USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=19 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 123 ASN : amide:sc= -2.8 K(o=-7.4,f=-14!) USER MOD Set 1.2: B 126 GLN : amide:sc= -4.25! C(o=-7.4!,f=-12!) USER MOD Set 1.3: B 155 GLN : amide:sc= -0.354 X(o=-7.4,f=-7.2) USER MOD Set 2.1: B 121 ASN : amide:sc= -0.0028 X(o=-5.6,f=-5.6) USER MOD Set 2.2: B 152 ASN : amide:sc= -5.63! C(o=-5.6!,f=-15!) USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.04) USER MOD Set 4.1: A 26 GLN : amide:sc= -3.26! C(o=-4.3!,f=-8.7!) USER MOD Set 4.2: A 55 GLN : amide:sc= -1.01 K(o=-4.3,f=-8.7) USER MOD Set 5.1: A 18 HIS : no HD1:sc= -0.122 K(o=-0.57,f=-2.8) USER MOD Set 5.2: B 110 GLN :FLIP amide:sc= -0.453 F(o=-1.2,f=-0.57) USER MOD Single : A 6 ASN : amide:sc= 0.53 K(o=0.53,f=-0.035) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.9!) USER MOD Single : A 10 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.8!) USER MOD Single : A 11 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.5) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 21 ASN : amide:sc= -0.708 X(o=-0.71,f=-0.88) USER MOD Single : A 23 ASN : amide:sc= -1.64 K(o=-1.6,f=-16!) USER MOD Single : A 28 ASN :FLIP amide:sc= -7.41! C(o=-9.2!,f=-7.4!) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.24! C(o=-3.8!,f=-2.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0933) USER MOD Single : A 41 SER OG : rot -92:sc= 0.69 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.025 (180deg=-0.26) USER MOD Single : A 52 ASN : amide:sc= -2.08 K(o=-2.1,f=-13!) USER MOD Single : B 109 THR OG1 : rot 29:sc= -0.14 USER MOD Single : B 113 SER OG : rot 77:sc= 0.895 USER MOD Single : B 118 THR OG1 : rot -13:sc= 0.951 USER MOD Single : B 132 SER OG : rot 15:sc= 0.0451 USER MOD Single : B 133 SER OG : rot -6:sc= -0.194 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.2) USER MOD Single : B 141 SER OG : rot 180:sc= -1.28! USER MOD Single : B 143 ASN :FLIP amide:sc=-0.00384 F(o=-1.8!,f=-0.0038) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ -112:sc= 1.14 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 87 N ASN A 6 -4.743 -9.787 7.804 1.00 0.35 N ATOM 88 CA ASN A 6 -4.246 -10.171 9.117 1.00 0.37 C ATOM 89 C ASN A 6 -3.121 -9.246 9.577 1.00 0.37 C ATOM 90 O ASN A 6 -2.833 -8.238 8.934 1.00 0.36 O ATOM 91 CB ASN A 6 -3.756 -11.618 9.088 1.00 0.36 C ATOM 92 CG ASN A 6 -4.893 -12.622 9.115 1.00 0.97 C ATOM 93 OD1 ASN A 6 -4.758 -13.713 9.671 1.00 1.73 O ATOM 94 ND2 ASN A 6 -6.021 -12.264 8.510 1.00 1.69 N ATOM 0 HA ASN A 6 -5.067 -10.082 9.828 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -3.158 -11.777 8.191 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -3.102 -11.793 9.942 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -6.816 -12.903 8.495 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -6.091 -11.351 8.061 1.00 1.69 H new ATOM 101 N LYS A 7 -2.489 -9.599 10.694 1.00 0.40 N ATOM 102 CA LYS A 7 -1.401 -8.798 11.244 1.00 0.43 C ATOM 103 C LYS A 7 -0.214 -8.752 10.287 1.00 0.40 C ATOM 104 O LYS A 7 0.270 -7.676 9.939 1.00 0.38 O ATOM 105 CB LYS A 7 -0.959 -9.356 12.601 1.00 0.52 C ATOM 106 CG LYS A 7 0.180 -8.578 13.246 1.00 0.58 C ATOM 107 CD LYS A 7 -0.211 -7.134 13.531 1.00 0.60 C ATOM 108 CE LYS A 7 -1.241 -7.040 14.645 1.00 1.39 C ATOM 109 NZ LYS A 7 -1.683 -5.637 14.877 1.00 1.90 N ATOM 0 H LYS A 7 -2.712 -10.434 11.235 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.770 -7.782 11.381 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.813 -9.358 13.278 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.651 -10.394 12.473 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.472 -9.066 14.176 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.050 -8.596 12.590 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.676 -6.564 13.807 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.612 -6.680 12.625 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -2.105 -7.656 14.394 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -0.818 -7.444 15.565 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -2.385 -5.617 15.644 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.863 -5.054 15.142 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 -2.110 -5.259 14.007 1.00 1.90 H new ATOM 123 N GLU A 8 0.252 -9.925 9.866 1.00 0.43 N ATOM 124 CA GLU A 8 1.383 -10.011 8.947 1.00 0.43 C ATOM 125 C GLU A 8 1.086 -9.258 7.656 1.00 0.37 C ATOM 126 O GLU A 8 1.998 -8.796 6.970 1.00 0.39 O ATOM 127 CB GLU A 8 1.713 -11.472 8.637 1.00 0.47 C ATOM 128 CG GLU A 8 2.086 -12.284 9.866 1.00 0.52 C ATOM 129 CD GLU A 8 2.496 -13.703 9.523 1.00 1.03 C ATOM 