USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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: B 126 GLN : amide:sc= -3.55! C(o=-3.4!,f=-9.9!) USER MOD Set 1.2: B 155 GLN : amide:sc= 0.156 X(o=-3.4,f=-3.7) USER MOD Set 2.1: B 140 GLN : amide:sc= -0.133 K(o=-0.17,f=-3.3) USER MOD Set 2.2: B 143 ASN :FLIP amide:sc= -0.0418 F(o=-1.6,f=-0.17) USER MOD Set 3.1: B 121 ASN : amide:sc= 0 X(o=-1.8,f=-1.8) USER MOD Set 3.2: B 152 ASN :FLIP amide:sc= -1.76 F(o=-5.3!,f=-1.8) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.198 K(o=-0.44,f=-5.7!) USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -0.243 F(o=-2.5!,f=-0.44) USER MOD Set 5.1: A 6 ASN :FLIP amide:sc= -1.95! C(o=-8.3!,f=-4.7!) USER MOD Set 5.2: A 9 GLN : amide:sc= -2.7! C(o=-4.7!,f=-7.4!) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00549) USER MOD Single : A 10 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.7!) USER MOD Single : A 11 ASN : amide:sc= -2.36 K(o=-2.4,f=-4.7!) USER MOD Single : A 14 TYR OH : rot 18:sc= -0.869 USER MOD Single : A 18 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0343 K(o=-0.034,f=-0.66) USER MOD Single : A 23 ASN : amide:sc= -0.957 K(o=-0.96,f=-11!) USER MOD Single : A 26 GLN : amide:sc= -2.75! C(o=-2.7!,f=-6.5!) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.21! F(o=-3.4,f=-2.2!) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.26! C(o=-3.4!,f=-2.3!) USER MOD Single : A 33 SER OG : rot 79:sc= 0.0107 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.577 (180deg=-2.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 99:sc= 0.589 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -2.05! (180deg=-2.99!) USER MOD Single : A 52 ASN : amide:sc= -2.09 K(o=-2.1,f=-13!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0953 F(o=-1.3,f=-0.095) USER MOD Single : B 109 THR OG1 : rot 31:sc= -0.0256 USER MOD Single : B 110 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : B 113 SER OG : rot 50:sc= 1.22 USER MOD Single : B 118 THR OG1 : rot -12:sc= 0.757 USER MOD Single : B 123 ASN :FLIP amide:sc= -0.32 F(o=-4!,f=-0.32) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 91:sc= 0.331 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 141 SER OG : rot 180:sc= -0.867 USER MOD Single : B 149 LYS NZ :NH3+ 163:sc= -3.41! (180deg=-3.62!) USER MOD Single : B 150 LYS NZ :NH3+ 162:sc= -0.0481 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 87 N ASN A 6 -5.100 -10.177 7.776 1.00 0.35 N ATOM 88 CA ASN A 6 -4.369 -10.580 8.973 1.00 0.37 C ATOM 89 C ASN A 6 -3.346 -9.529 9.398 1.00 0.37 C ATOM 90 O ASN A 6 -3.236 -8.466 8.787 1.00 0.36 O ATOM 91 CB ASN A 6 -3.675 -11.924 8.745 1.00 0.36 C ATOM 92 CG ASN A 6 -2.790 -11.924 7.518 1.00 0.97 C ATOM 93 OD1 ASN A 6 -1.502 -11.693 7.720 1.00 1.73 O flip ATOM 94 ND2 ASN A 6 -3.258 -12.141 6.400 1.00 1.69 N flip ATOM 0 HA ASN A 6 -5.096 -10.680 9.779 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -3.075 -12.171 9.621 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -4.429 -12.705 8.644 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -4.257 -12.314 6.290 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -2.647 -12.148 5.584 1.00 1.69 H new ATOM 101 N LYS A 7 -2.601 -9.843 10.454 1.00 0.40 N ATOM 102 CA LYS A 7 -1.586 -8.939 10.984 1.00 0.43 C ATOM 103 C LYS A 7 -0.368 -8.870 10.069 1.00 0.40 C ATOM 104 O LYS A 7 0.097 -7.784 9.724 1.00 0.38 O ATOM 105 CB LYS A 7 -1.162 -9.398 12.381 1.00 0.52 C ATOM 106 CG LYS A 7 -0.144 -8.491 13.044 1.00 0.58 C ATOM 107 CD LYS A 7 -0.695 -7.095 13.251 1.00 0.60 C ATOM 108 CE LYS A 7 0.385 -6.154 13.741 1.00 1.39 C ATOM 109 NZ LYS A 7 0.805 -6.466 15.137 1.00 1.90 N ATOM 0 H LYS A 7 -2.683 -10.723 10.962 1.00 0.40 H new ATOM 0 HA LYS A 7 -2.020 -7.941 11.042 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -2.046 -9.461 13.016 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.747 -10.404 12.312 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.150 -8.913 14.005 1.00 0.58 H new ATOM 0 HG3 LYS A 7 0.755 -8.441 12.430 1.00 0.58 H new ATOM 0 HD2 LYS A 7 -1.111 -6.722 12.315 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -1.511 -7.125 13.973 1.00 0.60 H new ATOM 0 HE2 LYS A 7 1.249 -6.218 13.079 1.00 1.39 H new ATOM 0 HE3 LYS A 7 0.021 -5.128 13.692 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 1.521 -5.778 15.446 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.020 -6.414 15.768 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 1.208 -7.424 15.172 1.00 1.90 H new ATOM 123 N GLU A 8 0.144 -10.033 9.678 1.00 0.43 N ATOM 124 CA GLU A 8 1.316 -10.096 8.809 1.00 0.43 C ATOM 125 C GLU A 8 1.046 -9.403 7.479 1.00 0.37 C ATOM 126 O GLU A 8 1.965 -8.907 6.827 1.00 0.39 O ATOM 127 CB GLU A 8 1.726 -11.548 8.570 1.00 0.47 C ATOM 128 CG GLU A 8 1.955 -12.329 9.854 1.00 0.52 C ATOM 129 CD GLU A 8 2.365 -13.766 9.601 1.00 1.03 C ATOM 130 OE1 GLU A 8 1.469 -14.618 9.423 1.00 0.95 O ATOM 131 OE2 GLU A 8 3.584 -14.041 9.581 1.00 1.80 O ATOM 0 H GLU A 8 -0.232 -10.942 9.948 1.00 0.43 H new ATOM 0 HA GLU A 8 2.134 -9.576 9.308 1.00 0.43 H new ATOM 0 HB2 GLU A 8 0.952 -12.045 7.984 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.639 -11.567 7.974 1.00 0.47 H new ATOM 0 HG2 GLU A 8 2.727 -11.834 10.443 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.042 -12.316 10.450 1.00 0.52 H new ATOM 138 N GLN A 9 -0.221 -9.371 7.083 1.00 0.34 N ATOM 139 CA GLN A 9 -0.616 -8.734 5.835 1.00 0.33 C ATOM 140 C GLN A 9 -0.563 -7.219 5.985 1.00 0.30 C ATOM 141 O GLN A 9 -0.329 -6.490 5.020 1.00 0.32 O ATOM 142 CB GLN A 9 -2.027 -9.174 5.443 1.00 0.36 C ATOM 143 CG GLN A 9 -2.285 -9.136 3.947 1.00 0.38 C ATOM 144 CD GLN A 9 -3.725 -9.460 3.598 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.400 -10.195 4.319 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.199 -8.918 2.483 1.00 0.50 N ATOM 0 H GLN A 9 -0.993 -9.780 7.610 1.00 0.34 H new ATOM 0 HA GLN A 9 0.077 -9.036 5.049 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.196 -10.188 5.806 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.751 -8.531 5.944 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -2.035 -8.147 3.563 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.625 -9.847 3.449 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.603 -8.315 1.916 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.159 -9.105 2.193 1.00 0.50 H new ATOM 155 N GLN A 10 -0.786 -6.759 7.213 1.00 0.27 N ATOM 156 CA GLN A 10 -0.762 -5.338 7.525 1.00 0.25 C ATOM 157 C GLN A 10 0.674 -4.846 7.666 1.00 0.23 C ATOM 158 O GLN A 10 1.032 -3.783 7.159 1.00 0.26 O ATOM 159 CB GLN A 10 -1.541 -5.079 8.817 1.00 0.26 C ATOM 160 CG GLN A 10 -1.761 -3.608 9.118 1.00 0.26 C ATOM 161 CD GLN A 10 -0.774 -3.057 10.128 1.00 0.64 C ATOM 162 OE1 GLN A 10 0.357 -3.533 10.235 1.00 1.18 O ATOM 163 NE2 GLN A 10 -1.200 -2.046 10.876 1.00 0.89 N ATOM 0 H GLN A 10 -0.987 -7.358 8.013 1.00 0.27 H new ATOM 0 HA GLN A 10 -1.233 -4.790 6.709 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.509 -5.575 8.751 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -1.005 -5.534 9.650 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -1.682 -3.038 8.193 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.774 -3.467 9.494 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -2.145 -1.684 10.753 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -0.582 -1.632 11.574 1.00 0.89 H new ATOM 172 N ASN A 11 1.489 -5.631 8.360 1.00 0.24 N ATOM 173 CA ASN A 11 2.891 -5.293 8.566 1.00 0.23 C ATOM 174 C ASN A 11 3.634 -5.242 7.235 1.00 0.21 C ATOM 175 O ASN A 11 4.383 -4.303 6.969 1.00 0.22 O ATOM 176 CB ASN A 11 3.547 -6.315 9.495 1.00 0.27 C ATOM 177 CG ASN A 11 2.899 -6.345 10.866 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.468 -5.315 11.383 1.00 1.08 O ATOM 179 ND2 ASN A 11 2.819 -7.531 11.458 1.00 0.82 N ATOM 0 H ASN A 11 1.201 -6.509 8.791 1.00 0.24 H new ATOM 0 HA ASN A 11 2.944 -4.307 9.028 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.484 -7.305 9.044 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.606 -6.079 9.601 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.387 -7.614 12.378 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.190 -8.359 10.992 1.00 0.82 H new ATOM 186 N ALA A 12 3.418 -6.258 6.403 1.00 0.19 N ATOM 187 CA ALA A 12 4.063 -6.330 5.096 1.00 0.18 C ATOM 188 C ALA A 12 3.762 -5.083 4.272 1.00 0.15 C ATOM 189 O ALA A 12 4.622 -4.578 3.550 1.00 0.20 O ATOM 190 CB ALA A 12 3.609 -7.579 4.354 1.00 0.22 C ATOM 0 H ALA A 12 2.801 -7.043 6.612 1.00 0.19 H new ATOM 0 HA ALA A 12 5.141 -6.384 5.248 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.097 -7.621 3.380 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.876 -8.463 4.933 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.528 -7.548 4.217 1.00 0.22 H new ATOM 196 N PHE A 13 2.535 -4.595 4.393 1.00 0.13 N ATOM 197 CA PHE A 13 2.098 -3.405 3.672 1.00 0.11 C ATOM 198 C PHE A 13 2.984 -2.204 4.002 1.00 0.11 C ATOM 199 O PHE A 13 3.629 -1.635 3.121 1.00 0.15 O ATOM 200 CB PHE A 13 0.641 -3.100 4.030 1.00 0.14 C ATOM 201 CG PHE A 13 0.142 -1.780 3.516 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.397 -1.679 2.243 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.219 -0.642 4.301 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.850 -0.468 1.763 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.234 0.573 3.827 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.789 0.658 2.572 1.00 0.11 C ATOM 0 H PHE A 13 1.818 -5.009 4.989 1.00 0.13 H new ATOM 0 HA PHE A 13 2.180 -3.597 2.602 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.008 -3.894 3.634 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.534 -3.118 5.115 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.463 -2.559 1.620 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.638 -0.705 5.294 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.250 -0.396 0.762 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.152 1.457 4.442 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.177 1.601 2.216 1.00 0.11 H new ATOM 216 N TYR A 14 3.011 -1.830 5.277 1.00 0.11 N ATOM 217 CA TYR A 14 3.802 -0.689 5.730 1.00 0.13 C ATOM 218 C TYR A 14 5.287 -0.868 5.431 1.00 0.13 C ATOM 219 O TYR A 14 5.940 0.055 4.946 1.00 0.17 O ATOM 220 CB TYR A 14 3.594 -0.465 7.227 1.00 0.16 C ATOM 221 CG TYR A 14 2.235 0.099 7.567 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.913 1.413 7.254 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.275 -0.678 8.202 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.675 1.938 7.565 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.032 -0.160 8.515 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.261 1.148 8.196 1.00 0.33 C ATOM 227 OH TYR A 14 -1.494 1.671 8.512 1.00 0.42 O ATOM 0 H TYR A 14 2.493 -2.302 6.018 1.00 0.11 H new ATOM 0 HA TYR A 14 3.458 0.186 5.179 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.727 -1.412 7.750 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.363 0.214 7.595 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.644 2.035 6.759 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.503 -1.703 8.455 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.441 2.962 7.315 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.705 -0.777 9.007 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.648 2.485 7.989 1.00 0.42 H new ATOM 237 N GLU A 15 5.819 -2.049 5.728 1.00 0.11 N ATOM 238 CA GLU A 15 7.232 -2.331 5.488 1.00 0.12 C ATOM 239 C GLU A 15 7.603 -2.062 4.033 1.00 0.12 C ATOM 240 O GLU A 15 8.748 -1.731 3.724 1.00 0.19 O ATOM 241 CB GLU A 15 7.557 -3.780 5.854 1.00 0.13 C ATOM 242 CG GLU A 15 7.468 -4.068 7.343 1.00 0.19 C ATOM 243 CD GLU A 15 7.773 -5.515 7.674 1.00 1.16 C ATOM 244 OE1 GLU A 15 8.962 -5.843 7.868 1.00 1.08 O ATOM 245 OE2 GLU A 15 6.821 -6.322 7.741 1.00 2.16 O ATOM 0 H GLU A 15 5.296 -2.825 6.134 1.00 0.11 H new ATOM 0 HA GLU A 15 7.820 -1.666 6.121 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.873 -4.442 5.323 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.563 -4.016 5.507 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.165 -3.422 7.877 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.468 -3.821 7.698 1.00 0.19 H new ATOM 252 N ILE A 16 6.626 -2.206 3.143 1.00 0.10 N ATOM 253 CA ILE A 16 6.842 -1.974 1.720 1.00 0.09 C ATOM 254 C ILE A 16 6.868 -0.476 1.415 1.00 0.12 C ATOM 255 O ILE A 16 7.555 -0.030 0.495 1.00 0.16 O ATOM 256 CB ILE A 16 5.754 -2.673 0.875 1.00 0.10 C ATOM 257 CG1 ILE A 16 5.981 -4.187 0.882 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.741 -2.140 -0.552 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.839 -4.978 0.280 1.00 0.14 C ATOM 0 H ILE A 16 5.674 -2.483 3.384 1.00 0.10 H new ATOM 0 HA ILE A 16 7.809 -2.400 1.454 1.00 0.09 H new ATOM 0 HB ILE A 16 4.782 -2.458 1.319 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.895 -4.411 0.332 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.138 -4.517 1.909 1.00 0.12 H new ATOM 0 HG21 ILE A 16 4.966 -2.650 -1.124 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.537 -1.069 -0.539 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.711 -2.319 -1.016 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.072 -6.042 0.320 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.926 -4.785 0.843 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.695 -4.677 -0.758 1.00 0.14 H new ATOM 271 N LEU A 17 6.118 0.293 2.199 1.00 0.14 N ATOM 272 CA LEU A 17 6.057 1.740 2.025 1.00 0.19 C ATOM 273 C LEU A 17 7.311 2.411 2.583 1.00 0.18 C ATOM 274 O LEU A 17 7.861 3.332 1.976 1.00 0.26 O ATOM 275 CB LEU A 17 4.823 2.308 2.726 1.00 0.27 C ATOM 276 CG LEU A 17 3.555 2.359 1.874 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.843 1.015 1.887 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.636 3.462 2.368 1.00 0.77 C ATOM 0 H LEU A 17 5.543 -0.063 2.962 1.00 0.14 H new ATOM 0 HA LEU A 17 5.994 1.945 0.956 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.621 1.708 3.613 1.00 0.27 H new ATOM 0 HB3 LEU A 17 5.052 3.317 3.069 1.00 0.27 H new ATOM 0 HG LEU A 17 3.837 2.579 0.844 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.943 1.074 1.274 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.506 0.248 1.486 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.569 0.758 2.910 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.736 3.488 1.753 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.361 3.270 3.405 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.150 4.421 2.301 1.00 0.77 H new ATOM 290 N HIS A 18 7.756 1.934 3.742 1.00 0.16 N ATOM 291 CA HIS A 18 8.933 2.481 4.412 1.00 0.16 C ATOM 292 C HIS A 18 10.170 2.455 3.519 1.00 0.13 C ATOM 293 O HIS A 18 11.082 3.262 3.696 1.00 0.15 O ATOM 294 CB HIS A 18 9.207 1.702 5.700 1.00 0.17 C ATOM 295 CG HIS A 18 8.279 2.055 6.822 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.690 2.148 8.135 1.00 0.58 N ATOM 297 CD2 HIS A 18 6.956 2.339 6.822 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.659 2.473 8.894 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.596 2.595 8.122 1.00 0.33 N ATOM 0 H HIS A 18 7.314 1.162 4.241 1.00 0.16 H new ATOM 0 HA HIS A 18 8.720 3.524 4.646 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.125 0.635 5.494 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.233 1.888 6.016 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.305 2.360 5.961 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.682 2.615 9.964 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.658 2.840 8.440 1.00 0.33 H new ATOM 308 N LEU A 19 10.204 1.528 2.567 1.00 0.14 N ATOM 309 CA LEU A 19 11.340 1.413 1.660 1.00 0.14 C ATOM 310 C LEU A 19 11.634 2.756 0.987 1.00 0.16 C ATOM 311 O LEU A 19 10.825 3.252 0.202 1.00 0.18 O ATOM 312 CB LEU A 19 11.071 0.336 0.607 1.00 0.12 C ATOM 313 CG LEU A 19 10.883 -1.080 1.163 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.631 -2.067 0.037 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.097 -1.501 1.978 1.00 0.12 C ATOM 0 H LEU A 19 9.461 0.848 2.404 1.00 0.14 H new ATOM 0 HA LEU A 19 12.216 1.123 2.241 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.178 0.612 0.047 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.900 0.325 -0.100 1.00 0.12 H new ATOM 0 HG LEU A 19 10.013 -1.077 1.819 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.500 -3.066 0.452 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.731 -1.778 -0.505 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.481 -2.066 -0.645 1.00 0.13 H new ATOM 0 HD21 LEU A 19 11.944 -2.509 2.364 1.00 0.12 H new ATOM 0 HD22 LEU A 19 12.984 -1.486 1.344 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.234 -0.811 2.810 1.00 0.12 H new ATOM 327 N PRO A 20 12.797 3.368 1.292 1.00 0.18 N ATOM 328 CA PRO A 20 13.180 4.664 0.727 1.00 0.21 C ATOM 329 C PRO A 20 13.772 4.558 -0.676 1.00 0.21 C ATOM 330 O PRO A 20 13.368 5.284 -1.585 1.00 0.23 O ATOM 331 CB PRO A 20 14.235 5.161 1.712 1.00 0.24 C ATOM 332 CG PRO A 20 14.889 3.921 2.217 1.00 0.22 C ATOM 333 CD PRO A 20 13.829 2.848 2.214 1.00 0.19 C ATOM 0 HA PRO A 20 12.321 5.325 0.609 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.955 5.819 1.224 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.783 5.730 2.524 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.729 3.639 1.582 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.285 4.072 3.221 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.228 1.894 1.870 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.425 2.683 3.213 1.00 0.19 H new ATOM 341 N ASN A 21 14.729 3.652 -0.847 1.00 0.20 N ATOM 342 CA ASN A 21 15.386 3.466 -2.136 1.00 0.21 C ATOM 343 C ASN A 21 14.400 2.979 -3.192 1.00 0.20 C ATOM 344 O ASN A 21 14.618 3.169 -4.388 1.00 0.23 O ATOM 345 CB ASN A 21 16.541 2.475 -2.003 1.00 0.21 C ATOM 346 CG ASN A 21 17.582 2.933 -0.999 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.782 4.131 -0.795 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.255 1.979 -0.366 1.00 0.26 N ATOM 0 H ASN A 21 15.067 3.035 -0.109 1.00 0.20 H new ATOM 0 HA ASN A 21 15.778 4.432 -2.455 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.150 1.504 -1.700 1.00 0.21 H new ATOM 0 HB3 ASN A 21 17.013 2.339 -2.976 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.969 2.227 0.319 1.00 0.26 H new ATOM 0 HD22 ASN A 21 18.058 0.998 -0.565 1.00 0.26 H new ATOM 355 N LEU A 22 13.317 2.352 -2.746 1.00 0.18 N ATOM 356 CA LEU A 22 12.306 1.842 -3.661 1.00 0.17 C ATOM 357 C LEU A 22 11.371 2.960 -4.100 1.00 0.20 C ATOM 358 O LEU A 22 10.941 3.777 -3.286 1.00 0.26 O ATOM 359 CB LEU A 22 11.501 0.719 -3.003 1.00 0.17 C ATOM 360 CG LEU A 22 10.754 -0.196 -3.973 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.737 -0.962 -4.844 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.851 -1.155 -3.214 1.00 0.26 C ATOM 0 H LEU A 22 13.118 2.186 -1.759 1.00 0.18 H new ATOM 0 HA LEU A 22 12.814 1.442 -4.538 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.178 0.111 -2.403 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.779 1.164 -2.318 1.00 0.17 H new ATOM 0 HG LEU A 22 10.130 0.422 -4.619 1.00 0.17 H new ATOM 0 HD11 LEU A 22 11.189 -1.609 -5.529 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.342 -0.258 -5.415 1.00 0.29 H new ATOM 0 HD13 LEU A 22 12.386 -1.569 -4.213 1.00 0.29 H new ATOM 0 HD21 LEU A 22 9.327 -1.798 -3.921 1.00 0.26 H new ATOM 0 HD22 LEU A 22 10.453 -1.768 -2.543 1.00 0.26 H new ATOM 0 HD23 LEU A 22 9.124 -0.587 -2.633 1.00 0.26 H new ATOM 374 N ASN A 23 11.059 2.991 -5.390 1.00 0.22 N ATOM 375 CA ASN A 23 10.173 4.016 -5.930 1.00 0.27 C ATOM 376 C ASN A 23 8.729 3.535 -5.938 1.00 0.24 C ATOM 377 O ASN A 23 8.456 2.361 -5.690 1.00 0.29 O ATOM 378 CB ASN A 23 10.604 4.411 -7.343 1.00 0.33 C ATOM 379 CG ASN A 23 10.778 3.212 -8.254 1.00 0.75 C ATOM 380 OD1 ASN A 23 10.113 2.191 -8.088 1.00 1.59 O ATOM 381 ND2 ASN A 23 11.676 3.330 -9.224 1.00 1.33 N ATOM 0 H ASN A 23 11.404 2.322 -6.079 1.00 0.22 H new ATOM 0 HA ASN A 23 10.241 4.893 -5.286 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.861 5.084 -7.771 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.542 4.964 -7.292 1.00 0.33 H new ATOM 0 HD21 ASN A 23 11.836 2.555 -9.868 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.206 4.196 -9.326 1.00 1.33 H new ATOM 388 N GLU A 24 7.807 4.445 -6.226 1.00 0.29 N ATOM 389 CA GLU A 24 6.390 4.105 -6.261 1.00 0.29 C ATOM 390 C GLU A 24 6.095 3.116 -7.384 1.00 0.24 C ATOM 391 O GLU A 24 5.206 2.277 -7.263 1.00 0.22 O ATOM 392 CB GLU A 24 5.538 5.363 -6.443 1.00 0.36 C ATOM 393 CG GLU A 24 5.703 6.380 -5.326 1.00 1.23 C ATOM 394 CD GLU A 24 6.992 7.173 -5.442 1.00 1.42 C ATOM 395 OE1 GLU A 24 7.021 8.151 -6.218 1.00 1.25 O ATOM 396 OE2 GLU A 24 7.972 6.813 -4.757 1.00 2.17 O ATOM 0 H GLU A 24 8.014 5.421 -6.438 1.00 0.29 H new ATOM 0 HA GLU A 24 6.136 3.639 -5.309 1.00 0.29 H new ATOM 0 HB2 GLU A 24 5.798 5.833 -7.391 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.489 5.074 -6.507 1.00 0.36 H new ATOM 0 HG2 GLU A 24 4.857 7.067 -5.337 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.683 5.865 -4.365 1.00 1.23 H new ATOM 403 N GLU A 25 6.847 3.219 -8.476 1.00 0.27 N ATOM 404 CA GLU A 25 6.659 2.332 -9.618 1.00 0.28 C ATOM 405 C GLU A 25 6.746 0.871 -9.192 1.00 0.24 C ATOM 406 O GLU A 25 5.933 0.044 -9.607 1.00 0.30 O ATOM 407 CB GLU A 25 7.704 2.625 -10.696 1.00 0.36 C ATOM 408 CG GLU A 25 7.631 4.042 -11.242 1.00 0.91 C ATOM 409 CD GLU A 25 8.684 4.315 -12.298 1.00 1.60 C ATOM 410 OE1 GLU A 25 9.796 4.748 -11.930 1.00 2.20 O ATOM 411 OE2 GLU A 25 8.395 4.098 -13.494 1.00 2.00 O ATOM 0 H GLU A 25 7.591 3.907 -8.593 1.00 0.27 H new ATOM 0 HA GLU A 25 5.665 2.513 -10.027 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.698 2.454 -10.283 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.574 1.920 -11.517 1.00 0.36 H new ATOM 0 HG2 GLU A 25 6.642 4.213 -11.668 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.752 4.750 -10.422 1.00 0.91 H new ATOM 418 N GLN A 26 7.735 0.560 -8.362 1.00 0.18 N ATOM 419 CA GLN A 26 7.921 -0.800 -7.871 1.00 0.15 C ATOM 420 C GLN A 26 6.943 -1.094 -6.739 1.00 0.13 C ATOM 421 O GLN A 26 6.274 -2.127 -6.734 1.00 0.16 O ATOM 422 CB GLN A 26 9.360 -0.998 -7.387 1.00 0.15 C ATOM 423 CG GLN A 26 10.407 -0.774 -8.467 1.00 0.19 C ATOM 424 CD GLN A 26 10.461 -1.894 -9.482 1.00 1.03 C ATOM 425 OE1 GLN A 26 9.464 -2.567 -9.745 1.00 2.00 O ATOM 426 NE2 GLN A 26 11.633 -2.094 -10.066 1.00 1.59 N ATOM 0 H GLN A 26 8.420 1.231 -8.015 1.00 0.18 H new ATOM 0 HA GLN A 26 7.727 -1.493 -8.690 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.553 -0.315 -6.560 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.466 -2.010 -6.996 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.196 0.164 -8.981 1.00 0.19 H new ATOM 0 HG3 GLN A 26 11.386 -0.668 -7.999 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.433 -1.512 -9.817 1.00 1.59 H new ATOM 0 HE22 GLN A 26 11.736 -2.830 -10.765 1.00 1.59 H new ATOM 435 N ARG A 27 6.871 -0.172 -5.784 1.00 0.13 N ATOM 436 CA ARG A 27 5.974 -0.310 -4.641 1.00 0.13 C ATOM 437 C ARG A 27 4.544 -0.590 -5.093 1.00 0.14 C ATOM 438 O ARG A 27 3.796 -1.293 -4.415 1.00 0.23 O ATOM 439 CB ARG A 27 6.011 0.963 -3.794 1.00 0.14 C ATOM 440 CG ARG A 27 5.066 0.935 -2.605 1.00 0.18 C ATOM 441 CD ARG A 27 5.161 2.219 -1.799 1.00 0.41 C ATOM 442 NE ARG A 27 6.531 2.486 -1.369 1.00 1.59 N ATOM 443 CZ ARG A 27 7.125 3.671 -1.476 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.478 4.697 -2.013 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.371 3.828 -1.052 1.00 3.04 N ATOM 0 H ARG A 27 7.426 0.684 -5.779 1.00 0.13 H new ATOM 0 HA ARG A 27 6.314 -1.156 -4.043 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.028 1.120 -3.435 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.761 1.816 -4.425 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.043 0.796 -2.953 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.304 0.084 -1.967 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.799 3.053 -2.400 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.512 2.150 -0.926 1.00 0.41 H new ATOM 0 HE ARG A 27 7.064 1.717 -0.962 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.521 4.579 -2.346 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.937 5.604 -2.093 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.874 3.040 -0.644 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.827 4.737 -1.134 1.00 3.04 H new ATOM 459 N ASN A 28 4.170 -0.034 -6.241 1.00 0.13 N ATOM 460 CA ASN A 28 2.831 -0.229 -6.781 1.00 0.15 C ATOM 461 C ASN A 28 2.634 -1.675 -7.218 1.00 0.15 C ATOM 462 O ASN A 28 1.548 -2.234 -7.074 1.00 0.21 O ATOM 463 CB ASN A 28 2.584 0.718 -7.960 1.00 0.19 C ATOM 464 CG ASN A 28 2.182 2.111 -7.515 1.00 0.20 C ATOM 465 OD1 ASN A 28 2.777 2.583 -6.425 1.00 0.26 O flip ATOM 466 ND2 ASN A 28 1.354 2.763 -8.152 1.00 0.19 N flip ATOM 0 H ASN A 28 4.775 0.554 -6.814 1.00 0.13 H new ATOM 0 HA ASN A 28 2.110 -0.003 -5.995 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.488 0.781 -8.566 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.802 0.304 -8.596 1.00 0.19 H new ATOM 0 HD21 ASN A 28 0.920 2.363 -8.984 1.00 0.19 H new ATOM 0 HD22 ASN A 28 1.102 3.703 -7.848 1.00 0.19 H new ATOM 473 N ALA A 29 3.695 -2.278 -7.749 1.00 0.12 N ATOM 474 CA ALA A 29 3.642 -3.663 -8.201 1.00 0.12 C ATOM 475 C ALA A 29 3.511 -4.617 -7.019 1.00 0.11 C ATOM 476 O ALA A 29 2.805 -5.622 -7.098 1.00 0.15 O ATOM 477 CB ALA A 29 4.879 -4.000 -9.020 1.00 0.15 C ATOM 0 H ALA A 29 4.601 -1.828 -7.876 1.00 0.12 H new ATOM 0 HA ALA A 29 2.761 -3.782 -8.832 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.825 -5.037 -9.350 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.930 -3.344 -9.889 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.770 -3.860 -8.408 1.00 0.15 H new ATOM 483 N PHE A 30 4.196 -4.296 -5.924 1.00 0.10 N ATOM 484 CA PHE A 30 4.149 -5.126 -4.726 1.00 0.10 C ATOM 485 C PHE A 30 2.789 -5.013 -4.044 1.00 0.12 C ATOM 486 O PHE A 30 2.172 -6.023 -3.704 1.00 0.18 O ATOM 487 CB PHE A 30 5.265 -4.732 -3.755 1.00 0.12 C ATOM 488 CG PHE A 30 6.642 -5.057 -4.264 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.103 -6.363 -4.268 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.475 -4.055 -4.738 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.369 -6.665 -4.733 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.742 -4.351 -5.204 1.00 0.21 C ATOM 493 CZ PHE A 30 9.186 -5.659 -5.211 1.00 0.20 C ATOM 0 H PHE A 30 4.788 -3.469 -5.843 1.00 0.10 H new ATOM 0 HA PHE A 30 4.299 -6.163 -5.025 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.202 -3.662 -3.556 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.107 -5.243 -2.805 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.466 -7.155 -3.903 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.130 -3.032 -4.743 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.719 -7.687 -4.723 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.384 -3.560 -5.562 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.170 -5.895 -5.589 1.00 0.20 H new ATOM 503 N ILE A 31 2.328 -3.780 -3.846 1.00 0.10 N ATOM 504 CA ILE A 31 1.031 -3.541 -3.220 1.00 0.11 C ATOM 505 C ILE A 31 -0.071 -4.226 -4.022 1.00 0.11 C ATOM 506 O ILE A 31 -1.017 -4.780 -3.460 1.00 0.16 O ATOM 507 CB ILE A 31 0.736 -2.026 -3.100 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.679 -1.390 -2.073 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.719 -1.779 -2.716 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.517 0.110 -1.937 1.00 0.13 C ATOM 0 H ILE A 31 2.832 -2.933 -4.109 1.00 0.10 H new ATOM 0 HA ILE A 31 1.059 -3.960 -2.214 1.00 0.11 H new ATOM 0 HB ILE A 31 0.907 -1.564 -4.072 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.508 -1.854 -1.101 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.709 -1.610 -2.355 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.898 -0.707 -2.639 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.373 -2.202 -3.478 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.927 -2.252 -1.756 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.218 0.486 -1.192 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.718 0.586 -2.897 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.498 0.339 -1.624 1.00 0.13 H new ATOM 522 N GLN A 32 0.068 -4.184 -5.344 1.00 0.08 N ATOM 523 CA GLN A 32 -0.887 -4.809 -6.245 1.00 0.09 C ATOM 524 C GLN A 32 -0.982 -6.310 -5.983 1.00 0.11 C ATOM 525 O GLN A 32 -2.059 -6.838 -5.705 1.00 0.19 O ATOM 526 CB GLN A 32 -0.454 -4.567 -7.692 1.00 0.11 C ATOM 527 CG GLN A 32 -1.605 -4.511 -8.673 1.00 0.15 C ATOM 528 CD GLN A 32 -1.153 -4.221 -10.085 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.136 -2.947 -10.444 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 -0.829 -5.131 -10.847 1.00 1.04 N flip ATOM 0 H GLN A 32 0.843 -3.718 -5.816 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.868 -4.367 -6.072 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.101 -3.630 -7.743 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.230 -5.360 -7.994 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.139 -5.461 -8.655 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.310 -3.742 -8.356 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -0.858 -6.099 -10.527 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -0.532 -4.917 -11.799 1.00 1.04 H new ATOM 539 N SER A 33 0.160 -6.989 -6.069 1.00 0.09 N ATOM 540 CA SER A 33 0.218 -8.430 -5.853 1.00 0.11 C ATOM 541 C SER A 33 -0.084 -8.790 -4.400 1.00 0.10 C ATOM 542 O SER A 33 -0.380 -9.943 -4.089 1.00 0.15 O ATOM 543 CB SER A 33 1.596 -8.967 -6.248 1.00 0.13 C ATOM 544 OG SER A 33 1.868 -8.712 -7.617 1.00 1.19 O ATOM 0 H SER A 33 1.060 -6.561 -6.288 1.00 0.09 H new ATOM 0 HA SER A 33 -0.544 -8.892 -6.480 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.363 -8.502 -5.628 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.640 -10.039 -6.058 1.00 0.13 H new ATOM 0 HG SER A 33 2.151 -7.780 -7.726 1.00 1.19 H new ATOM 550 N LEU A 34 -0.006 -7.801 -3.515 1.00 0.10 N ATOM 551 CA LEU A 34 -0.275 -8.022 -2.096 1.00 0.11 C ATOM 552 C LEU A 34 -1.778 -8.117 -1.849 1.00 0.13 C ATOM 553 O LEU A 34 -2.235 -8.890 -1.006 1.00 0.18 O ATOM 554 CB LEU A 34 0.317 -6.878 -1.264 1.00 0.10 C ATOM 555 CG LEU A 34 0.873 -7.271 0.111 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.450 -6.051 0.811 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.201 -7.917 0.973 1.00 0.17 C ATOM 0 H LEU A 34 0.241 -6.840 -3.753 1.00 0.10 H new ATOM 0 HA LEU A 34 0.191 -8.961 -1.796 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.117 -6.412 -1.839 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.454 -6.121 -1.120 1.00 0.10 H new ATOM 0 HG LEU A 34 1.667 -8.002 -0.040 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.842 -6.342 1.786 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.255 -5.632 0.207 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.668 -5.303 0.943 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.222 -8.185 1.941 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -1.022 -7.215 1.117 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.573 -8.814 0.479 1.00 0.17 H new ATOM 569 N LYS A 35 -2.538 -7.328 -2.599 1.00 0.15 N ATOM 570 CA LYS A 35 -3.990 -7.304 -2.467 1.00 0.19 C ATOM 571 C LYS A 35 -4.628 -8.517 -3.140 1.00 0.22 C ATOM 572 O LYS A 35 -5.678 -8.996 -2.707 1.00 0.31 O ATOM 573 CB LYS A 35 -4.541 -6.014 -3.079 1.00 0.23 C ATOM 574 CG LYS A 35 -6.035 -5.823 -2.878 1.00 0.23 C ATOM 575 CD LYS A 35 -6.370 -5.562 -1.418 1.00 0.24 C ATOM 576 CE LYS A 35 -7.802 -5.087 -1.253 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.786 -6.145 -1.612 1.00 0.46 N ATOM 0 H LYS A 35 -2.171 -6.693 -3.308 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.238 -7.340 -1.406 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -4.015 -5.164 -2.644 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.325 -6.010 -4.147 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.382 -4.988 -3.487 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.566 -6.711 -3.222 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.219 -6.474 -0.840 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.688 -4.813 -1.015 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.964 -4.776 -0.221 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.968 -4.210 -1.879 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.596 -5.714 -2.101 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.334 -6.841 -2.238 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.116 -6.620 -0.748 1.00 0.46 H new ATOM 591 N ASP A 36 -3.989 -9.012 -4.196 1.00 0.23 N ATOM 592 CA ASP A 36 -4.500 -10.168 -4.927 1.00 0.28 C ATOM 593 C ASP A 36 -3.915 -11.466 -4.380 1.00 0.25 C ATOM 594 O ASP A 36 -4.534 -12.526 -4.477 1.00 0.33 O ATOM 595 CB ASP A 36 -4.176 -10.037 -6.416 1.00 0.34 C ATOM 596 CG ASP A 36 -4.801 -8.804 -7.036 1.00 1.07 C ATOM 597 OD1 ASP A 36 -6.016 -8.836 -7.325 1.00 0.96 O ATOM 598 OD2 ASP A 36 -4.076 -7.806 -7.234 1.00 2.07 O ATOM 0 H ASP A 36 -3.117 -8.631 -4.565 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.582 -10.198 -4.796 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -3.095 -9.998 -6.548 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.530 -10.924 -6.942 1.00 0.34 H new ATOM 603 N ASP A 37 -2.720 -11.374 -3.806 1.00 0.20 N ATOM 604 CA ASP A 37 -2.047 -12.538 -3.243 1.00 0.22 C ATOM 605 C ASP A 37 -1.506 -12.224 -1.850 1.00 0.18 C ATOM 606 O ASP A 37 -0.300 -12.058 -1.666 1.00 0.16 O ATOM 607 CB ASP A 37 -0.907 -12.990 -4.159 1.00 0.27 C ATOM 608 CG ASP A 37 -1.390 -13.369 -5.545 1.00 0.76 C ATOM 609 OD1 ASP A 37 -1.560 -12.459 -6.384 1.00 1.29 O ATOM 610 OD2 ASP A 37 -1.598 -14.576 -5.791 1.00 0.91 O ATOM 0 H ASP A 37 -2.197 -10.503 -3.719 1.00 0.20 H new ATOM 0 HA ASP A 37 -2.774 -13.346 -3.160 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.172 -12.189 -4.241 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.400 -13.843 -3.709 1.00 0.27 H new ATOM 615 N PRO A 38 -2.397 -12.135 -0.847 1.00 0.21 N ATOM 616 CA PRO A 38 -2.007 -11.837 0.536 1.00 0.21 C ATOM 617 C PRO A 38 -1.096 -12.910 1.126 1.00 0.21 C ATOM 618 O PRO A 38 -0.467 -12.701 2.163 1.00 0.23 O ATOM 619 CB PRO A 38 -3.342 -11.787 1.286 1.00 0.27 C ATOM 620 CG PRO A 38 -4.287 -12.563 0.437 1.00 0.30 C ATOM 621 CD PRO A 38 -3.853 -12.318 -0.978 1.00 0.26 C ATOM 0 HA PRO A 38 -1.435 -10.912 0.606 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.253 -12.225 2.280 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.682 -10.760 1.419 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.250 -13.625 0.680 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.315 -12.235 0.594 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.098 -13.159 -1.627 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.335 -11.437 -1.402 1.00 0.26 H new ATOM 629 N SER A 39 -1.033 -14.060 0.464 1.00 0.21 N ATOM 630 CA SER A 39 -0.189 -15.159 0.919 1.00 0.23 C ATOM 631 C SER A 39 1.271 -14.878 0.578 1.00 0.21 C ATOM 632 O SER A 39 2.184 -15.449 1.174 1.00 0.24 O ATOM 633 CB SER A 39 -0.633 -16.475 0.280 1.00 0.26 C ATOM 634 OG SER A 39 -0.547 -16.411 -1.134 1.00 1.37 O ATOM 0 H SER A 39 -1.556 -14.256 -0.389 1.00 0.21 H new ATOM 0 HA SER A 39 -0.289 -15.246 2.001 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.010 -17.290 0.649 1.00 0.26 H new ATOM 0 HB3 SER A 39 -1.658 -16.698 0.575 1.00 0.26 H new ATOM 0 HG SER A 39 -0.835 -17.265 -1.518 1.00 1.37 H new ATOM 640 N GLN A 40 1.475 -13.991 -0.391 1.00 0.19 N ATOM 641 CA GLN A 40 2.813 -13.612 -0.828 1.00 0.18 C ATOM 642 C GLN A 40 3.334 -12.430 -0.019 1.00 0.16 C ATOM 643 O GLN A 40 4.425 -11.926 -0.275 1.00 0.16 O ATOM 644 CB GLN A 40 2.806 -13.261 -2.317 1.00 0.21 C ATOM 645 CG GLN A 40 2.306 -14.387 -3.206 1.00 0.27 C ATOM 646 CD GLN A 40 3.212 -15.604 -3.170 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.422 -15.485 -2.975 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.629 -16.782 -3.359 1.00 0.69 N ATOM 0 H GLN A 40 0.723 -13.518 -0.892 1.00 0.19 H new ATOM 0 HA GLN A 40 3.476 -14.462 -0.665 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.180 -12.382 -2.471 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.817 -12.990 -2.622 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.303 -14.676 -2.891 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.227 -14.027 -4.232 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.623 -16.833 -3.517 