.470 -10.803 1.00 10.36 O ATOM 1861 CB GLU A 123 -4.193 -16.453 -9.298 1.00 10.45 C ATOM 1862 CG GLU A 123 -4.613 -15.924 -10.664 1.00 11.70 C ATOM 1863 CD GLU A 123 -4.946 -14.445 -10.639 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -4.028 -13.626 -10.852 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -6.126 -14.107 -10.407 1.00 12.16 O ATOM 0 H GLU A 123 -4.244 -17.831 -7.233 1.00 9.61 H new ATOM 0 HA GLU A 123 -4.459 -18.454 -10.029 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -5.000 -16.276 -8.587 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -3.331 -15.885 -8.949 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -3.810 -16.100 -11.380 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -5.481 -16.482 -11.015 1.00 11.70 H new ATOM 1872 N MET A 124 -1.474 -17.955 -8.661 1.00 8.45 N ATOM 1873 CA MET A 124 -0.032 -18.135 -8.848 1.00 7.91 C ATOM 1874 C MET A 124 0.391 -19.576 -8.646 1.00 7.70 C ATOM 1875 O MET A 124 1.472 -19.976 -9.090 1.00 7.76 O ATOM 1876 CB MET A 124 0.756 -17.223 -7.906 1.00 6.78 C ATOM 1877 CG MET A 124 1.147 -15.892 -8.532 1.00 6.98 C ATOM 1878 SD MET A 124 0.778 -14.477 -7.477 1.00 6.62 S ATOM 1879 CE MET A 124 -0.988 -14.329 -7.714 1.00 7.40 C ATOM 0 H MET A 124 -1.738 -17.672 -7.717 1.00 8.45 H new ATOM 0 HA MET A 124 0.191 -17.862 -9.879 1.00 7.91 H new ATOM 0 HB2 MET A 124 0.159 -17.034 -7.014 1.00 6.78 H new ATOM 0 HB3 MET A 124 1.658 -17.742 -7.582 1.00 6.78 H new ATOM 0 HG2 MET A 124 2.214 -15.902 -8.756 1.00 6.98 H new ATOM 0 HG3 MET A 124 0.623 -15.776 -9.481 1.00 6.98 H new ATOM 0 HE1 MET A 124 -1.198 -13.479 -8.363 1.00 7.40 H new ATOM 0 HE2 MET A 124 -1.371 -15.240 -8.174 1.00 7.40 H new ATOM 0 HE3 MET A 124 -1.473 -14.177 -6.750 1.00 7.40 H new ATOM 1889 N ILE A 125 -0.461 -20.351 -7.978 1.00 7.60 N ATOM 1890 CA ILE A 125 -0.190 -21.752 -7.722 1.00 7.41 C ATOM 1891 C ILE A 125 -0.116 -22.567 -9.012 1.00 8.49 C ATOM 1892 O ILE A 125 0.788 -23.386 -9.186 1.00 8.45 O ATOM 1893 CB ILE A 125 -1.207 -22.360 -6.760 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -1.043 -21.747 -5.373 1.00 6.16 C ATOM 1895 CG2 ILE A 125 -0.968 -23.831 -6.706 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -2.177 -22.027 -4.444 1.00 6.48 C ATOM 0 H ILE A 125 -1.351 -20.022 -7.604 1.00 7.60 H new ATOM 0 HA ILE A 125 0.790 -21.794 -7.246 1.00 7.41 H new ATOM 0 HB ILE A 125 -2.222 -22.158 -7.102 1.00 7.24 H new ATOM 0 HG12 ILE A 125 -0.122 -22.123 -4.928 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -0.930 -20.668 -5.476 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -1.683 -24.291 -6.024 1.00 7.27 H new ATOM 0 HG22 ILE A 125 -1.091 -24.256 -7.702 1.00 7.27 H new ATOM 0 HG23 ILE A 125 0.045 -24.022 -6.353 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -1.983 -21.556 -3.480 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -3.099 -21.626 -4.864 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -2.279 -23.104 -4.308 1.00 6.48 H new ATOM 1908 N ARG A 126 -1.113 -22.362 -9.866 1.00 9.53 N ATOM 1909 CA ARG A 126 -1.201 -23.006 -11.198 1.00 10.70 C ATOM 1910 C ARG A 126 0.156 -22.983 -11.910 1.00 10.89 C ATOM 1911 O ARG A 126 0.520 -23.942 -12.597 1.00 11.45 O ATOM 1912 CB ARG A 126 -2.225 -22.295 -12.093 1.00 11.76 C ATOM 1913 CG ARG A 126 -3.605 -22.115 -11.479 1.00 12.03 C ATOM 1914 CD ARG A 126 -4.061 -20.675 -11.621 1.00 12.20 C ATOM 1915 NE ARG A 126 -5.392 -20.456 -11.043 1.00 12.92 N ATOM 1916 CZ ARG A 126 -6.188 -19.417 -11.332 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -5.809 -18.477 -12.196 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -7.375 -19.319 -10.748 1.00 14.26 N ATOM 0 H ARG A 126 -1.896 -21.741 -9.664 1.00 9.53 H new ATOM 0 HA ARG A 126 -1.514 -24.036 -11.030 1.00 10.70 H new ATOM 0 HB2 ARG A 126 -1.832 -21.314 -12.359 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -2.328 -22.859 -13.020 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -4.318 -22.779 -11.968 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -3.581 -22.394 -10.426 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -3.342 -20.018 -11.132 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -4.076 -20.403 -12.676 1.00 12.20 H new ATOM 0 HE ARG A 126 -5.736 -21.144 -10.373 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -4.898 -18.540 -12.651 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -6.429 -17.694 -12.403 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -7.677 -20.032 -10.084 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -7.986 -18.531 -10.963 1.00 14.26 H new ATOM 1932 N GLU A 127 0.895 -21.868 -11.734 1.00 10.50 N ATOM 1933 CA GLU A 127 2.225 -21.714 -12.325 1.00 10.79 C ATOM 1934 C GLU A 127 3.287 -22.429 -11.485 1.00 10.06 C ATOM 1935 O GLU A 127 4.295 -22.899 -12.020 1.00 10.61 O ATOM 1936 CB GLU A 127 2.577 -20.235 -12.448 1.00 10.70 C ATOM 1937 CG GLU A 127 1.872 -19.520 -13.599 1.00 11.77 C ATOM 1938 CD GLU A 127 2.508 -19.798 -14.950 1.00 12.85 C ATOM 1939 OE1 GLU A 127 3.420 -19.040 -15.344 1.00 13.26 O ATOM 1940 OE2 GLU A 127 2.095 -20.773 -15.612 1.00 13.42 O ATOM 0 H GLU A 127 0.586 -21.065 -11.186 1.00 10.50 H new ATOM 0 HA GLU A 127 2.207 -22.166 -13.317 1.00 10.79 H new ATOM 0 HB2 GLU A 127 2.324 -19.733 -11.514 1.00 10.70 H new ATOM 0 HB3 GLU A 127 3.655 -20.139 -12.580 1.00 10.70 H new ATOM 0 HG2 GLU A 127 0.827 -19.829 -13.625 1.00 11.77 H new ATOM 0 HG3 GLU A 127 1.882 -18.446 -13.413 1.00 11.77 H new ATOM 1947 N ALA A 128 3.047 -22.505 -10.163 1.00 8.89 N ATOM 1948 CA ALA A 128 3.965 -23.169 -9.228 1.00 8.16 C ATOM 1949 C ALA A 128 3.945 -24.696 -9.347 1.00 8.57 C ATOM 1950 O ALA A 128 4.951 -25.351 -9.060 1.00 8.66 O ATOM 1951 CB ALA A 128 3.595 -22.795 -7.814 1.00 6.87 C ATOM 0 H ALA A 128 2.218 -22.111 -9.719 1.00 8.89 H new ATOM 0 HA ALA A 128 4.970 -22.831 -9.482 1.00 8.16 H new ATOM 0 HB1 ALA A 128 4.275 -23.286 -7.118 1.00 6.87 H new ATOM 0 HB2 ALA A 128 3.670 -21.714 -7.692 1.00 6.87 H new ATOM 0 HB3 ALA A 128 2.573 -23.114 -7.609 1.00 6.87 H new ATOM 1957 N ALA A 129 2.781 -25.249 -9.756 1.00 8.95 N ATOM 1958 CA ALA A 129 2.553 -26.710 -9.904 1.00 9.43 C ATOM 1959 C ALA A 129 2.307 -27.357 -8.537 1.00 8.51 C ATOM 1960 O ALA A 129 1.295 -28.035 -8.338 1.00 8.76 O ATOM 1961 CB ALA A 129 3.694 -27.415 -10.651 1.00 10.42 C ATOM 0 H ALA A 129 1.962 -24.690 -9.996 1.00 8.95 H new ATOM 0 HA ALA A 129 1.660 -26.833 -10.517 1.00 9.43 H new ATOM 0 HB1 ALA A 129 3.474 -28.480 -10.730 1.00 10.42 H new ATOM 0 HB2 ALA A 129 3.792 -26.990 -11.650 1.00 10.42 H new ATOM 0 HB3 ALA A 129 4.627 -27.277 -10.104 1.00 10.42 H new ATOM 1967 N ILE A 130 3.247 -27.125 -7.593 1.00 7.54 N ATOM 1968 CA ILE A 130 3.183 -27.627 -6.202 1.00 6.69 C ATOM 1969 C ILE A 130 3.292 -29.160 -6.081 1.00 6.68 C ATOM 1970 O ILE A 130 3.776 -29.666 -5.068 1.00 6.97 O ATOM 1971 CB ILE A 130 1.893 -27.095 -5.490 1.00 5.80 C ATOM 1972 CG1 ILE A 130 1.902 -25.546 -5.370 1.00 5.43 C ATOM 1973 CG2 ILE A 130 1.644 -27.744 -4.121 1.00 6.19 C ATOM 1974 CD1 ILE A 130 3.129 -24.929 -4.707 1.00 4.53 C ATOM 0 H ILE A 130 4.085 -26.575 -7.780 1.00 7.54 H new ATOM 0 HA ILE A 130 4.065 -27.235 -5.696 1.00 6.69 H new ATOM 0 HB ILE A 130 1.061 -27.388 -6.131 1.00 5.80 H new ATOM 0 HG12 ILE A 130 1.805 -25.124 -6.370 1.00 5.43 H new ATOM 0 HG13 ILE A 130 1.019 -25.241 -4.808 1.00 5.43 H new ATOM 0 HG21 ILE A 130 0.736 -27.331 -3.682 1.00 6.19 H new ATOM 0 HG22 ILE A 130 1.530 -28.821 -4.244 1.00 6.19 H new ATOM 0 HG23 ILE A 130 2.489 -27.541 -3.463 1.00 6.19 H new ATOM 0 HD11 ILE A 130 3.022 -23.845 -4.680 1.00 4.53 H new ATOM 0 HD12 ILE A 130 3.223 -25.310 -3.690 1.00 4.53 H new ATOM 0 HD13 ILE A 130 4.021 -25.191 -5.276 1.00 4.53 H new ATOM 1986 N ASP A 131 2.870 -29.878 -7.116 1.00 6.58 N ATOM 1987 CA ASP A 131 2.886 -31.344 -7.122 1.00 6.68 C ATOM 1988 C ASP A 131 4.302 -31.916 -7.097 1.00 6.59 C ATOM 1989 O ASP A 131 5.247 -31.292 -7.591 1.00 6.80 O ATOM 1990 CB ASP A 131 2.119 -31.886 -8.333 1.00 7.70 C ATOM 1991 CG ASP A 131 0.622 -31.660 -8.227 1.00 7.98 C ATOM 1992 OD1 ASP A 131 0.148 -30.601 -8.689 1.00 8.18 O ATOM 1993 OD2 ASP A 131 -0.074 -32.541 -7.682 1.00 8.25 O ATOM 0 H ASP A 131 2.507 -29.465 -7.975 1.00 6.58 H new ATOM 0 HA ASP A 131 2.391 -31.667 -6.206 1.00 6.68 H new ATOM 0 HB2 ASP A 131 2.492 -31.406 -9.238 1.00 7.70 H new ATOM 0 HB3 ASP A 131 2.315 -32.953 -8.434 1.00 7.70 H new ATOM 1998 N GLY A 132 4.420 -33.113 -6.514 1.00 6.49 N ATOM 1999 CA GLY A 132 5.704 -33.781 -6.393 1.00 6.52 C ATOM 2000 C GLY A 132 6.253 -33.689 -4.984 1.00 5.87 C ATOM 2001 O GLY A 132 6.674 -34.696 -4.408 1.00 6.01 O ATOM 0 H GLY A 132 3.636 -33.634 -6.120 1.00 6.49 H new ATOM 0 HA2 GLY A 132 5.597 -34.829 -6.674 1.00 6.52 H new ATOM 0 HA3 GLY A 132 