130 OE1 GLU A 8 1.600 -14.560 9.368 1.00 0.95 O ATOM 131 OE2 GLU A 8 3.713 -13.958 9.410 1.00 1.80 O ATOM 0 H GLU A 8 -0.135 -10.826 10.146 1.00 0.43 H new ATOM 0 HA GLU A 8 2.246 -9.551 9.428 1.00 0.43 H new ATOM 0 HB2 GLU A 8 0.853 -11.935 8.153 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.537 -11.507 7.925 1.00 0.47 H new ATOM 0 HG2 GLU A 8 2.904 -11.789 10.389 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.239 -12.310 10.551 1.00 0.52 H new ATOM 138 N GLN A 9 -0.197 -9.139 7.329 1.00 0.34 N ATOM 139 CA GLN A 9 -0.617 -8.432 6.126 1.00 0.33 C ATOM 140 C GLN A 9 -0.492 -6.927 6.332 1.00 0.30 C ATOM 141 O GLN A 9 -0.232 -6.176 5.392 1.00 0.32 O ATOM 142 CB GLN A 9 -2.058 -8.802 5.770 1.00 0.36 C ATOM 143 CG GLN A 9 -2.201 -9.439 4.398 1.00 0.38 C ATOM 144 CD GLN A 9 -2.192 -8.421 3.276 1.00 0.73 C ATOM 145 OE1 GLN A 9 -1.569 -7.366 3.381 1.00 1.44 O ATOM 146 NE2 GLN A 9 -2.891 -8.737 2.192 1.00 0.50 N ATOM 0 H GLN A 9 -0.964 -9.524 7.881 1.00 0.34 H new ATOM 0 HA GLN A 9 0.031 -8.727 5.301 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.444 -9.489 6.523 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.675 -7.905 5.811 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.388 -10.149 4.245 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -3.131 -10.006 4.361 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.393 -9.624 2.149 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -2.926 -8.093 1.402 1.00 0.50 H new ATOM 155 N GLN A 10 -0.680 -6.499 7.576 1.00 0.27 N ATOM 156 CA GLN A 10 -0.580 -5.090 7.932 1.00 0.25 C ATOM 157 C GLN A 10 0.882 -4.663 7.955 1.00 0.23 C ATOM 158 O GLN A 10 1.264 -3.673 7.332 1.00 0.26 O ATOM 159 CB GLN A 10 -1.212 -4.849 9.305 1.00 0.26 C ATOM 160 CG GLN A 10 -1.717 -3.430 9.511 1.00 0.26 C ATOM 161 CD GLN A 10 -1.548 -2.953 10.941 1.00 0.64 C ATOM 162 OE1 GLN A 10 -0.627 -3.369 11.643 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.441 -2.073 11.378 1.00 0.89 N ATOM 0 H GLN A 10 -0.904 -7.113 8.359 1.00 0.27 H new ATOM 0 HA GLN A 10 -1.113 -4.499 7.187 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.042 -5.542 9.438 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.478 -5.078 10.077 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -1.181 -2.757 8.842 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.771 -3.380 9.237 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.188 -1.756 10.761 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -2.380 -1.714 12.331 1.00 0.89 H new ATOM 172 N ASN A 11 1.690 -5.430 8.679 1.00 0.24 N ATOM 173 CA ASN A 11 3.117 -5.157 8.795 1.00 0.23 C ATOM 174 C ASN A 11 3.780 -5.147 7.422 1.00 0.21 C ATOM 175 O ASN A 11 4.589 -4.271 7.121 1.00 0.22 O ATOM 176 CB ASN A 11 3.780 -6.211 9.684 1.00 0.27 C ATOM 177 CG ASN A 11 3.118 -6.321 11.046 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.600 -5.341 11.578 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.130 -7.523 11.612 1.00 0.82 N ATOM 0 H ASN A 11 1.378 -6.251 9.197 1.00 0.24 H new ATOM 0 HA ASN A 11 3.242 -4.173 9.247 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.741 -7.179 9.185 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.833 -5.962 9.814 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.697 -7.661 12.525 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.572 -8.308 11.133 1.00 0.82 H new ATOM 186 N ALA A 12 3.432 -6.129 6.594 1.00 0.19 N ATOM 187 CA ALA A 12 3.989 -6.237 5.248 1.00 0.18 C ATOM 188 C ALA A 12 3.734 -4.970 4.442 1.00 0.15 C ATOM 189 O ALA A 12 4.642 -4.428 3.810 1.00 0.20 O ATOM 190 CB ALA A 12 3.399 -7.443 4.532 1.00 0.22 C ATOM 0 H ALA A 12 2.765 -6.863 6.832 1.00 0.19 H new ATOM 0 HA ALA A 12 5.067 -6.367 5.338 1.00 0.18 H new ATOM 0 HB1 ALA A 12 3.821 -7.514 3.530 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.635 -8.349 5.090 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.317 -7.332 4.463 1.00 0.22 H new ATOM 196 N PHE A 13 2.489 -4.508 4.468 1.00 0.13 N ATOM 197 CA PHE A 13 2.094 -3.306 3.744 1.00 0.11 C ATOM 198 C PHE A 13 2.983 -2.118 4.112 1.00 0.11 C ATOM 199 O PHE A 13 3.513 -1.436 3.237 1.00 0.15 O ATOM 200 CB PHE A 13 0.626 -2.987 4.048 1.00 0.14 C ATOM 201 CG PHE A 13 0.149 -1.670 3.500 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.364 -1.585 2.215 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.222 -0.517 4.266 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.794 -0.376 1.705 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.207 0.695 3.761 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.747 0.762 2.499 1.00 0.11 C ATOM 0 H PHE A 13 1.731 -4.952 4.987 1.00 0.13 H new ATOM 0 HA