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.188 -17.635 -3.346 1.00 0.69 H new ATOM 657 N SER A 41 2.535 -11.982 0.947 1.00 0.17 N ATOM 658 CA SER A 41 2.904 -10.852 1.799 1.00 0.20 C ATOM 659 C SER A 41 4.333 -10.988 2.316 1.00 0.20 C ATOM 660 O SER A 41 4.977 -9.994 2.650 1.00 0.25 O ATOM 661 CB SER A 41 1.936 -10.738 2.978 1.00 0.23 C ATOM 662 OG SER A 41 0.637 -10.379 2.541 1.00 1.10 O ATOM 0 H SER A 41 1.623 -12.386 1.160 1.00 0.17 H new ATOM 0 HA SER A 41 2.845 -9.948 1.194 1.00 0.20 H new ATOM 0 HB2 SER A 41 1.894 -11.688 3.511 1.00 0.23 H new ATOM 0 HB3 SER A 41 2.304 -9.993 3.684 1.00 0.23 H new ATOM 0 HG SER A 41 0.078 -11.182 2.484 1.00 1.10 H new ATOM 668 N ALA A 42 4.818 -12.223 2.390 1.00 0.18 N ATOM 669 CA ALA A 42 6.172 -12.489 2.858 1.00 0.20 C ATOM 670 C ALA A 42 7.160 -12.488 1.696 1.00 0.17 C ATOM 671 O ALA A 42 8.309 -12.075 1.842 1.00 0.18 O ATOM 672 CB ALA A 42 6.222 -13.817 3.597 1.00 0.24 C ATOM 0 H ALA A 42 4.291 -13.057 2.131 1.00 0.18 H new ATOM 0 HA ALA A 42 6.459 -11.694 3.546 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.239 -14.004 3.941 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.549 -13.782 4.454 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.913 -14.619 2.926 1.00 0.24 H new ATOM 678 N ASN A 43 6.697 -12.955 0.539 1.00 0.16 N ATOM 679 CA ASN A 43 7.533 -13.014 -0.656 1.00 0.16 C ATOM 680 C ASN A 43 7.742 -11.624 -1.243 1.00 0.13 C ATOM 681 O ASN A 43 8.872 -11.153 -1.354 1.00 0.14 O ATOM 682 CB ASN A 43 6.891 -13.924 -1.706 1.00 0.18 C ATOM 683 CG ASN A 43 6.991 -15.396 -1.349 1.00 0.21 C ATOM 684 OD1 ASN A 43 6.999 -15.699 -0.055 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.060 -16.255 -2.229 1.00 0.71 N flip ATOM 0 H ASN A 43 5.746 -13.298 0.404 1.00 0.16 H new ATOM 0 HA ASN A 43 8.503 -13.421 -0.369 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.841 -13.653 -1.822 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.372 -13.755 -2.669 1.00 0.18 H new ATOM 0 HD21 ASN A 43 7.051 -15.981 -3.211 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.126 -17.241 -1.975 1.00 0.71 H new ATOM 692 N LEU A 44 6.643 -10.980 -1.623 1.00 0.13 N ATOM 693 CA LEU A 44 6.692 -9.641 -2.194 1.00 0.12 C ATOM 694 C LEU A 44 7.495 -8.706 -1.297 1.00 0.11 C ATOM 695 O LEU A 44 8.194 -7.814 -1.777 1.00 0.12 O ATOM 696 CB LEU A 44 5.273 -9.107 -2.385 1.00 0.12 C ATOM 697 CG LEU A 44 4.365 -9.995 -3.239 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.907 -9.614 -3.044 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.751 -9.897 -4.708 1.00 0.23 C ATOM 0 H LEU A 44 5.703 -11.368 -1.545 1.00 0.13 H new ATOM 0 HA LEU A 44 7.186 -9.690 -3.164 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.814 -8.977 -1.405 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.330 -8.120 -2.844 1.00 0.12 H new ATOM 0 HG LEU A 44 4.495 -11.028 -2.917 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.278 -10.257 -3.660 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.636 -9.737 -1.995 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.760 -8.574 -3.337 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.095 -10.535 -5.300 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.651 -8.864 -5.042 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.784 -10.221 -4.835 1.00 0.23 H new ATOM 711 N LEU A 45 7.386 -8.920 0.010 1.00 0.12 N ATOM 712 CA LEU A 45 8.116 -8.115 0.981 1.00 0.13 C ATOM 713 C LEU A 45 9.611 -8.310 0.790 1.00 0.13 C ATOM 714 O LEU A 45 10.361 -7.352 0.611 1.00 0.15 O ATOM 715 CB LEU A 45 7.730 -8.522 2.402 1.00 0.15 C ATOM 716 CG LEU A 45 7.313 -7.381 3.333 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.105 -7.904 4.744 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.354 -6.271 3.326 1.00 0.14 C ATOM 0 H LEU A 45 6.798 -9.645 0.421 1.00 0.12 H new ATOM 0 HA LEU A 45 7.861 -7.066 0.828 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.909 -9.237 2.344 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.575 -9.043 2.853 1.00 0.15 H new ATOM 0 HG LEU A 45 6.372 -6.967 2.970 1.00 0.14 H new ATOM 0 HD11 LEU A 45 6.809 -7.083 5.396 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.323 -8.664 4.739 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.034 -8.342 5.110 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.037 -5.471 3.995 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.311 -6.668 3.664 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.460 -5.878 2.315 1.00 0.14 H new ATOM 730 N ALA A 46 10.031 -9.569 0.832 1.00 0.14 N ATOM 731 CA ALA A 46 11.432 -9.927 0.659 1.00 0.15 C ATOM 732 C ALA A 46 11.951 -9.451 -0.691 1.00 0.15 C ATOM 733 O ALA A 46 13.121 -9.094 -0.830 1.00 0.20 O ATOM 734 CB ALA A 46 11.599 -11.433 0.786 1.00 0.16 C ATOM 0 H ALA A 46 9.413 -10.366 0.986 1.00 0.14 H new ATOM 0 HA ALA A 46 12.014 -9.435 1.438 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.649 -11.695 0.656 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.265 -11.754 1.772 1.00 0.16 H new ATOM 0 HB3 ALA A 46 11.003 -11.931 0.021 1.00 0.16 H new ATOM 740 N GLU A 47 11.067 -9.450 -1.681 1.00 0.13 N ATOM 741 CA GLU A 47 11.418 -9.019 -3.026 1.00 0.15 C ATOM 742 C GLU A 47 11.541 -7.505 -3.086 1.00 0.13 C ATOM 743 O GLU A 47 12.299 -6.963 -3.891 1.00 0.17 O ATOM 744 CB GLU A 47 10.364 -9.497 -4.025 1.00 0.18 C ATOM 745 CG GLU A 47 10.379 -10.998 -4.254 1.00 0.28 C ATOM 746 CD GLU A 47 9.409 -11.433 -5.335 1.00 1.24 C ATOM 747 OE1 GLU A 47 9.786 -11.389 -6.525 1.00 1.09 O ATOM 748 OE2 GLU A 47 8.272 -11.818 -4.992 1.00 2.19 O ATOM 0 H GLU A 47 10.096 -9.745 -1.575 1.00 0.13 H new ATOM 0 HA GLU A 47 12.381 -9.458 -3.288 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.377 -9.202 -3.668 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.523 -8.991 -4.977 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.387 -11.310 -4.529 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.131 -11.506 -3.322 1.00 0.28 H new ATOM 755 N ALA A 48 10.790 -6.827 -2.226 1.00 0.10 N ATOM 756 CA ALA A 48 10.818 -5.370 -2.175 1.00 0.10 C ATOM 757 C ALA A 48 12.025 -4.888 -1.389 1.00 0.11 C ATOM 758 O ALA A 48 12.637 -3.877 -1.726 1.00 0.12 O ATOM 759 CB ALA A 48 9.532 -4.836 -1.565 1.00 0.11 C ATOM 0 H ALA A 48 10.156 -7.262 -1.556 1.00 0.10 H new ATOM 0 HA ALA A 48 10.899 -4.989 -3.193 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.569 -3.747 -1.534 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.683 -5.153 -2.170 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.421 -5.224 -0.553 1.00 0.11 H new ATOM 765 N LYS A 49 12.352 -5.616 -0.330 1.00 0.12 N ATOM 766 CA LYS A 49 13.499 -5.292 0.500 1.00 0.14 C ATOM 767 C LYS A 49 14.778 -5.580 -0.270 1.00 0.14 C ATOM 768 O LYS A 49 15.770 -4.859 -0.156 1.00 0.17 O ATOM 769 CB LYS A 49 13.452 -6.112 1.785 1.00 0.14 C ATOM 770 CG LYS A 49 12.230 -5.817 2.640 1.00 0.14 C ATOM 771 CD LYS A 49 12.202 -6.674 3.895 1.00 0.16 C ATOM 772 CE LYS A 49 11.745 -8.091 3.594 1.00 0.16 C ATOM 773 NZ LYS A 49 11.581 -8.898 4.833 1.00 0.21 N ATOM 0 H LYS A 49 11.834 -6.440 -0.026 1.00 0.12 H new ATOM 0 HA LYS A 49 13.476 -4.234 0.762 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.463 -7.172 1.532 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.352 -5.914 2.368 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.227 -4.763 2.919 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.326 -5.995 2.057 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.196 -6.699 4.342 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.534 -6.224 4.629 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.799 -8.060 3.054 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.470 -8.575 2.940 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.268 -9.858 4.583 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.490 -8.950 5.336 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 10.870 -8.451 5.447 1.00 0.21 H new ATOM 787 N LYS A 50 14.735 -6.649 -1.058 1.00 0.13 N ATOM 788 CA LYS A 50 15.864 -7.051 -1.882 1.00 0.16 C ATOM 789 C LYS A 50 16.058 -6.058 -3.023 1.00 0.16 C ATOM 790 O LYS A 50 17.180 -5.799 -3.456 1.00 0.22 O ATOM 791 CB LYS A 50 15.624 -8.454 -2.443 1.00 0.17 C ATOM 792 CG LYS A 50 16.643 -8.883 -3.488 1.00 0.52 C ATOM 793 CD LYS A 50 16.413 -10.316 -3.944 1.00 0.51 C ATOM 794 CE LYS A 50 17.063 -11.320 -3.002 1.00 1.36 C ATOM 795 NZ LYS A 50 16.531 -11.216 -1.614 1.00 2.10 N ATOM 0 H LYS A 50 13.920 -7.257 -1.142 1.00 0.13 H new ATOM 0 HA LYS A 50 16.765 -7.063 -1.269 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.637 -9.170 -1.621 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.628 -8.493 -2.884 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.587 -8.214 -4.347 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.648 -8.789 -3.076 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.342 -10.512 -4.001 1.00 0.51 H new ATOM 0 HD3 LYS A 50 16.815 -10.447 -4.949 1.00 0.51 H new ATOM 0 HE2 LYS A 50 16.896 -12.329 -3.378 1.00 1.36 H new ATOM 0 HE3 LYS A 50 18.141 -11.158 -2.989 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 16.758 -12.085 -1.089 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 16.964 -10.400 -1.136 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 15.499 -11.090 -1.646 1.00 2.10 H new ATOM 809 N LEU A 51 14.945 -5.512 -3.500 1.00 0.14 N ATOM 810 CA LEU A 51 14.965 -4.544 -4.589 1.00 0.15 C ATOM 811 C LEU A 51 15.396 -3.177 -4.079 1.00 0.15 C ATOM 812 O LEU A 51 16.154 -2.464 -4.736 1.00 0.18 O ATOM 813 CB LEU A 51 13.579 -4.450 -5.227 1.00 0.15 C ATOM 814 CG LEU A 51 13.488 -3.568 -6.474 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.496 -4.013 -7.523 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.078 -3.604 -7.040 1.00 0.18 C ATOM 0 H LEU A 51 14.012 -5.725 -3.147 1.00 0.14 H new ATOM 0 HA LEU A 51 15.683 -4.877 -5.339 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.250 -5.455 -5.489 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.880 -4.070 -4.482 1.00 0.15 H new ATOM 0 HG LEU A 51 13.724 -2.542 -6.190 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.414 -3.372 -8.401 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.503 -3.940 -7.113 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.294 -5.046 -7.807 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.026 -2.973 -7.927 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.820 -4.628 -7.308 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.376 -3.237 -6.291 1.00 0.18 H new ATOM 828 N ASN A 52 14.903 -2.822 -2.900 1.00 0.15 N ATOM 829 CA ASN A 52 15.234 -1.548 -2.281 1.00 0.18 C ATOM 830 C ASN A 52 16.721 -1.505 -1.967 1.00 0.17 C ATOM 831 O ASN A 52 17.326 -0.437 -1.892 1.00 0.17 O ATOM 832 CB ASN A 52 14.420 -1.353 -0.999 1.00 0.26 C ATOM 833 CG ASN A 52 14.734 -0.044 -0.302 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.106 0.979 -0.567 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.708 -0.070 0.600 1.00 0.21 N ATOM 0 H ASN A 52 14.269 -3.403 -2.351 1.00 0.15 H new ATOM 0 HA ASN A 52 14.989 -0.742 -2.973 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.357 -1.387 -1.239 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.619 -2.180 -0.317 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.960 0.781 1.103 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.204 -0.941 0.790 1.00 0.21 H new ATOM 842 N ASP A 53 17.301 -2.686 -1.781 1.00 0.18 N ATOM 843 CA ASP A 53 18.719 -2.801 -1.483 1.00 0.20 C ATOM 844 C ASP A 53 19.529 -2.859 -2.774 1.00 0.22 C ATOM 845 O ASP A 53 20.732 -2.597 -2.779 1.00 0.25 O ATOM 846 CB ASP A 53 18.988 -4.047 -0.638 1.00 0.23 C ATOM 847 CG ASP A 53 20.439 -4.151 -0.208 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.249 -4.704 -0.980 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.764 -3.679 0.902 1.00 0.34 O ATOM 0 H ASP A 53 16.807 -3.577 -1.832 1.00 0.18 H new ATOM 0 HA ASP A 53 19.024 -1.922 -0.916 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.350 -4.028 0.246 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.716 -4.935 -1.208 1.00 0.23 H new ATOM 854 N ALA A 54 18.856 -3.204 -3.870 1.00 0.22 N ATOM 855 CA ALA A 54 19.504 -3.296 -5.172 1.00 0.26 C ATOM 856 C ALA A 54 19.766 -1.910 -5.746 1.00 0.28 C ATOM 857 O ALA A 54 20.771 -1.682 -6.418 1.00 0.32 O ATOM 858 CB ALA A 54 18.645 -4.106 -6.133 1.00 0.27 C ATOM 0 H ALA A 54 17.860 -3.424 -3.880 1.00 0.22 H new ATOM 0 HA ALA A 54 20.461 -3.801 -5.041 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.141 -4.167 -7.102 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.502 -5.111 -5.735 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.676 -3.621 -6.251 1.00 0.27 H new ATOM 864 N GLN A 55 18.850 -0.989 -5.470 1.00 0.27 N ATOM 865 CA GLN A 55 18.967 0.379 -5.952 1.00 0.31 C ATOM 866 C GLN A 55 19.689 1.247 -4.928 1.00 0.33 C ATOM 867 O GLN A 55 19.983 2.415 -5.184 1.00 0.41 O ATOM 868 CB GLN A 55 17.578 0.949 -6.241 1.00 0.32 C ATOM 869 CG GLN A 55 16.709 0.019 -7.074 1.00 0.32 C ATOM 870 CD GLN A 55 15.325 0.583 -7.334 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.802 1.347 -6.379 1.00 0.61 O flip ATOM 872 NE2 GLN A 55 14.728 0.330 -8.380 1.00 0.29 N flip ATOM 0 H GLN A 55 18.015 -1.168 -4.912 1.00 0.27 H new ATOM 0 HA GLN A 55 19.550 0.377 -6.873 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.074 1.157 -5.297 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.684 1.900 -6.762 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.202 -0.175 -8.027 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.616 -0.939 -6.562 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.166 -0.261 -9.087 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.796 0.711 -8.540 1.00 0.29 H new ATOM 881 N ALA A 56 19.973 0.662 -3.769 1.00 0.28 N ATOM 882 CA ALA A 56 20.661 1.370 -2.699 1.00 0.31 C ATOM 883 C ALA A 56 22.021 1.885 -3.165 1.00 0.39 C ATOM 884 O ALA A 56 22.662 1.273 -4.019 1.00 0.44 O ATOM 885 CB ALA A 56 20.825 0.460 -1.491 1.00 0.29 C ATOM 0 H ALA A 56 19.735 -0.305 -3.548 1.00 0.28 H new ATOM 0 HA ALA A 56 20.055 2.231 -2.416 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.341 0.999 -0.697 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.843 0.144 -1.137 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.408 -0.417 -1.772 1.00 0.29 H new ATOM 1066 N THR B 109 -0.414 9.911 6.969 1.00 0.39 N ATOM 1067 CA THR B 109 -0.433 9.359 5.619 1.00 0.28 C ATOM 1068 C THR B 109 -0.465 7.833 5.648 1.00 0.25 C ATOM 1069 O THR B 109 -1.117 7.201 4.816 1.00 0.27 O ATOM 1070 CB THR B 109 0.793 9.828 4.812 1.00 0.25 C ATOM 1071 OG1 THR B 109 0.729 11.244 4.604 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.875 9.119 3.467 1.00 0.27 C ATOM 0 HA THR B 109 -1.339 9.723 5.135 1.00 0.28 H new ATOM 0 HB THR B 109 1.686 9.580 5.385 1.00 0.25 H new ATOM 0 HG1 THR B 109 0.272 11.666 5.362 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.751 9.472 2.922 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.956 8.044 3.627 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.023 9.333 2.888 1.00 0.27 H new ATOM 1080 N GLN B 110 0.237 7.252 6.614 1.00 0.30 N ATOM 1081 CA GLN B 110 0.303 5.800 6.754 1.00 0.32 C ATOM 1082 C GLN B 110 -1.050 5.207 7.146 1.00 0.30 C ATOM 1083 O GLN B 110 -1.409 4.118 6.695 1.00 0.30 O ATOM 1084 CB GLN B 110 1.362 5.423 7.789 1.00 0.42 C ATOM 1085 CG GLN B 110 2.777 5.427 7.231 1.00 0.48 C ATOM 1086 CD GLN B 110 3.840 5.314 8.306 1.00 0.85 C ATOM 1087 OE1 GLN B 110 3.500 4.673 9.419 1.00 1.34 O flip ATOM 1088 NE2 GLN B 110 4.959 5.800 8.139 1.00 1.38 N flip ATOM 0 H GLN B 110 0.771 7.766 7.315 1.00 0.30 H new ATOM 0 HA GLN B 110 0.578 5.384 5.785 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.307 6.120 8.625 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.137 4.432 8.184 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.887 4.599 6.531 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.936 6.346 6.666 1.00 0.48 H new ATOM 0 HE21 GLN B 110 5.180 6.285 7.269 1.00 1.38 H new ATOM 0 HE22 GLN B 110 5.665 5.718 8.871 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.797 5.921 7.980 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.105 5.451 8.421 1.00 0.30 C ATOM 1099 C GLU B 111 -4.060 5.385 7.242 1.00 0.28 C ATOM 1100 O GLU B 111 -4.817 4.426 7.087 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.666 6.381 9.495 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.673 6.694 10.598 1.00 0.38 C ATOM 1103 CD GLU B 111 -2.432 5.515 11.518 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -1.644 4.621 11.143 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -3.028 5.486 12.616 1.00 1.04 O ATOM 0 H GLU B 111 -1.521 6.825 8.364 1.00 0.30 H new ATOM 0 HA GLU B 111 -2.994 4.452 8.844 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.985 7.313 9.028 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.553 5.924 9.934 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.727 7.002 10.153 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -3.040 7.537 11.183 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.016 6.419 6.415 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.863 6.491 5.234 1.00 0.17 C ATOM 1114 C ALA B 112 -4.417 5.471 4.191 1.00 0.13 C ATOM 1115 O ALA B 112 -5.201 5.057 3.337 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.833 7.897 4.658 1.00 0.17 C ATOM 0 H ALA B 112 -3.400 7.222 6.541 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.887 6.254 5.522 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.470 7.942 3.774 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.197 8.604 5.404 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.811 8.155 4.382 1.00 0.17 H new ATOM 1122 N SER B 113 -3.150 5.070 4.271 1.00 0.13 N ATOM 1123 CA SER B 113 -2.589 4.092 3.344 1.00 0.11 C ATOM 1124 C SER B 113 -3.218 2.719 3.563 1.00 0.10 C ATOM 1125 O SER B 113 -3.691 2.086 2.619 1.00 0.12 O ATOM 1126 CB SER B 113 -1.071 4.007 3.521 1.00 0.15 C ATOM 1127 OG SER B 113 -0.452 5.247 3.231 1.00 0.92 O ATOM 0 H SER B 113 -2.491 5.409 4.972 1.00 0.13 H new ATOM 0 HA SER B 113 -2.811 4.416 2.327 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.837 3.711 4.544 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.668 3.234 2.866 1.00 0.15 H new ATOM 0 HG SER B 113 -0.914 5.964 3.714 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.221 2.266 4.814 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.793 0.967 5.157 1.00 0.10 C ATOM 1135 C TRP B 114 -5.289 0.942 4.854 1.00 0.12 C ATOM 1136 O TRP B 114 -5.803 -0.034 4.310 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.546 0.648 6.634 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.092 -0.681 7.066 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.966 -0.912 8.089 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.798 -1.964 6.493 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.242 -2.254 8.183 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.537 -2.920 7.217 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.986 -2.398 5.439 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.491 -4.279 6.920 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.940 -3.750 5.149 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.689 -4.675 5.886 1.00 0.23 C ATOM 0 H TRP B 114 -2.834 2.779 5.606 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.304 0.206 4.549 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.473 0.669 6.826 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -3.995 1.431 7.245 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.381 -0.149 8.732 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.870 -2.684 8.862 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.407 -1.691 4.863 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -5.068 -4.995 7.486 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.315 -4.098 4.340 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.632 -5.723 5.632 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.977 2.025 5.209 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.414 2.134 4.970 1.00 0.18 C ATOM 1159 C GLU B 115 -7.747 1.878 3.503 1.00 0.19 C ATOM 1160 O GLU B 115 -8.784 1.298 3.182 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.916 3.521 5.382 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.036 3.703 6.883 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.320 5.135 7.288 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -7.352 5.906 7.461 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -9.509 5.485 7.435 1.00 1.80 O ATOM 0 H GLU B 115 -5.563 2.839 5.663 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.914 1.377 5.574 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.237 4.276 4.986 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.890 3.696 4.924 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -8.833 3.061 7.258 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -7.112 3.374 7.358 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.861 2.319 2.617 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.054 2.141 1.185 1.00 0.12 C ATOM 1174 C ILE B 116 -6.845 0.684 0.776 1.00 0.10 C ATOM 1175 O ILE B 116 -7.470 0.197 -0.166 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.095 3.055 0.388 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.528 4.515 0.540 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.056 2.657 -1.082 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.457 5.514 0.164 1.00 0.11 C ATOM 0 H ILE B 116 -5.999 2.804 2.868 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.082 2.419 0.953 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.088 2.939 0.790 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.407 4.689 -0.080 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.827 4.689 1.574 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.374 3.316 -1.619 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.711 1.627 -1.171 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.055 2.743 -1.509 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.840 6.526 0.298 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.584 5.369 0.801 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.174 5.369 -0.878 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.971 -0.008 1.497 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.668 -1.407 1.209 1.00 0.09 C ATOM 1193 C PHE B 117 -6.706 -2.346 1.824 1.00 0.11 C ATOM 1194 O PHE B 117 -6.870 -3.480 1.375 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.277 -1.755 1.745 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.715 -3.037 1.198 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.984 -4.246 1.818 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.911 -3.030 0.069 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.463 -5.426 1.323 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.386 -4.208 -0.430 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.665 -5.406 0.197 1.00 0.20 C ATOM 0 H PHE B 117 -5.457 0.378 2.289 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.693 -1.540 0.127 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.593 -0.940 1.508 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.325 -1.825 2.832 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.608 -4.267 2.699 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.692 -2.095 -0.426 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.680 -6.362 1.816 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.759 -4.191 -1.309 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.259 -6.327 -0.194 1.00 0.20 H new ATOM 1211 N THR B 118 -7.405 -1.868 2.848 1.00 0.12 N ATOM 1212 CA THR B 118 -8.411 -2.676 3.532 1.00 0.16 C ATOM 1213 C THR B 118 -9.702 -2.790 2.724 1.00 0.18 C ATOM 1214 O THR B 118 -10.565 -3.609 3.039 1.00 0.34 O ATOM 1215 CB THR B 118 -8.740 -2.103 4.920 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.168 -0.741 4.801 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.529 -2.181 5.836 1.00 0.20 C ATOM 0 H THR B 118 -7.294 -0.926 3.223 1.00 0.12 H new ATOM 0 HA THR B 118 -7.978 -3.670 3.642 1.00 0.16 H new ATOM 0 HB THR B 118 -9.544 -2.698 5.353 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.974 -0.415 3.898 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.785 -1.770 6.813 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.224 -3.221 5.948 