6.413 -33.335 -7.090 1.00 6.52 H new ATOM 2005 N ASP A 133 6.244 -32.469 -4.435 1.00 5.34 N ATOM 2006 CA ASP A 133 6.735 -32.209 -3.087 1.00 4.95 C ATOM 2007 C ASP A 133 5.590 -31.764 -2.225 1.00 4.57 C ATOM 2008 O ASP A 133 5.543 -32.025 -1.019 1.00 4.65 O ATOM 2009 CB ASP A 133 7.727 -31.068 -3.099 1.00 4.99 C ATOM 2010 CG ASP A 133 8.922 -31.311 -2.198 1.00 5.63 C ATOM 2011 OD1 ASP A 133 8.809 -31.062 -0.980 1.00 6.07 O ATOM 2012 OD2 ASP A 133 9.972 -31.752 -2.712 1.00 5.97 O ATOM 0 H ASP A 133 5.896 -31.639 -4.916 1.00 5.34 H new ATOM 0 HA ASP A 133 7.199 -33.122 -2.713 1.00 4.95 H new ATOM 0 HB2 ASP A 133 8.075 -30.908 -4.119 1.00 4.99 H new ATOM 0 HB3 ASP A 133 7.224 -30.153 -2.786 1.00 4.99 H new ATOM 2017 N GLY A 134 4.664 -31.080 -2.892 1.00 4.47 N ATOM 2018 CA GLY A 134 3.520 -30.534 -2.246 1.00 4.33 C ATOM 2019 C GLY A 134 3.724 -29.103 -1.745 1.00 3.73 C ATOM 2020 O GLY A 134 2.757 -28.424 -1.389 1.00 3.75 O ATOM 0 H GLY A 134 4.705 -30.900 -3.895 1.00 4.47 H new ATOM 0 HA2 GLY A 134 2.679 -30.551 -2.939 1.00 4.33 H new ATOM 0 HA3 GLY A 134 3.251 -31.170 -1.403 1.00 4.33 H new ATOM 2024 N GLN A 135 4.989 -28.665 -1.706 1.00 3.55 N ATOM 2025 CA GLN A 135 5.359 -27.324 -1.262 1.00 3.33 C ATOM 2026 C GLN A 135 5.993 -26.501 -2.408 1.00 3.69 C ATOM 2027 O GLN A 135 6.035 -26.959 -3.555 1.00 4.33 O ATOM 2028 CB GLN A 135 6.312 -27.448 -0.067 1.00 3.82 C ATOM 2029 CG GLN A 135 7.526 -28.359 -0.276 1.00 4.41 C ATOM 2030 CD GLN A 135 8.403 -28.452 0.957 1.00 5.26 C ATOM 2031 OE1 GLN A 135 9.382 -27.560 1.056 1.00 5.74 O flip ATOM 2032 NE2 GLN A 135 8.205 -29.317 1.811 1.00 5.78 N flip ATOM 0 H GLN A 135 5.786 -29.238 -1.984 1.00 3.55 H new ATOM 0 HA GLN A 135 4.462 -26.785 -0.956 1.00 3.33 H new ATOM 0 HB2 GLN A 135 6.669 -26.452 0.194 1.00 3.82 H new ATOM 0 HB3 GLN A 135 5.746 -27.818 0.788 1.00 3.82 H new ATOM 0 HG2 GLN A 135 7.184 -29.357 -0.550 1.00 4.41 H new ATOM 0 HG3 GLN A 135 8.118 -27.984 -1.111 1.00 4.41 H new ATOM 0 HE21 GLN A 135 7.441 -29.983 1.695 1.00 5.78 H new ATOM 0 HE22 GLN A 135 8.805 -29.368 2.634 1.00 5.78 H new ATOM 2041 N VAL A 136 6.481 -25.287 -2.083 1.00 3.59 N ATOM 2042 CA VAL A 136 7.115 -24.398 -3.054 1.00 4.23 C ATOM 2043 C VAL A 136 8.250 -23.598 -2.403 1.00 4.67 C ATOM 2044 O VAL A 136 8.674 -23.899 -1.286 1.00 4.74 O ATOM 2045 CB VAL A 136 6.059 -23.464 -3.738 1.00 4.02 C ATOM 2046 CG1 VAL A 136 5.658 -22.278 -2.862 1.00 3.51 C ATOM 2047 CG2 VAL A 136 6.509 -23.000 -5.126 1.00 5.08 C ATOM 0 H VAL A 136 6.443 -24.903 -1.139 1.00 3.59 H new ATOM 0 HA VAL A 136 7.558 -25.011 -3.839 1.00 4.23 H new ATOM 0 HB VAL A 136 5.166 -24.076 -3.869 1.00 4.02 H new ATOM 0 HG11 VAL A 136 4.925 -21.668 -3.389 1.00 3.51 H new ATOM 0 HG12 VAL A 136 5.224 -22.643 -1.931 1.00 3.51 H new ATOM 0 HG13 VAL A 136 6.539 -21.676 -2.640 1.00 3.51 H new ATOM 0 HG21 VAL A 136 5.744 -22.355 -5.560 1.00 5.08 H new ATOM 0 HG22 VAL A 136 7.444 -22.446 -5.039 1.00 5.08 H new ATOM 0 HG23 VAL A 136 6.659 -23.867 -5.769 1.00 5.08 H new ATOM 2057 N ASN A 137 8.748 -22.610 -3.136 1.00 5.28 N ATOM 2058 CA ASN A 137 9.823 -21.758 -2.662 1.00 5.95 C ATOM 2059 C ASN A 137 9.397 -20.283 -2.547 1.00 5.49 C ATOM 2060 O ASN A 137 8.217 -19.944 -2.676 1.00 4.60 O ATOM 2061 CB ASN A 137 11.070 -21.948 -3.543 1.00 7.18 C ATOM 2062 CG ASN A 137 10.876 -21.567 -5.002 1.00 7.90 C ATOM 2063 OD1 ASN A 137 11.282 -20.491 -5.429 1.00 8.11 O ATOM 2064 ND2 ASN A 137 10.257 -22.457 -5.768 1.00 8.51 N ATOM 0 H ASN A 137 8.417 -22.380 -4.073 1.00 5.28 H new ATOM 0 HA ASN A 137 10.078 -22.063 -1.647 1.00 5.95 H new ATOM 0 HB2 ASN A 137 11.885 -21.353 -3.131 1.00 7.18 H new ATOM 0 HB3 ASN A 137 11.380 -22.992 -3.491 1.00 7.18 H new ATOM 0 HD21 ASN A 137 10.102 -22.259 -6.756 1.00 8.51 H new ATOM 0 HD22 ASN A 137 9.937 -23.339 -5.368 1.00 8.51 H new ATOM 2071 N TYR A 138 10.392 -19.437 -2.301 1.00 6.22 N ATOM 2072 CA TYR A 138 10.225 -17.998 -2.097 1.00 6.03 C ATOM 2073 C TYR A 138 10.606 -17.192 -3.340 1.00 6.55 C ATOM 2074 O TYR A 138 10.091 -16.092 -3.560 1.00 6.13 O ATOM 2075 CB TYR A 138 11.101 -17.556 -0.905 1.00 6.78 C ATOM 2076 CG TYR A 138 12.420 -18.299 -0.847 1.00 7.93 C ATOM 2077 CD1 TYR A 138 13.634 -17.642 -0.929 1.00 8.62 C ATOM 2078 CD2 TYR A 138 12.427 -19.682 -0.767 1.00 8.50 C ATOM 2079 CE1 TYR A 138 14.817 -18.351 -0.932 1.00 9.65 C ATOM 2080 CE2 TYR A 138 13.580 -20.390 -0.767 1.00 9.54 C ATOM 2081 CZ TYR A 138 14.788 -19.731 -0.853 1.00 10.06 C ATOM 2082 OH TYR A 138 15.964 -20.445 -0.855 1.00 11.13 O ATOM 0 H TYR A 138 11.364 -19.739 -2.236 1.00 6.22 H new ATOM 0 HA TYR A 138 9.172 -17.805 -1.893 1.00 6.03 H new ATOM 0 HB2 TYR A 138 11.294 -16.486 -0.977 1.00 6.78 H new ATOM 0 HB3 TYR A 138 10.554 -17.720 0.024 1.00 6.78 H new ATOM 0 HD1 TYR A 138 13.656 -16.564 -0.991 1.00 8.62 H new ATOM 0 HD2 TYR A 138 11.487 -20.209 -0.703 1.00 8.50 H new ATOM 0 HE1 TYR A 138 15.761 -17.831 -0.996 1.00 9.65 H new ATOM 0 HE2 TYR A 138 13.554 -21.468 -0.700 1.00 9.54 H new ATOM 0 HH TYR A 138 15.765 -21.403 -0.793 1.00 11.13 H new ATOM 2092 N GLU A 139 11.514 -17.757 -4.145 1.00 7.59 N ATOM 2093 CA GLU A 139 12.018 -17.103 -5.363 1.00 8.39 C ATOM 2094 C GLU A 139 11.089 -17.284 -6.563 1.00 8.26 C ATOM 2095 O GLU A 139 11.099 -16.471 -7.485 1.00 8.61 O ATOM 2096 CB GLU A 139 13.390 -17.668 -5.722 1.00 9.64 C ATOM 2097 CG GLU A 139 14.503 -17.259 -4.767 1.00 10.21 C ATOM 2098 CD GLU A 139 15.847 -17.843 -5.155 1.00 11.39 C ATOM 2099 OE1 GLU A 139 16.167 -18.957 -4.690 1.00 11.90 O ATOM 2100 OE2 GLU A 139 16.580 -17.187 -5.925 1.00 11.94 O ATOM 0 H GLU A 139 11.920 -18.677 -3.973 1.00 7.59 H new ATOM 0 HA GLU A 139 12.077 -16.037 -5.143 1.00 8.39 H new ATOM 0 HB2 GLU A 139 13.328 -18.756 -5.745 1.00 9.64 H new ATOM 0 HB3 GLU A 139 13.652 -17.343 -6.729 1.00 9.64 H new ATOM 0 HG2 GLU A 139 14.576 -16.172 -4.744 