PHE A 13 2.214 -3.489 2.676 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.002 -3.783 3.641 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.483 -2.990 5.129 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.428 -2.474 1.606 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.619 -0.567 5.269 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.165 -0.316 0.693 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.118 1.590 4.358 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.134 1.698 2.125 1.00 0.11 H new ATOM 216 N TYR A 14 3.148 -1.884 5.410 1.00 0.11 N ATOM 217 CA TYR A 14 3.961 -0.769 5.888 1.00 0.13 C ATOM 218 C TYR A 14 5.437 -0.952 5.541 1.00 0.13 C ATOM 219 O TYR A 14 6.084 -0.022 5.067 1.00 0.17 O ATOM 220 CB TYR A 14 3.796 -0.600 7.398 1.00 0.16 C ATOM 221 CG TYR A 14 2.401 -0.184 7.809 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.836 0.992 7.329 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.650 -0.964 8.678 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.562 1.375 7.703 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.375 -0.587 9.055 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.163 0.583 8.565 1.00 0.33 C ATOM 227 OH TYR A 14 -1.430 0.963 8.943 1.00 0.42 O ATOM 0 H TYR A 14 2.731 -2.450 6.149 1.00 0.11 H new ATOM 0 HA TYR A 14 3.610 0.131 5.383 1.00 0.13 H new ATOM 0 HB2 TYR A 14 4.046 -1.540 7.890 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.508 0.145 7.752 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.402 1.616 6.653 1.00 0.24 H new ATOM 0 HD2 TYR A 14 2.069 -1.881 9.066 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.137 2.291 7.321 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.197 -1.206 9.730 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.804 0.293 9.553 1.00 0.42 H new ATOM 237 N GLU A 15 5.966 -2.148 5.781 1.00 0.11 N ATOM 238 CA GLU A 15 7.369 -2.434 5.491 1.00 0.12 C ATOM 239 C GLU A 15 7.697 -2.145 4.029 1.00 0.12 C ATOM 240 O GLU A 15 8.844 -1.860 3.685 1.00 0.19 O ATOM 241 CB GLU A 15 7.702 -3.889 5.826 1.00 0.13 C ATOM 242 CG GLU A 15 7.702 -4.188 7.316 1.00 0.19 C ATOM 243 CD GLU A 15 8.085 -5.624 7.621 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.294 -5.896 7.770 1.00 1.08 O ATOM 245 OE2 GLU A 15 7.175 -6.475 7.710 1.00 2.16 O ATOM 0 H GLU A 15 5.447 -2.933 6.174 1.00 0.11 H new ATOM 0 HA GLU A 15 7.978 -1.780 6.115 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.980 -4.540 5.334 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.682 -4.132 5.416 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.398 -3.516 7.818 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.712 -3.985 7.724 1.00 0.19 H new ATOM 252 N ILE A 16 6.683 -2.225 3.174 1.00 0.10 N ATOM 253 CA ILE A 16 6.859 -1.966 1.750 1.00 0.09 C ATOM 254 C ILE A 16 6.879 -0.465 1.468 1.00 0.12 C ATOM 255 O ILE A 16 7.604 0.002 0.588 1.00 0.16 O ATOM 256 CB ILE A 16 5.745 -2.641 0.922 1.00 0.10 C ATOM 257 CG1 ILE A 16 5.921 -4.161 0.955 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.748 -2.130 -0.514 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.762 -4.924 0.352 1.00 0.14 C ATOM 0 H ILE A 16 5.729 -2.468 3.443 1.00 0.10 H new ATOM 0 HA ILE A 16 7.818 -2.391 1.454 1.00 0.09 H new ATOM 0 HB ILE A 16 4.781 -2.388 1.363 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.834 -4.423 0.420 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.055 -4.479 1.989 1.00 0.12 H new ATOM 0 HG21 ILE A 16 4.954 -2.621 -1.077 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.582 -1.053 -0.517 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.710 -2.350 -0.977 1.00 0.12 H new ATOM 0 HD11 ILE A 16 4.960 -5.994 0.412 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.849 -4.693 0.901 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.640 -4.636 -0.692 1.00 0.14 H new ATOM 271 N LEU A 17 6.078 0.283 2.220 1.00 0.14 N ATOM 272 CA LEU A 17 6.007 1.731 2.057 1.00 0.19 C ATOM 273 C LEU A 17 7.230 2.410 2.670 1.00 0.18 C ATOM 274 O LEU A 17 7.705 3.428 2.167 1.00 0.26 O ATOM 275 CB LEU A 17 4.736 2.278 2.705 1.00 0.27 C ATOM 276 CG LEU A 17 3.521 2.353 1.783 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.814 1.009 1.716 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.569 3.440 2.251 1.00 0.77 C ATOM 0 H LEU A 17 5.469 -0.090 2.948 1.00 0.14 H new ATOM 0 HA LEU A 17 5.987 1.947 0.989 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.485 1.652 3.562 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.943 3.277 3.090 1.00 0.27 H new ATOM 0 HG LEU A 17 3.864 2.605 0.779 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.951 1.084 