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.709 -1.607 5.404 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.832 -1.969 1.687 1.00 0.14 N ATOM 1226 CA LEU B 119 -11.023 -1.990 0.845 1.00 0.14 C ATOM 1227 C LEU B 119 -11.035 -3.247 -0.030 1.00 0.15 C ATOM 1228 O LEU B 119 -10.209 -3.388 -0.929 1.00 0.24 O ATOM 1229 CB LEU B 119 -11.077 -0.727 -0.010 1.00 0.16 C ATOM 1230 CG LEU B 119 -11.064 0.576 0.793 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.817 1.768 -0.116 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.371 0.752 1.553 1.00 1.01 C ATOM 0 H LEU B 119 -9.130 -1.283 1.410 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.909 -2.014 1.480 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.228 -0.728 -0.693 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.979 -0.754 -0.622 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.249 0.519 1.514 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.812 2.683 0.477 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.854 1.653 -0.614 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.607 1.825 -0.864 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.341 1.684 2.117 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.201 0.781 0.847 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.508 -0.083 2.240 1.00 1.01 H new ATOM 1244 N PRO B 120 -11.984 -4.173 0.221 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.078 -5.437 -0.524 1.00 0.26 C ATOM 1246 C PRO B 120 -12.558 -5.274 -1.964 1.00 0.26 C ATOM 1247 O PRO B 120 -12.123 -6.009 -2.850 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.089 -6.250 0.286 1.00 0.36 C ATOM 1249 CG PRO B 120 -13.936 -5.235 0.971 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.041 -4.058 1.246 1.00 0.35 C ATOM 0 HA PRO B 120 -11.098 -5.904 -0.624 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.687 -6.893 -0.360 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.589 -6.898 1.006 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.779 -4.945 0.344 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.350 -5.634 1.897 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.582 -3.115 1.159 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.627 -4.097 2.254 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.455 -4.321 -2.202 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.975 -4.102 -3.549 1.00 0.23 C ATOM 1260 C ASN B 121 -12.886 -3.574 -4.475 1.00 0.19 C ATOM 1261 O ASN B 121 -12.976 -3.715 -5.694 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.162 -3.137 -3.529 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.443 -3.809 -3.075 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.148 -4.426 -3.873 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.755 -3.687 -1.792 1.00 0.50 N ATOM 0 H ASN B 121 -13.833 -3.695 -1.491 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.318 -5.064 -3.930 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.937 -2.302 -2.865 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.306 -2.721 -4.526 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.609 -4.114 -1.432 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.141 -3.166 -1.165 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.857 -2.968 -3.890 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.753 -2.427 -4.669 1.00 0.13 C ATOM 1274 C LEU B 122 -9.714 -3.496 -4.979 1.00 0.16 C ATOM 1275 O LEU B 122 -9.295 -4.248 -4.099 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.102 -1.261 -3.927 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.553 0.128 -4.382 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.066 0.186 -4.517 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.065 1.185 -3.407 1.00 0.19 C ATOM 0 H LEU B 122 -11.767 -2.840 -2.882 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.158 -2.068 -5.615 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.313 -1.364 -2.863 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.021 -1.333 -4.046 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.117 0.328 -5.361 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.364 1.183 -4.842 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.394 -0.548 -5.253 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.526 -0.035 -3.554 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.393 2.169 -3.743 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.475 0.984 -2.417 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -8.976 1.162 -3.360 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.303 -3.548 -6.240 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.313 -4.511 -6.690 1.00 0.20 C ATOM 1293 C ASN B 123 -6.905 -3.957 -6.484 1.00 0.19 C ATOM 1294 O ASN B 123 -6.727 -2.747 -6.350 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.552 -4.846 -8.163 1.00 0.28 C ATOM 1296 CG ASN B 123 -7.467 -5.722 -8.749 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -6.480 -5.093 -9.368 1.00 1.73 O flip ATOM 1298 ND2 ASN B 123 -7.521 -6.948 -8.653 1.00 1.39 N flip ATOM 0 H ASN B 123 -9.646 -2.927 -6.973 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.408 -5.424 -6.103 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -9.513 -5.349 -8.265 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -8.614 -3.921 -8.736 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -8.302 -7.388 -8.166 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -6.785 -7.524 -9.060 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.914 -4.846 -6.448 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.536 -4.425 -6.246 1.00 0.11 C ATOM 1307 C GLY B 124 -4.176 -3.175 -7.028 1.00 0.11 C ATOM 1308 O GLY B 124 -3.525 -2.274 -6.499 1.00 0.17 O ATOM 0 H GLY B 124 -6.041 -5.852 -6.555 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.370 -4.243 -5.184 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.868 -5.235 -6.539 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.601 -3.117 -8.286 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.317 -1.966 -9.138 1.00 0.14 C ATOM 1314 C ARG B 125 -4.979 -0.702 -8.598 1.00 0.12 C ATOM 1315 O ARG B 125 -4.353 0.356 -8.524 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.803 -2.228 -10.566 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.178 -3.451 -11.215 1.00 0.58 C ATOM 1318 CD ARG B 125 -4.752 -3.700 -12.599 1.00 0.90 C ATOM 1319 NE ARG B 125 -4.124 -4.844 -13.254 1.00 1.75 N ATOM 1320 CZ ARG B 125 -4.384 -5.210 -14.505 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -5.256 -4.525 -15.234 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -3.772 -6.263 -15.031 1.00 3.25 N ATOM 0 H ARG B 125 -5.143 -3.853 -8.739 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.237 -1.816 -9.144 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.886 -2.349 -10.554 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.587 -1.353 -11.179 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.099 -3.315 -11.286 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -4.348 -4.325 -10.586 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -5.826 -3.871 -12.521 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.615 -2.810 -13.214 1.00 0.90 H new ATOM 0 HE ARG B 125 -3.448 -5.393 -12.722 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -5.729 -3.715 -14.835 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -5.453 -4.809 -16.194 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -3.101 -6.793 -14.475 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -3.973 -6.543 -15.991 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.250 -0.818 -8.223 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.006 0.316 -7.703 1.00 0.11 C ATOM 1338 C GLN B 126 -6.359 0.895 -6.445 1.00 0.09 C ATOM 1339 O GLN B 126 -6.073 2.090 -6.382 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.450 -0.103 -7.412 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.095 -0.873 -8.554 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.599 -0.998 -8.402 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.098 -1.941 -7.790 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.330 -0.047 -8.969 1.00 0.64 N ATOM 0 H GLN B 126 -6.779 -1.689 -8.270 1.00 0.12 H new ATOM 0 HA GLN B 126 -7.004 1.096 -8.465 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.468 -0.718 -6.512 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.044 0.787 -7.202 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.870 -0.373 -9.496 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.656 -1.869 -8.609 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.874 0.718 -9.467 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.348 -0.080 -8.907 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.130 0.045 -5.446 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.519 0.488 -4.196 1.00 0.08 C ATOM 1355 C VAL B 127 -4.113 1.038 -4.429 1.00 0.08 C ATOM 1356 O VAL B 127 -3.777 2.112 -3.939 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.461 -0.654 -3.155 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.860 -1.109 -2.781 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.646 -1.827 -3.679 1.00 0.10 C ATOM 0 H VAL B 127 -6.357 -0.949 -5.478 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.150 1.286 -3.804 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.970 -0.269 -2.261 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.797 -1.913 -2.048 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.413 -0.272 -2.355 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.376 -1.469 -3.671 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.621 -2.617 -2.928 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.103 -2.209 -4.592 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.629 -1.497 -3.893 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.300 0.306 -5.191 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.931 0.730 -5.479 1.00 0.10 C ATOM 1371 C ALA B 128 -1.913 2.086 -6.175 1.00 0.10 C ATOM 1372 O ALA B 128 -0.874 2.741 -6.254 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.218 -0.311 -6.330 1.00 0.10 C ATOM 0 H ALA B 128 -3.565 -0.581 -5.619 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.403 0.828 -4.531 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.200 0.021 -6.535 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.189 -1.260 -5.795 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.753 -0.441 -7.271 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.069 2.499 -6.676 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.194 3.781 -7.359 1.00 0.09 C ATOM 1381 C ALA B 129 -3.455 4.890 -6.351 1.00 0.09 C ATOM 1382 O ALA B 129 -3.055 6.039 -6.550 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.308 3.726 -8.393 1.00 0.10 C ATOM 0 H ALA B 129 -3.936 1.964 -6.623 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.258 3.994 -7.875 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.388 4.691 -8.894 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.084 2.953 -9.128 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.252 3.494 -7.899 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.131 4.531 -5.266 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.452 5.477 -4.207 1.00 0.08 C ATOM 1391 C PHE B 130 -3.291 5.597 -3.226 1.00 0.09 C ATOM 1392 O PHE B 130 -3.103 6.641 -2.599 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.720 5.033 -3.479 1.00 0.09 C ATOM 1394 CG PHE B 130 -6.977 5.253 -4.272 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.469 6.532 -4.479 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.666 4.179 -4.813 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.624 6.735 -5.210 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.822 4.376 -5.545 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.302 5.657 -5.744 1.00 0.16 C ATOM 0 H PHE B 130 -4.469 3.584 -5.097 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.625 6.456 -4.653 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.636 3.974 -3.233 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.796 5.574 -2.536 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -6.944 7.380 -4.064 