1.00 10.21 H new ATOM 0 HG3 GLU A 139 14.248 -17.582 -3.758 1.00 10.21 H new ATOM 2107 N GLU A 140 10.338 -18.379 -6.566 1.00 7.94 N ATOM 2108 CA GLU A 140 9.410 -18.685 -7.657 1.00 8.10 C ATOM 2109 C GLU A 140 7.974 -18.234 -7.374 1.00 7.13 C ATOM 2110 O GLU A 140 7.263 -17.845 -8.304 1.00 7.54 O ATOM 2111 CB GLU A 140 9.422 -20.186 -7.958 1.00 8.42 C ATOM 2112 CG GLU A 140 10.666 -20.654 -8.701 1.00 9.47 C ATOM 2113 CD GLU A 140 10.618 -22.130 -9.047 1.00 9.95 C ATOM 2114 OE1 GLU A 140 11.242 -22.931 -8.319 1.00 10.29 O ATOM 2115 OE2 GLU A 140 9.957 -22.484 -10.045 1.00 10.17 O ATOM 0 H GLU A 140 10.352 -19.076 -5.822 1.00 7.94 H new ATOM 0 HA GLU A 140 9.760 -18.122 -8.522 1.00 8.10 H new ATOM 0 HB2 GLU A 140 9.342 -20.736 -7.020 1.00 8.42 H new ATOM 0 HB3 GLU A 140 8.541 -20.435 -8.550 1.00 8.42 H new ATOM 0 HG2 GLU A 140 10.778 -20.073 -9.617 1.00 9.47 H new ATOM 0 HG3 GLU A 140 11.546 -20.456 -8.089 1.00 9.47 H new ATOM 2122 N PHE A 141 7.544 -18.285 -6.101 1.00 5.98 N ATOM 2123 CA PHE A 141 6.174 -17.926 -5.744 1.00 5.06 C ATOM 2124 C PHE A 141 5.944 -16.432 -5.510 1.00 4.76 C ATOM 2125 O PHE A 141 5.188 -15.801 -6.254 1.00 5.06 O ATOM 2126 CB PHE A 141 5.683 -18.759 -4.553 1.00 3.97 C ATOM 2127 CG PHE A 141 4.252 -19.145 -4.702 1.00 3.73 C ATOM 2128 CD1 PHE A 141 3.259 -18.262 -4.336 1.00 3.83 C ATOM 2129 CD2 PHE A 141 3.906 -20.364 -5.260 1.00 4.10 C ATOM 2130 CE1 PHE A 141 1.937 -18.581 -4.525 1.00 4.24 C ATOM 2131 CE2 PHE A 141 2.574 -20.703 -5.437 1.00 4.47 C ATOM 2132 CZ PHE A 141 1.599 -19.799 -5.069 1.00 4.52 C ATOM 0 H PHE A 141 8.126 -18.570 -5.313 1.00 5.98 H new ATOM 0 HA PHE A 141 5.575 -18.167 -6.622 1.00 5.06 H new ATOM 0 HB2 PHE A 141 6.294 -19.657 -4.460 1.00 3.97 H new ATOM 0 HB3 PHE A 141 5.812 -18.189 -3.633 1.00 3.97 H new ATOM 0 HD1 PHE A 141 3.523 -17.311 -3.897 1.00 3.83 H new ATOM 0 HD2 PHE A 141 4.680 -21.056 -5.559 1.00 4.10 H new ATOM 0 HE1 PHE A 141 1.165 -17.878 -4.248 1.00 4.24 H new ATOM 0 HE2 PHE A 141 2.303 -21.661 -5.857 1.00 4.47 H new ATOM 0 HZ PHE A 141 0.558 -20.050 -5.210 1.00 4.52 H new ATOM 2142 N VAL A 142 6.585 -15.878 -4.483 1.00 4.40 N ATOM 2143 CA VAL A 142 6.448 -14.435 -4.142 1.00 4.15 C ATOM 2144 C VAL A 142 6.910 -13.582 -5.304 1.00 5.25 C ATOM 2145 O VAL A 142 6.302 -12.562 -5.631 1.00 5.25 O ATOM 2146 CB VAL A 142 7.263 -13.991 -2.898 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.502 -12.938 -2.104 1.00 3.37 C ATOM 2148 CG2 VAL A 142 7.620 -15.164 -2.019 1.00 3.96 C ATOM 0 H VAL A 142 7.209 -16.394 -3.863 1.00 4.40 H new ATOM 0 HA VAL A 142 5.390 -14.298 -3.918 1.00 4.15 H new ATOM 0 HB VAL A 142 8.194 -13.552 -3.255 1.00 4.09 H new ATOM 0 HG11 VAL A 142 7.091 -12.641 -1.236 1.00 3.37 H new ATOM 0 HG12 VAL A 142 6.320 -12.068 -2.735 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.549 -13.351 -1.772 1.00 3.37 H new ATOM 0 HG21 VAL A 142 8.190 -14.814 -1.159 1.00 3.96 H new ATOM 