1.054 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.501 0.255 1.332 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.482 0.723 2.714 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.708 3.481 1.584 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.233 3.218 3.264 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.082 4.402 2.241 1.00 0.77 H new ATOM 290 N HIS A 18 7.739 1.831 3.754 1.00 0.16 N ATOM 291 CA HIS A 18 8.900 2.378 4.450 1.00 0.16 C ATOM 292 C HIS A 18 10.132 2.401 3.549 1.00 0.13 C ATOM 293 O HIS A 18 11.016 3.241 3.719 1.00 0.15 O ATOM 294 CB HIS A 18 9.196 1.560 5.710 1.00 0.17 C ATOM 295 CG HIS A 18 8.277 1.862 6.854 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.647 1.708 8.175 1.00 0.58 N ATOM 297 CD2 HIS A 18 6.998 2.309 6.874 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.636 2.047 8.955 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.625 2.415 8.191 1.00 0.33 N ATOM 0 H HIS A 18 7.364 0.979 4.171 1.00 0.16 H new ATOM 0 HA HIS A 18 8.664 3.405 4.730 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.125 0.499 5.469 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.223 1.748 6.022 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.386 2.539 6.014 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.637 2.026 10.035 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.713 2.728 8.525 1.00 0.33 H new ATOM 308 N LEU A 19 10.183 1.477 2.595 1.00 0.14 N ATOM 309 CA LEU A 19 11.309 1.392 1.671 1.00 0.14 C ATOM 310 C LEU A 19 11.558 2.742 0.992 1.00 0.16 C ATOM 311 O LEU A 19 10.752 3.190 0.177 1.00 0.18 O ATOM 312 CB LEU A 19 11.052 0.299 0.630 1.00 0.12 C ATOM 313 CG LEU A 19 10.884 -1.108 1.213 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.570 -2.112 0.116 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.137 -1.522 1.973 1.00 0.12 C ATOM 0 H LEU A 19 9.458 0.776 2.441 1.00 0.14 H new ATOM 0 HA LEU A 19 12.204 1.132 2.236 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.154 0.555 0.067 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.880 0.288 -0.079 1.00 0.12 H new ATOM 0 HG LEU A 19 10.046 -1.092 1.910 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.455 -3.104 0.553 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.645 -1.826 -0.385 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.385 -2.127 -0.608 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.001 -2.524 2.381 1.00 0.12 H new ATOM 0 HD22 LEU A 19 12.991 -1.519 1.296 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.317 -0.820 2.787 1.00 0.12 H new ATOM 327 N PRO A 20 12.686 3.407 1.321 1.00 0.18 N ATOM 328 CA PRO A 20 13.027 4.717 0.759 1.00 0.21 C ATOM 329 C PRO A 20 13.633 4.634 -0.638 1.00 0.21 C ATOM 330 O PRO A 20 13.221 5.357 -1.546 1.00 0.23 O ATOM 331 CB PRO A 20 14.055 5.250 1.754 1.00 0.24 C ATOM 332 CG PRO A 20 14.752 4.031 2.254 1.00 0.22 C ATOM 333 CD PRO A 20 13.721 2.931 2.264 1.00 0.19 C ATOM 0 HA PRO A 20 12.146 5.347 0.634 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.752 5.938 1.275 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.576 5.796 2.567 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.592 3.771 1.610 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.155 4.196 3.253 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.147 1.981 1.943 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.311 2.776 3.262 1.00 0.19 H new ATOM 341 N ASN A 21 14.611 3.751 -0.805 1.00 0.20 N ATOM 342 CA ASN A 21 15.279 3.585 -2.091 1.00 0.21 C ATOM 343 C ASN A 21 14.304 3.085 -3.150 1.00 0.20 C ATOM 344 O ASN A 21 14.523 3.275 -4.346 1.00 0.23 O ATOM 345 CB ASN A 21 16.450 2.612 -1.956 1.00 0.21 C ATOM 346 CG ASN A 21 17.455 3.060 -0.914 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.654 4.256 -0.700 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.092 2.098 -0.257 1.00 0.26 N ATOM 0 H ASN A 21 14.959 3.139 -0.067 1.00 0.20 H new ATOM 0 HA ASN A 21 15.658 4.557 -2.405 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.070 1.625 -1.690 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.949 2.513 -2.920 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.778 2.337 0.458 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.895 1.120 -0.468 1.00 0.26 H new ATOM 355 N LEU A 22 13.226 2.449 -2.704 1.00 0.18 N ATOM 356 CA LEU A 22 12.218 1.927 -3.617 1.00 0.17 C ATOM 357 C LEU A 22 11.348 3.063 -4.142 1.00 0.20 C ATOM 358 O LEU A 22 10.896 3.913 -3.377 1.00 0.26 O ATOM 359 CB LEU A 22 11.344 0.886 -2.915 1.00 0.17 C ATOM 360 CG LEU A 22 10.579 -0.054 -3.849 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.519 -1.085 -4.454 