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.295 3.176 -4.661 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -8.997 7.737 -5.364 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.349 3.530 -5.961 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.205 5.814 -6.316 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.512 4.524 -3.093 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.360 4.534 -2.200 1.00 0.09 C ATOM 1411 C ILE B 131 -0.274 5.399 -2.812 1.00 0.10 C ATOM 1412 O ILE B 131 0.429 6.132 -2.116 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.795 3.119 -1.960 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.903 2.160 -1.517 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.321 3.168 -0.923 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.411 2.410 -0.114 1.00 0.13 C ATOM 0 H ILE B 131 -2.658 3.645 -3.589 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.686 4.930 -1.238 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.383 2.747 -2.898 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.738 2.239 -2.214 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.531 1.137 -1.580 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.712 2.163 -0.762 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.121 3.816 -1.280 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.071 3.560 0.016 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.194 1.689 0.123 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.590 2.301 0.595 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.816 3.420 -0.048 1.00 0.13 H new ATOM 1428 N SER B 132 -0.153 5.297 -4.131 1.00 0.11 N ATOM 1429 CA SER B 132 0.821 6.076 -4.876 1.00 0.13 C ATOM 1430 C SER B 132 0.429 7.544 -4.849 1.00 0.15 C ATOM 1431 O SER B 132 1.255 8.417 -4.595 1.00 0.21 O ATOM 1432 CB SER B 132 0.891 5.587 -6.322 1.00 0.17 C ATOM 1433 OG SER B 132 1.941 6.225 -7.028 1.00 0.63 O ATOM 0 H SER B 132 -0.723 4.677 -4.707 1.00 0.11 H new ATOM 0 HA SER B 132 1.801 5.954 -4.414 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.042 4.508 -6.337 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.058 5.783 -6.821 1.00 0.17 H new ATOM 0 HG SER B 132 1.964 5.893 -7.950 1.00 0.63 H new ATOM 1439 N SER B 133 -0.848 7.796 -5.112 1.00 0.15 N ATOM 1440 CA SER B 133 -1.385 9.149 -5.109 1.00 0.19 C ATOM 1441 C SER B 133 -1.216 9.785 -3.734 1.00 0.18 C ATOM 1442 O SER B 133 -1.144 11.007 -3.606 1.00 0.26 O ATOM 1443 CB SER B 133 -2.864 9.119 -5.501 1.00 0.23 C ATOM 1444 OG SER B 133 -3.019 8.990 -6.903 1.00 0.74 O ATOM 0 H SER B 133 -1.534 7.074 -5.331 1.00 0.15 H new ATOM 0 HA SER B 133 -0.836 9.749 -5.835 1.00 0.19 H new ATOM 0 HB2 SER B 133 -3.359 8.287 -5.000 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.352 10.032 -5.161 1.00 0.23 H new ATOM 0 HG SER B 133 -3.067 8.041 -7.141 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.152 8.939 -2.710 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.990 9.400 -1.339 1.00 0.13 C ATOM 1452 C LEU B 134 0.447 9.828 -1.072 1.00 0.15 C ATOM 1453 O LEU B 134 0.713 10.986 -0.751 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.387 8.289 -0.364 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.397 8.695 0.707 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.643 7.540 1.665 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.912 9.923 1.462 1.00 0.20 C ATOM 0 H LEU B 134 -1.210 7.925 -2.807 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.639 10.263 -1.192 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.801 7.457 -0.934 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.487 7.921 0.129 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.338 8.946 0.218 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.365 7.844 2.423 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.035 6.686 1.112 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.706 7.261 2.147 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.645 10.197 2.221 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -0.959 9.702 1.942 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.784 10.752 0.765 1.00 0.20 H new ATOM 1469 N LEU B 135 1.368 8.882 -1.206 1.00 0.17 N ATOM 1470 CA LEU B 135 2.784 9.144 -0.980 1.00 0.22 C ATOM 1471 C LEU B 135 3.294 10.228 -1.924 1.00 0.24 C ATOM 1472 O LEU B 135 4.276 10.911 -1.630 1.00 0.31 O ATOM 1473 CB LEU B 135 3.590 7.855 -1.169 1.00 0.26 C ATOM 1474 CG LEU B 135 3.548 6.854 -0.001 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.251 6.964 0.790 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.720 5.439 -0.523 1.00 0.65 C ATOM 0 H LEU B 135 1.158 7.920 -1.472 1.00 0.17 H new ATOM 0 HA LEU B 135 2.910 9.498 0.043 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.228 7.352 -2.065 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.630 8.124 -1.353 1.00 0.26 H new ATOM 0 HG LEU B 135 4.369 7.096 0.673 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.260 6.241 1.606 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.158 7.970 1.198 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.406 6.759 0.133 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.689 4.737 0.311 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.916 5.209 -1.221 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.679 5.354 -1.034 1.00 0.65 H new ATOM 1488 N ASP B 136 2.621 10.379 -3.060 1.00 0.22 N ATOM 1489 CA ASP B 136 3.000 11.384 -4.047 1.00 0.26 C ATOM 1490 C ASP B 136 2.354 12.726 -3.723 1.00 0.25 C ATOM 1491 O ASP B 136 2.851 13.779 -4.122 1.00 0.29 O ATOM 1492 CB ASP B 136 2.587 10.936 -5.451 1.00 0.29 C ATOM 1493 CG ASP B 136 3.169 11.819 -6.537 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.328 11.583 -6.936 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.465 12.749 -6.988 1.00 0.40 O ATOM 0 H ASP B 136 1.810 9.818 -3.320 1.00 0.22 H new ATOM 0 HA ASP B 136 4.083 11.499 -4.015 1.00 0.26 H new ATOM 0 HB2 ASP B 136 2.911 9.908 -5.611 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.500 10.943 -5.526 1.00 0.29 H new ATOM 1500 N ASP B 137 1.241 12.678 -2.995 1.00 0.24 N ATOM 1501 CA ASP B 137 0.519 13.889 -2.615 1.00 0.27 C ATOM 1502 C ASP B 137 -0.105 13.737 -1.228 1.00 0.22 C ATOM 1503 O ASP B 137 -1.328 13.686 -1.093 1.00 0.24 O ATOM 1504 CB ASP B 137 -0.569 14.201 -3.645 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.017 14.338 -5.050 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.056 13.316 -5.762 1.00 2.13 O ATOM 1507 OD2 ASP B 137 0.344 15.471 -5.438 1.00 1.42 O ATOM 0 H ASP B 137 0.820 11.813 -2.656 1.00 0.24 H new ATOM 0 HA ASP B 137 1.230 14.714 -2.586 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -1.318 13.409 -3.628 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -1.075 15.125 -3.365 1.00 0.38 H new ATOM 1512 N PRO B 138 0.732 13.661 -0.176 1.00 0.19 N ATOM 1513 CA PRO B 138 0.256 13.512 1.208 1.00 0.21 C ATOM 1514 C PRO B 138 -0.701 14.626 1.626 1.00 0.22 C ATOM 1515 O PRO B 138 -1.334 14.548 2.678 1.00 0.31 O ATOM 1516 CB PRO B 138 1.543 13.575 2.038 1.00 0.24 C ATOM 1517 CG PRO B 138 2.622 13.176 1.094 1.00 0.25 C ATOM 1518 CD PRO B 138 2.204 13.703 -0.248 1.00 0.23 C ATOM 0 HA PRO B 138 -0.311 12.591 1.341 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.712 14.577 2.431 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.496 12.901 2.893 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.582 13.594 1.397 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.740 12.093 1.070 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.571 14.715 -0.416 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.586 13.086 -1.061 1.00 0.23 H new ATOM 1526 N SER B 139 -0.803 15.662 0.797 1.00 0.20 N ATOM 1527 CA SER B 139 -1.678 16.786 1.081 1.00 0.22 C ATOM 1528 C SER B 139 -3.144 16.378 0.980 1.00 0.19 C ATOM 1529 O SER B 139 -3.950 16.699 1.854 1.00 0.19 O ATOM 1530 CB SER B 139 -1.383 17.926 0.108 1.00 0.28 C ATOM 1531 OG SER B 139 -1.461 17.485 -1.237 1.00 1.15 O ATOM 0 H SER B 139 -0.287 15.742 -0.079 1.00 0.20 H new ATOM 0 HA SER B 139 -1.490 17.121 2.101 1.00 0.22 H new ATOM 0 HB2 SER B 139 -2.092 18.738 0.269 1.00 0.28 H new ATOM 0 HB3 SER B 139 -0.389 18.328 0.305 1.00 0.28 H new ATOM 0 HG SER B 139 -1.270 18.235 -1.839 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.481 15.663 -0.088 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.852 15.210 -0.306 1.00 0.17 C ATOM 1539 C GLN B 140 -5.081 13.843 0.319 1.00 0.15 C ATOM 1540 O GLN B 140 -5.963 13.105 -0.105 1.00 0.14 O ATOM 1541 CB GLN B 140 -5.160 15.133 -1.798 1.00 0.21 C ATOM 1542 CG GLN B 140 -5.067 16.465 -2.518 1.00 0.26 C ATOM 1543 CD GLN B 140 -6.002 17.512 -1.945 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -7.080 17.191 -1.444 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.590 18.772 -2.013 1.00 1.37 N ATOM 0 H GLN B 140 -2.824 15.384 -0.817 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.516 15.934 0.167 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.470 14.431 -2.265 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -6.164 14.729 -1.931 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -4.042 16.831 -2.463 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -5.297 16.319 -3.573 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.689 18.992 -2.437 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.175 19.521 -1.641 1.00 1.37 H new ATOM 1554 N SER B 141 -4.283 13.517 1.323 1.00 0.15 N ATOM 1555 CA SER B 141 -4.382 12.229 2.006 1.00 0.13 C ATOM 1556 C SER B 141 -5.827 11.874 2.349 1.00 0.13 C ATOM 1557 O SER B 141 -6.357 10.872 1.869 1.00 0.18 O ATOM 1558 CB SER B 141 -3.541 12.245 3.284 1.00 0.15 C ATOM 1559 OG SER B 141 -3.671 11.026 3.995 1.00 1.01 O ATOM 0 H SER B 141 -3.553 14.129 1.688 1.00 0.15 H new ATOM 0 HA SER B 141 -4.003 11.469 1.323 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.494 12.413 3.032 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.853 13.075 3.918 1.00 0.15 H new ATOM 0 HG SER B 141 -3.123 11.061 4.807 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.454 12.696 3.181 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.831 12.459 3.597 1.00 0.17 C ATOM 1567 C ALA B 142 -8.781 12.406 2.404 1.00 0.17 C ATOM 1568 O ALA B 142 -9.810 11.732 2.453 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.276 13.535 4.575 1.00 0.20 C ATOM 0 H ALA B 142 -6.031 13.533 3.581 1.00 0.16 H new ATOM 0 HA ALA B 142 -7.865 11.487 4.090 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.306 13.347 4.879 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.630 13.518 5.453 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.211 14.512 4.096 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.432 13.113 1.334 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.269 13.146 0.143 1.00 0.18 C ATOM 1577 C ASN B 143 -9.034 11.916 -0.725 1.00 0.16 C ATOM 1578 O ASN B 143 -9.926 11.480 -1.444 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.998 14.414 -0.665 1.00 0.20 C ATOM 1580 CG ASN B 143 -9.213 15.673 0.151 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -8.166 16.121 0.837 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -10.306 16.238 0.168 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.579 13.668 1.268 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.310 13.146 0.465 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.973 14.394 -1.035 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.651 14.433 -1.537 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -11.084 15.861 -0.373 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.434 17.084 0.723 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.825 11.372 -0.640 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.431 10.196 -1.407 1.00 0.12 C ATOM 1591 C LEU B 144 -8.000 8.931 -0.782 1.00 0.11 C ATOM 1592 O LEU B 144 -8.281 7.952 -1.473 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.907 10.130 -1.464 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.254 11.217 -2.319 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.770 11.318 -2.014 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.479 10.936 -3.793 1.00 0.14 C ATOM 0 H LEU B 144 -7.088 11.735 -0.035 