0 HG22 VAL A 142 6.708 -15.652 -1.676 1.00 3.96 H new ATOM 0 HG23 VAL A 142 8.220 -15.875 -2.587 1.00 3.96 H new ATOM 2158 N GLN A 143 8.011 -14.010 -5.911 1.00 6.26 N ATOM 2159 CA GLN A 143 8.557 -13.313 -7.077 1.00 7.42 C ATOM 2160 C GLN A 143 7.555 -13.316 -8.236 1.00 7.74 C ATOM 2161 O GLN A 143 7.568 -12.406 -9.070 1.00 8.48 O ATOM 2162 CB GLN A 143 9.889 -13.923 -7.511 1.00 8.47 C ATOM 2163 CG GLN A 143 10.856 -12.924 -8.131 1.00 9.24 C ATOM 2164 CD GLN A 143 12.164 -13.564 -8.553 1.00 10.23 C ATOM 2165 OE1 GLN A 143 13.115 -13.632 -7.775 1.00 10.70 O ATOM 2166 NE2 GLN A 143 12.218 -14.037 -9.793 1.00 10.74 N ATOM 0 H GLN A 143 8.543 -14.830 -5.620 1.00 6.26 H new ATOM 0 HA GLN A 143 8.740 -12.278 -6.789 1.00 7.42 H new ATOM 0 HB2 GLN A 143 10.365 -14.384 -6.645 1.00 8.47 H new ATOM 0 HB3 GLN A 143 9.695 -14.719 -8.230 1.00 8.47 H new ATOM 0 HG2 GLN A 143 10.387 -12.460 -8.998 1.00 9.24 H new ATOM 0 HG3 GLN A 143 11.060 -12.128 -7.414 1.00 9.24 H new ATOM 0 HE21 GLN A 143 11.405 -13.959 -10.404 1.00 10.74 H new ATOM 0 HE22 GLN A 143 13.072 -14.478 -10.134 1.00 10.74 H new ATOM 2175 N MET A 144 6.692 -14.344 -8.277 1.00 7.32 N ATOM 2176 CA MET A 144 5.670 -14.435 -9.311 1.00 7.88 C ATOM 2177 C MET A 144 4.396 -13.711 -8.913 1.00 7.37 C ATOM 2178 O MET A 144 3.441 -13.601 -9.691 1.00 8.01 O ATOM 2179 CB MET A 144 5.385 -15.885 -9.701 1.00 8.04 C ATOM 2180 CG MET A 144 5.280 -16.100 -11.204 1.00 9.33 C ATOM 2181 SD MET A 144 4.227 -17.498 -11.635 1.00 9.76 S ATOM 2182 CE MET A 144 2.611 -16.722 -11.638 1.00 9.64 C ATOM 0 H MET A 144 6.688 -15.114 -7.608 1.00 7.32 H new ATOM 0 HA MET A 144 6.068 -13.932 -10.192 1.00 7.88 H new ATOM 0 HB2 MET A 144 6.176 -16.522 -9.305 1.00 8.04 H new ATOM 0 HB3 MET A 144 4.455 -16.203 -9.231 1.00 8.04 H new ATOM 0 HG2 MET A 144 4.886 -15.197 -11.669 1.00 9.33 H new ATOM 0 HG3 MET A 144 6.277 -16.261 -11.614 1.00 9.33 H new ATOM 0 HE1 MET A 144 1.864 -17.435 -11.288 1.00 9.64 H new ATOM 0 HE2 MET A 144 2.622 -15.855 -10.977 1.00 9.64 H new ATOM 0 HE3 MET A 144 2.362 -16.403 -12.650 1.00 9.64 H new ATOM 2192 N MET A 145 4.419 -13.219 -7.695 1.00 6.37 N ATOM 2193 CA MET A 145 3.315 -12.444 -7.134 1.00 5.88 C ATOM 2194 C MET A 145 3.647 -10.959 -7.294 1.00 6.25 C ATOM 2195 O MET A 145 2.770 -10.092 -7.237 1.00 6.33 O ATOM 2196 CB MET A 145 3.010 -12.853 -5.672 1.00 4.66 C ATOM 2197 CG MET A 145 3.690 -12.016 -4.603 1.00 3.68 C ATOM 2198 SD MET A 145 2.775 -10.515 -4.205 1.00 3.52 S ATOM 2199 CE MET A 145 4.115 -9.340 -4.052 1.00 3.45 C ATOM 0 H MET A 145 5.204 -13.341 -7.056 1.00 6.37 H new ATOM 0 HA MET A 145 2.393 -12.653 -7.676 1.00 5.88 H new ATOM 0 HB2 MET A 145 1.932 -12.803 -5.517 1.00 4.66 H new ATOM 0 HB3 MET A 145 3.304 -13.894 -5.535 1.00 4.66 H new ATOM 0 HG2 MET A 145 3.808 -12.615 -3.700 1.00 3.68 H new ATOM 0 HG3 MET A 145 4.691 -11.747 -4.940 1.00 3.68 H new ATOM 0 HE1 MET A 145 3.820 -8.538 -3.375 