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.442 -0.740 -3.105 1.00 0.26 C ATOM 0 H LEU A 22 13.029 2.283 -1.717 1.00 0.18 H new ATOM 0 HA LEU A 22 12.727 1.449 -4.454 1.00 0.17 H new ATOM 0 HB2 LEU A 22 11.975 0.287 -2.259 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.626 1.405 -2.280 1.00 0.17 H new ATOM 0 HG LEU A 22 10.151 0.539 -4.657 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.958 -1.745 -5.115 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.298 -0.578 -5.023 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.976 -1.672 -3.658 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.910 -1.404 -3.786 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.847 -1.320 -2.276 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.753 0.012 -2.720 1.00 0.26 H new ATOM 374 N ASN A 23 11.118 3.072 -5.449 1.00 0.22 N ATOM 375 CA ASN A 23 10.304 4.113 -6.066 1.00 0.27 C ATOM 376 C ASN A 23 8.819 3.771 -5.974 1.00 0.24 C ATOM 377 O ASN A 23 8.437 2.806 -5.311 1.00 0.29 O ATOM 378 CB ASN A 23 10.713 4.325 -7.525 1.00 0.33 C ATOM 379 CG ASN A 23 10.790 3.026 -8.296 1.00 0.75 C ATOM 380 OD1 ASN A 23 10.069 2.078 -8.000 1.00 1.59 O ATOM 381 ND2 ASN A 23 11.669 2.975 -9.290 1.00 1.33 N ATOM 0 H ASN A 23 11.481 2.375 -6.099 1.00 0.22 H new ATOM 0 HA ASN A 23 10.475 5.041 -5.520 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.996 4.989 -8.008 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.682 4.823 -7.559 1.00 0.33 H new ATOM 0 HD21 ASN A 23 11.765 2.123 -9.843 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.248 3.788 -9.501 1.00 1.33 H new ATOM 388 N GLU A 24 7.987 4.562 -6.643 1.00 0.29 N ATOM 389 CA GLU A 24 6.544 4.348 -6.618 1.00 0.29 C ATOM 390 C GLU A 24 6.121 3.226 -7.564 1.00 0.24 C ATOM 391 O GLU A 24 5.229 2.443 -7.245 1.00 0.22 O ATOM 392 CB GLU A 24 5.812 5.640 -6.988 1.00 0.36 C ATOM 393 CG GLU A 24 6.171 6.820 -6.098 1.00 1.23 C ATOM 394 CD GLU A 24 5.451 8.093 -6.498 1.00 1.42 C ATOM 395 OE1 GLU A 24 4.284 8.269 -6.087 1.00 2.17 O ATOM 396 OE2 GLU A 24 6.053 8.914 -7.221 1.00 1.25 O ATOM 0 H GLU A 24 8.286 5.356 -7.209 1.00 0.29 H new ATOM 0 HA GLU A 24 6.274 4.052 -5.604 1.00 0.29 H new ATOM 0 HB2 GLU A 24 6.041 5.894 -8.023 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.737 5.467 -6.932 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.926 6.578 -5.064 1.00 1.23 H new ATOM 0 HG3 GLU A 24 7.247 6.987 -6.140 1.00 1.23 H new ATOM 403 N GLU A 25 6.763 3.146 -8.724 1.00 0.27 N ATOM 404 CA GLU A 25 6.423 2.125 -9.711 1.00 0.28 C ATOM 405 C GLU A 25 6.636 0.714 -9.164 1.00 0.24 C ATOM 406 O GLU A 25 5.797 -0.165 -9.359 1.00 0.30 O ATOM 407 CB GLU A 25 7.237 2.324 -10.988 1.00 0.36 C ATOM 408 CG GLU A 25 8.729 2.384 -10.744 1.00 0.91 C ATOM 409 CD GLU A 25 9.521 2.601 -12.017 1.00 1.60 C ATOM 410 OE1 GLU A 25 9.880 1.599 -12.672 1.00 2.00 O ATOM 411 OE2 GLU A 25 9.781 3.773 -12.362 1.00 2.20 O ATOM 0 H GLU A 25 7.518 3.772 -9.004 1.00 0.27 H new ATOM 0 HA GLU A 25 5.364 2.235 -9.943 1.00 0.28 H new ATOM 0 HB2 GLU A 25 7.021 1.509 -11.679 1.00 0.36 H new ATOM 0 HB3 GLU A 25 6.918 3.246 -11.474 1.00 0.36 H new ATOM 0 HG2 GLU A 25 8.946 3.190 -10.044 1.00 0.91 H new ATOM 0 HG3 GLU A 25 9.054 1.456 -10.273 1.00 0.91 H new ATOM 418 N GLN A 26 7.755 0.502 -8.479 1.00 0.18 N ATOM 419 CA GLN A 26 8.063 -0.807 -7.910 1.00 0.15 C ATOM 420 C GLN A 26 7.161 -1.099 -6.719 1.00 0.13 C ATOM 421 O GLN A 26 6.564 -2.172 -6.628 1.00 0.16 O ATOM 422 CB GLN A 26 9.534 -0.870 -7.494 1.00 0.15 C ATOM 423 CG GLN A 26 10.487 -0.725 -8.667 1.00 0.19 C ATOM 424 CD GLN A 26 11.934 -0.577 -8.239 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.230 -0.021 -7.183 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.847 -1.081 -9.062 1.00 1.59 N ATOM 0 H GLN A 26 8.462 1.216 -8.304 1.00 0.18 H new ATOM 0 HA GLN A 26 7.882 -1.566 -8.671 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.735 -0.081 -6.769 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.724 -1.819 -6.993 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.393 -1.597 -9.315 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.198 0.144 -9.258 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.558 -1.534 -9.929 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.837 -1.015 -8.827 1.00 1.59 H new ATOM 435 N ARG A 27 7.067 -0.134 -5.812 1.00 0.13 N ATOM 436 CA ARG A 27 6.229 -0.270 -4.625 1.00 0.13 C ATOM 437 C ARG A 27 4.810 -0.673 -5.008 1.00 0.14 C ATOM 438 O ARG A 27 4.252 -1.626 -4.462 1.00 0.23 O ATOM 439 CB ARG A 27 6.196 1.050 -3.855 1.00 0.14 C ATOM 440 CG ARG A 27 5.218 1.056 -2.692 1.00 0.18 C ATOM 441 CD ARG A 27 4.888 2.473 -2.253 1.00 0.41 C