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.829 10.273 -2.419 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.515 10.200 -0.449 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.613 9.155 -1.853 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.717 12.173 -2.075 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.324 12.097 -2.632 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.631 11.566 -0.962 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.289 10.364 -2.229 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -5.008 11.718 -4.389 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -5.042 9.971 -4.050 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.549 10.916 -4.000 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.156 8.965 0.530 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.725 7.847 1.266 1.00 0.11 C ATOM 1610 C LEU B 145 -10.230 7.919 1.119 1.00 0.12 C ATOM 1611 O LEU B 145 -10.907 6.906 0.953 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.307 7.896 2.740 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.271 7.233 3.734 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.429 5.750 3.436 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.780 7.433 5.160 1.00 0.16 C ATOM 0 H LEU B 145 -7.895 9.761 1.112 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.357 6.902 0.867 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.332 7.419 2.837 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.181 8.940 3.027 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.246 7.707 3.626 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -10.117 5.306 4.155 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.824 5.621 2.428 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.459 5.259 3.511 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.474 6.958 5.854 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.792 6.986 5.271 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.722 8.499 5.379 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.739 9.143 1.180 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.155 9.391 0.992 1.00 0.17 C ATOM 1629 C ALA B 146 -12.512 8.941 -0.406 1.00 0.16 C ATOM 1630 O ALA B 146 -13.566 8.363 -0.654 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.465 10.874 1.160 1.00 0.20 C ATOM 0 H ALA B 146 -10.185 9.981 1.359 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.737 8.845 1.734 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.532 11.041 1.015 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.180 11.194 2.162 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.905 11.449 0.423 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.572 9.202 -1.305 1.00 0.18 N ATOM 1638 CA GLU B 147 -11.665 8.861 -2.687 1.00 0.19 C ATOM 1639 C GLU B 147 -11.742 7.360 -2.862 1.00 0.16 C ATOM 1640 O GLU B 147 -12.678 6.829 -3.459 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.398 9.401 -3.305 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.615 10.587 -4.203 1.00 0.18 C ATOM 1643 CD GLU B 147 -10.699 10.215 -5.670 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.770 9.741 -6.102 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -9.693 10.402 -6.387 1.00 0.57 O ATOM 0 H GLU B 147 -10.700 9.674 -1.066 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.560 9.275 -3.152 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.708 9.682 -2.509 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -9.918 8.607 -3.877 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.534 11.094 -3.910 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.800 11.297 -4.060 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.728 6.692 -2.340 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.648 5.246 -2.396 1.00 0.12 C ATOM 1654 C ALA B 148 -11.950 4.627 -1.913 1.00 0.14 C ATOM 1655 O ALA B 148 -12.525 3.764 -2.575 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.482 4.768 -1.549 1.00 0.11 C ATOM 0 H ALA B 148 -9.941 7.136 -1.868 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.486 4.935 -3.428 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.423 3.680 -1.592 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.555 5.197 -1.930 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.630 5.083 -0.516 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.406 5.076 -0.750 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.646 4.594 -0.172 1.00 0.17 C ATOM 1664 C LYS B 149 -14.827 4.854 -1.105 1.00 0.17 C ATOM 1665 O LYS B 149 -15.787 4.085 -1.125 1.00 0.22 O ATOM 1666 CB LYS B 149 -13.867 5.251 1.188 1.00 0.24 C ATOM 1667 CG LYS B 149 -12.848 4.806 2.221 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.255 5.201 3.631 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.943 6.661 3.913 1.00 0.59 C ATOM 1670 NZ LYS B 149 -13.941 7.575 3.295 1.00 1.01 N ATOM 0 H LYS B 149 -11.928 5.780 -0.187 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.573 3.515 -0.035 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.818 6.334 1.077 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -14.869 5.012 1.545 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -12.728 3.724 2.168 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -11.879 5.246 1.987 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -14.322 5.023 3.766 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -12.733 4.571 4.351 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.920 6.825 4.990 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.950 6.899 3.533 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -13.870 8.515 3.735 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -13.754 7.655 2.275 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -14.898 7.195 3.443 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.759 5.938 -1.880 1.00 0.17 N ATOM 1685 CA LYS B 150 -15.827 6.253 -2.823 1.00 0.20 C ATOM 1686 C LYS B 150 -15.877 5.183 -3.899 1.00 0.21 C ATOM 1687 O LYS B 150 -16.948 4.800 -4.367 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.616 7.623 -3.477 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.783 8.799 -2.528 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.322 10.028 -3.246 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.759 9.828 -3.704 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.672 9.544 -2.563 1.00 1.99 N ATOM 0 H LYS B 150 -13.986 6.603 -1.873 1.00 0.17 H new ATOM 0 HA LYS B 150 -16.768 6.283 -2.273 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -14.615 7.657 -3.908 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.321 7.732 -4.301 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.461 8.522 -1.721 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -14.823 9.037 -2.070 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.269 10.890 -2.581 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.693 10.251 -4.108 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -18.100 10.721 -4.228 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -17.801 9.004 -4.416 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -19.656 9.714 -2.855 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -18.564 8.552 -2.271 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -18.435 10.168 -1.765 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.698 4.707 -4.282 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.577 3.671 -5.298 1.00 0.16 C ATOM 1708 C LEU B 151 -15.056 2.332 -4.749 1.00 0.15 C ATOM 1709 O LEU B 151 -15.824 1.618 -5.394 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.121 3.564 -5.763 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.865 2.560 -6.889 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.795 2.820 -8.061 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.411 2.624 -7.335 1.00 0.18 C ATOM 0 H LEU B 151 -13.807 5.025 -3.901 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.202 3.938 -6.150 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.790 4.548 -6.094 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.503 3.291 -4.908 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.067 1.558 -6.510 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.597 2.095 -8.851 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.830 2.724 -7.732 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.627 3.827 -8.442 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.244 1.904 -8.136 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.185 3.627 -7.696 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.761 2.386 -6.493 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.584 2.002 -3.554 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.961 0.760 -2.888 1.00 0.14 C ATOM 1727 C ASN B 152 -16.475 0.645 -2.755 1.00 0.17 C ATOM 1728 O ASN B 152 -17.073 -0.322 -3.220 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.313 0.689 -1.505 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.846 -0.464 -0.679 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -14.236 -1.632 -0.830 1.00 1.39 O flip ATOM 1732 ND2 ASN B 152 -15.799 -0.307 0.086 1.00 0.69 N flip ATOM 0 H ASN B 152 -13.935 2.581 -3.022 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.607 -0.071 -3.498 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.234 0.585 -1.617 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.490 1.625 -0.975 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -16.239 0.609 0.171 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -16.148 -1.093 0.634 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.085 1.637 -2.115 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.531 1.647 -1.920 1.00 0.23 C ATOM 1741 C ASP B 153 -19.266 1.716 -3.256 1.00 0.25 C ATOM 1742 O ASP B 153 -20.439 1.354 -3.348 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.943 2.826 -1.037 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.382 2.724 0.368 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -18.775 1.790 1.099 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -17.552 3.580 0.741 1.00 2.25 O ATOM 0 H ASP B 153 -16.601 2.444 -1.722 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.807 0.717 -1.424 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.602 3.755 -1.494 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -20.031 2.876 -0.988 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.571 2.186 -4.289 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.164 2.297 -5.616 1.00 0.28 C ATOM 1753 C ALA B 154 -19.460 0.919 -6.197 1.00 0.30 C ATOM 1754 O ALA B 154 -20.538 0.682 -6.742 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.245 3.078 -6.545 1.00 0.28 C ATOM 0 H ALA B 154 -17.600 2.495 -4.232 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.107 2.836 -5.522 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.702 3.152 -7.532 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.086 4.079 -6.143 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.288 2.564 -6.627 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.495 0.012 -6.076 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.652 -1.345 -6.587 1.00 0.35 C ATOM 1763 C GLN B 155 -19.285 -2.250 -5.533 1.00 0.36 C ATOM 1764 O GLN B 155 -19.936 -3.241 -5.862 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.296 -1.909 -7.016 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.559 -1.028 -8.012 1.00 0.36 C ATOM 1767 CD GLN B 155 -15.225 -1.613 -8.433 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -15.140 -2.349 -9.416 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -14.175 -1.289 -7.688 1.00 0.39 N ATOM 0 H GLN B 155 -17.596 0.193 -5.629 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.312 -1.310 -7.454 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.672 -2.045 -6.132 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.445 -2.895 -7.456 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -17.183 -0.883 -8.894 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.397 -0.044 -7.571 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.292 -0.675 -6.882 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.252 -1.654 -7.922 1.00 0.39 H new