1.00 3.45 H new ATOM 0 HE2 MET A 145 4.997 -9.843 -3.656 1.00 3.45 H new ATOM 0 HE3 MET A 145 4.346 -8.922 -5.032 1.00 3.45 H new ATOM 2209 N THR A 146 4.946 -10.710 -7.495 1.00 6.65 N ATOM 2210 CA THR A 146 5.485 -9.380 -7.722 1.00 7.20 C ATOM 2211 C THR A 146 5.582 -9.135 -9.236 1.00 8.45 C ATOM 2212 O THR A 146 5.550 -7.987 -9.690 1.00 8.99 O ATOM 2213 CB THR A 146 6.884 -9.224 -7.073 1.00 7.31 C ATOM 2214 OG1 THR A 146 6.917 -9.897 -5.808 1.00 6.44 O ATOM 2215 CG2 THR A 146 7.247 -7.755 -6.862 1.00 7.72 C ATOM 0 H THR A 146 5.656 -11.442 -7.503 1.00 6.65 H new ATOM 0 HA THR A 146 4.820 -8.648 -7.264 1.00 7.20 H new ATOM 0 HB THR A 146 7.610 -9.667 -7.754 1.00 7.31 H new ATOM 0 HG1 THR A 146 6.828 -10.863 -5.949 1.00 6.44 H new ATOM 0 HG21 THR A 146 8.234 -7.686 -6.405 1.00 7.72 H new ATOM 0 HG22 THR A 146 7.255 -7.241 -7.823 1.00 7.72 H new ATOM 0 HG23 THR A 146 6.511 -7.289 -6.207 1.00 7.72 H new ATOM 2223 N ALA A 147 5.700 -10.238 -10.005 1.00 8.92 N ATOM 2224 CA ALA A 147 5.783 -10.171 -11.464 1.00 10.15 C ATOM 2225 C ALA A 147 4.432 -10.420 -12.106 1.00 10.43 C ATOM 2226 O ALA A 147 4.148 -9.914 -13.195 1.00 11.37 O ATOM 2227 CB ALA A 147 6.803 -11.169 -11.980 1.00 10.68 C ATOM 0 H ALA A 147 5.739 -11.186 -9.630 1.00 8.92 H new ATOM 0 HA ALA A 147 6.102 -9.165 -11.735 1.00 10.15 H new ATOM 0 HB1 ALA A 147 6.854 -11.108 -13.067 1.00 10.68 H new ATOM 0 HB2 ALA A 147 7.781 -10.941 -11.557 1.00 10.68 H new ATOM 0 HB3 ALA A 147 6.507 -12.176 -11.687 1.00 10.68 H new ATOM 2233 N LYS A 148 3.603 -11.206 -11.411 1.00 9.72 N ATOM 2234 CA LYS A 148 2.247 -11.564 -11.853 1.00 10.13 C ATOM 2235 C LYS A 148 2.257 -12.381 -13.153 1.00 9.70 C ATOM 2236 O LYS A 148 1.880 -13.570 -13.102 1.00 9.60 O ATOM 2237 CB LYS A 148 1.330 -10.322 -12.002 1.00 10.60 C ATOM 2238 CG LYS A 148 1.182 -9.476 -10.734 1.00 11.38 C ATOM 2239 CD LYS A 148 0.294 -10.145 -9.691 1.00 11.36 C ATOM 2240 CE LYS A 148 0.077 -9.247 -8.484 1.00 12.34 C ATOM 2241 NZ LYS A 148 -0.781 -9.896 -7.454 1.00 12.59 N ATOM 2242 OXT LYS A 148 2.649 -11.828 -14.204 1.00 9.69 O ATOM 0 H LYS A 148 3.857 -11.618 -10.513 1.00 9.72 H new ATOM 0 HA LYS A 148 1.833 -12.193 -11.065 1.00 10.13 H new ATOM 0 HB2 LYS A 148 1.724 -9.691 -12.799 1.00 10.60 H new ATOM 0 HB3 LYS A 148 0.341 -10.654 -12.318 1.00 10.60 H new ATOM 0 HG2 LYS A 148 2.167 -9.293 -10.305 1.00 11.38 H new ATOM 0 HG3 LYS A 148 0.763 -8.504 -10.995 1.00 11.38 H new ATOM 0 HD2 LYS A 148 -0.668 -10.395 -10.138 1.00 11.36 H new ATOM 0 HD3 LYS A 148 0.750 -11.082 -9.371 1.00 11.36 H new ATOM 0 HE2 LYS A 148 1.041 -8.991 -8.044 1.00 12.34 H new ATOM 0 HE3 LYS A 148 -0.385 -8.313 -8.805 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 -1.313 -9.168 -6.937 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 -1.446 -10.548 -7.917 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 -0.183 -10.426 -6.788 1.00 12.59 H new TER 2256 LYS A 148