ATOM 442 NE ARG A 27 4.199 3.227 -3.296 1.00 1.59 N ATOM 443 CZ ARG A 27 4.557 4.449 -3.680 1.00 1.94 C ATOM 444 NH1 ARG A 27 5.609 5.041 -3.129 1.00 1.37 N ATOM 445 NH2 ARG A 27 3.867 5.078 -4.620 1.00 3.04 N ATOM 0 H ARG A 27 7.563 0.755 -5.876 1.00 0.13 H new ATOM 0 HA ARG A 27 6.655 -1.050 -3.993 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.196 1.265 -3.478 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.934 1.855 -4.542 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.302 0.541 -2.982 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.643 0.503 -1.854 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.264 2.439 -1.360 1.00 0.41 H new ATOM 0 HD3 ARG A 27 5.808 2.991 -1.980 1.00 0.41 H new ATOM 0 HE ARG A 27 3.399 2.793 -3.756 1.00 1.59 H new ATOM 0 HH11 ARG A 27 6.146 4.559 -2.408 1.00 1.37 H new ATOM 0 HH12 ARG A 27 5.880 5.978 -3.426 1.00 1.37 H new ATOM 0 HH21 ARG A 27 3.060 4.625 -5.050 1.00 3.04 H new ATOM 0 HH22 ARG A 27 4.142 6.015 -4.914 1.00 3.04 H new ATOM 459 N ASN A 28 4.237 0.065 -5.952 1.00 0.13 N ATOM 460 CA ASN A 28 2.881 -0.192 -6.420 1.00 0.15 C ATOM 461 C ASN A 28 2.731 -1.627 -6.906 1.00 0.15 C ATOM 462 O ASN A 28 1.710 -2.267 -6.665 1.00 0.21 O ATOM 463 CB ASN A 28 2.522 0.778 -7.547 1.00 0.19 C ATOM 464 CG ASN A 28 2.243 2.182 -7.046 1.00 0.20 C ATOM 465 OD1 ASN A 28 2.952 2.598 -6.001 1.00 0.26 O flip ATOM 466 ND2 ASN A 28 1.406 2.892 -7.601 1.00 0.19 N flip ATOM 0 H ASN A 28 4.695 0.852 -6.411 1.00 0.13 H new ATOM 0 HA ASN A 28 2.200 -0.041 -5.582 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.339 0.810 -8.267 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.645 0.405 -8.076 1.00 0.19 H new ATOM 0 HD21 ASN A 28 0.883 2.534 -8.400 1.00 0.19 H new ATOM 0 HD22 ASN A 28 1.235 3.839 -7.262 1.00 0.19 H new ATOM 473 N ALA A 29 3.753 -2.123 -7.594 1.00 0.12 N ATOM 474 CA ALA A 29 3.737 -3.485 -8.114 1.00 0.12 C ATOM 475 C ALA A 29 3.587 -4.500 -6.988 1.00 0.11 C ATOM 476 O ALA A 29 2.950 -5.540 -7.159 1.00 0.15 O ATOM 477 CB ALA A 29 5.001 -3.762 -8.910 1.00 0.15 C ATOM 0 H ALA A 29 4.604 -1.602 -7.805 1.00 0.12 H new ATOM 0 HA ALA A 29 2.876 -3.584 -8.775 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.974 -4.783 -9.292 1.00 0.15 H new ATOM 0 HB2 ALA A 29 5.066 -3.064 -9.745 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.871 -3.638 -8.265 1.00 0.15 H new ATOM 483 N PHE A 30 4.179 -4.194 -5.836 1.00 0.10 N ATOM 484 CA PHE A 30 4.103 -5.086 -4.685 1.00 0.10 C ATOM 485 C PHE A 30 2.736 -4.989 -4.019 1.00 0.12 C ATOM 486 O PHE A 30 2.117 -6.006 -3.709 1.00 0.18 O ATOM 487 CB PHE A 30 5.212 -4.764 -3.682 1.00 0.12 C ATOM 488 CG PHE A 30 6.585 -5.114 -4.183 1.00 0.12 C ATOM 489 CD1 PHE A 30 6.962 -6.438 -4.339 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.494 -4.119 -4.501 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.223 -6.764 -4.804 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.756 -4.438 -4.967 1.00 0.21 C ATOM 493 CZ PHE A 30 9.120 -5.761 -5.118 1.00 0.20 C ATOM 0 H PHE A 30 4.713 -3.340 -5.676 1.00 0.10 H new ATOM 0 HA PHE A 30 4.242 -6.109 -5.035 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.180 -3.701 -3.444 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.022 -5.305 -2.755 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.263 -7.224 -4.095 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.214 -3.083 -4.384 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.506 -7.800 -4.921 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.456 -3.653 -5.213 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.106 -6.012 -5.481 1.00 0.20 H new ATOM 503 N ILE A 31 2.269 -3.762 -3.803 1.00 0.10 N ATOM 504 CA ILE A 31 0.962 -3.541 -3.195 1.00 0.11 C ATOM 505 C ILE A 31 -0.125 -4.179 -4.057 1.00 0.11 C ATOM 506 O ILE A 31 -1.130 -4.677 -3.549 1.00 0.16 O ATOM 507 CB ILE A 31 0.670 -2.032 -3.020 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.630 -1.421 -1.993 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.779 -1.804 -2.601 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.483 0.078 -1.832 1.00 0.13 C ATOM 0 H ILE A 31 2.775 -2.909 -4.039 1.00 0.10 H new ATOM 0 HA ILE A 31 0.967 -4.003 -2.208 1.00 0.11 H new ATOM 0 HB ILE A 31 0.826 -1.539 -3.980 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.465 -1.898 -1.027 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.655 -1.646 -2.289 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.960 -0.736 -2.484 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.446 -2.204 -3.365 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.968 -2.310 -1.654 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.196 0.436 -1.089 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.678 0.567 -2.786 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.470 0.311 -1.505 1.00 0.13 H new ATOM 522 N GLN A 32 0.099 -4.157 -5.366 1.00 0.08 N ATOM 523 CA GLN A 32 -0.831 -4.730 -6.328 1.00 0.09 C ATOM 524 C GLN A 32 -0.968 -6.239 -6.137 1.00 0.11 C ATOM 525 O GLN A 32 -2.078 -6.769 -6.073 1.00 0.19 O ATOM 526 CB GLN A 32 -0.340 -4.428 -7.745 1.00 0.11 C ATOM 527 CG GLN A 32 -1.458 -4.268 -8.755 1.00 0.15 C ATOM 528 CD GLN A 32 -0.949 -3.877 -10.129 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.650 -4.317 -11.167 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 0.066 -3.192 -10.257 1.00 1.04 N flip ATOM 0 H GLN A 32 0.929 -3.742 -5.788 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.812 -4.282 -6.170 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.255 -3.515 -7.727 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.320 -5.232 -8.071 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.012 -5.203 -8.829 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.157 -3.510 -8.401 1.00 0.15 H new ATOM 0 HE21 GLN A 32 0.575 -2.875 -9.432 1.00 1.04 H new ATOM 0 HE22 GLN A 32 0.398 -2.942 -11.188 1.00 1.04 H new ATOM 539 N SER A 33 0.167 -6.925 -6.048 1.00 0.09 N ATOM 540 CA SER A 33 0.178 -8.375 -5.879 1.00 0.11 C ATOM 541 C SER A 33 -0.131 -8.777 -4.438 1.00 0.10 C ATOM 542 O SER A 33 -0.519 -9.914 -4.176 1.00 0.15 O ATOM 543 CB SER A 33 1.534 -8.943 -6.299 1.00 0.13 C ATOM 544 OG SER A 33 1.808 -8.657 -7.661 1.00 1.19 O ATOM 0 H SER A 33 1.093 -6.500 -6.090 1.00 0.09 H new ATOM 0 HA SER A 33 -0.603 -8.789 -6.517 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.319 -8.521 -5.671 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.545 -10.022 -6.141 1.00 0.13 H new ATOM 0 HG SER A 33 2.681 -9.029 -7.904 1.00 1.19 H new ATOM 550 N LEU A 34 0.045 -7.844 -3.508 1.00 0.10 N ATOM 551 CA LEU A 34 -0.220 -8.116 -2.098 1.00 0.11 C ATOM 552 C LEU A 34 -1.720 -8.199 -1.846 1.00 0.13 C ATOM 553 O LEU A 34 -2.178 -8.922 -0.961 1.00 0.18 O ATOM 554 CB LEU A 34 0.388 -7.016 -1.220 1.00 0.10 C ATOM 555 CG LEU A 34 1.005 -7.484 0.103 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.487 -6.289 0.909 1.00 0.16 C ATOM 557 CD2 LEU A 34 0.013 -8.305 0.915 1.00 0.17 C ATOM 0 H LEU A 34 0.369 -6.897 -3.703 1.00 0.10 H new ATOM 0 HA LEU A 34 0.238 -9.072 -1.842 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.157 -6.501 -1.796 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.388 -6.284 -0.998 1.00 0.10 H new ATOM 0 HG LEU A 34 1.857 -8.123 -0.129 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.923 -6.634 1.846 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.239 -5.744 0.338 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.645 -5.630 1.122 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.480 -8.622 1.847 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.865 -7.699 1.137 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.287 -9.183 0.343 1.00 0.17 H new ATOM 569 N LYS A 35 -2.478 -7.454 -2.638 1.00 0.15 N ATOM 570 CA LYS A 35 -3.927 -7.419 -2.505 1.00 0.19 C ATOM 571 C LYS A 35 -4.578 -8.626 -3.179 1.00 0.22 C ATOM 572 O LYS A 35 -5.468 -9.259 -2.610 1.00 0.31 O ATOM 573 CB LYS A 35 -4.465 -6.126 -3.115 1.00 0.23 C ATOM 574 CG LYS A 35 -5.928 -5.863 -2.807 1.00 0.23 C ATOM 575 CD LYS A 35 -6.140 -5.588 -1.328 1.00 0.24 C ATOM 576 CE LYS A 35 -7.587 -5.241 -1.026 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.496 -6.398 -1.255 1.00 0.46 N ATOM 0 H LYS A 35 -2.111 -6.863 -3.383 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.174 -7.456 -1.444 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.871 -5.289 -2.750 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.332 -6.163 -4.196 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.277 -5.012 -3.391 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.526 -6.723 -3.108 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -5.847 -6.464 -0.749 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.495 -4.767 -1.014 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.673 -4.912 0.010 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.898 -4.405 -1.653 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.282 -6.362 -0.575 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.874 -6.356 -2.223 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -7.968 -7.285 -1.128 1.00 0.46 H new ATOM 591 N ASP A 36 -4.131 -8.938 -4.391 1.00 0.23 N ATOM 592 CA ASP A 36 -4.678 -10.064 -5.142 1.00 0.28 C ATOM 593 C ASP A 36 -4.077 -11.388 -4.677 1.00 0.25 C ATOM 594 O ASP A 36 -4.685 -12.447 -4.842 1.00 0.33 O ATOM 595 CB ASP A 36 -4.424 -9.875 -6.639 1.00 0.34 C ATOM 596 CG ASP A 36 -5.134 -8.657 -7.195 1.00 1.07 C ATOM 597 OD1 ASP A 36 -6.332 -8.770 -7.534 1.00 0.96 O ATOM 598 OD2 ASP A 36 -4.494 -7.588 -7.293 1.00 2.07 O ATOM 0 H ASP A 36 -3.392 -8.428 -4.875 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.752 -10.096 -4.959 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -3.352 -9.779 -6.814 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.756 -10.763 -7.176 1.00 0.34 H new ATOM 603 N ASP A 37 -2.886 -11.322 -4.095 1.00 0.20 N ATOM 604 CA ASP A 37 -2.204 -12.518 -3.609 1.00 0.22 C ATOM 605 C ASP A 37 -1.631 -12.289 -2.211 1.00 0.18 C ATOM 606 O ASP A 37 -0.421 -12.118 -2.047 1.00 0.16 O ATOM 607 CB ASP A 37 -1.087 -12.922 -4.575 1.00 0.27 C ATOM 608 CG ASP A 37 -1.616 -13.309 -5.942 1.00 0.76 C ATOM 609 OD1 ASP A 37 -1.800 -12.405 -6.784 1.00 1.29 O ATOM 610 OD2 ASP A 37 -1.845 -14.515 -6.172 1.00 0.91 O ATOM 0 H ASP A 37 -2.371 -10.454 -3.947 1.00 0.20 H new ATOM 0 HA ASP A 37 -2.934 -13.326 -3.553 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.385 -12.095 -4.681 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.531 -13.759 -4.153 1.00 0.27 H new ATOM 615 N PRO A 38 -2.498 -12.281 -1.182 1.00 0.21 N ATOM 616 CA PRO A 38 -2.078 -12.073 0.210 1.00 0.21 C ATOM 617 C PRO A 38 -1.108 -13.147 0.694 1.00 0.21 C ATOM 618 O PRO A 38 -0.389 -12.949 1.673 1.00 0.23 O ATOM 619 CB PRO A 38 -3.390 -12.143 1.002 1.00 0.27 C ATOM 620 CG PRO A 38 -4.346 -12.853 0.107 1.00 0.30 C ATOM 621 CD PRO A 38 -3.953 -12.469 -1.290 1.00 0.26 C ATOM 0 HA PRO A 38 -1.543 -11.131 0.331 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.256 -12.680 1.941 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.752 -11.146 1.254 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.287 -13.932 0.248 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.374 -12.559 0.320 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.208 -13.247 -2.010 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.455 -11.558 -1.615 1.00 0.26 H new ATOM 629 N SER A 39 -1.095 -14.284 0.006 1.00 0.21 N ATOM 630 CA SER A 39 -0.210 -15.386 0.370 1.00 0.23 C ATOM 631 C SER A 39 1.245 -15.029 0.077 1.00 0.21 C ATOM 632 O SER A 39 2.166 -15.591 0.669 1.00 0.24 O ATOM 633 CB SER A 39 -0.598 -16.655 -0.391 1.00 0.26 C ATOM 634 OG SER A 39 -0.441 -16.480 -1.789 1.00 1.37 O ATOM 0 H SER A 39 -1.686 -14.467 -0.805 1.00 0.21 H new ATOM 0 HA SER A 39 -0.316 -15.568 1.440 1.00 0.23 H new ATOM 0 HB2 SER A 39 0.019 -17.488 -0.054 1.00 0.26 H new ATOM 0 HB3 SER A 39 -1.633 -16.915 -0.168 1.00 0.26 H new ATOM 0 HG SER A 39 -0.694 -17.306 -2.252 1.00 1.37 H new ATOM 640 N GLN A 40 1.438 -14.089 -0.842 1.00 0.19 N ATOM 641 CA GLN A 40 2.775 -13.644 -1.222 1.00 0.18 C ATOM 642 C GLN A 40 3.263 -12.534 -0.297 1.00 0.16 C ATOM 643 O GLN A 40 4.350 -11.993 -0.486 1.00 0.16 O ATOM 644 CB GLN A 40 2.784 -13.155 -2.671 1.00 0.21 C ATOM 645 CG GLN A 40 2.272 -14.185 -3.665 1.00 0.27 C ATOM 646 CD GLN A 40 3.149 -15.421 -3.729 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.093 -15.486 -4.515 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.837 -16.410 -2.898 1.00 0.69 N ATOM 0 H GLN A 40 0.682 -13.618 -1.340 1.00 0.19 H new ATOM 0 HA GLN A 40 3.451 -14.494 -1.130 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.173 -12.255 -2.746 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.801 -12.873 -2.944 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.259 -14.477 -3.390 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.216 -13.732 -4.655 1.00 0.27 H new ATOM 0 HE21 GLN A 40 2.045 -16.312 -2.263 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.390 -17.267 -2.895 1.00 0.69 H new ATOM 657 N SER A 41 2.442 -12.193 0.693 1.00 0.17 N ATOM 658 CA SER A 41 2.772 -11.141 1.654 1.00 0.20 C ATOM 659 C SER A 41 4.215 -11.255 2.141 1.00 0.20 C ATOM 660 O SER A 41 4.847 -10.251 2.464 1.00 0.25 O ATOM 661 CB SER A 41 1.824 -11.204 2.852 1.00 0.23 C ATOM 662 OG SER A 41 1.777 -12.511 3.395 1.00 1.10 O ATOM 0 H SER A 41 1.536 -12.633 0.852 1.00 0.17 H new ATOM 0 HA SER A 41 2.658 -10.184 1.144 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.152 -10.500 3.617 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.824 -10.898 2.545 1.00 0.23 H new ATOM 0 HG SER A 41 1.047 -13.013 2.976 1.00 1.10 H new ATOM 668 N ALA A 42 4.725 -12.481 2.195 1.00 0.18 N ATOM 669 CA ALA A 42 6.090 -12.719 2.646 1.00 0.20 C ATOM 670 C ALA A 42 7.077 -12.649 1.485 1.00 0.17 C ATOM 671 O ALA A 42 8.224 -12.236 1.656 1.00 0.18 O ATOM 672 CB ALA A 42 6.184 -14.067 3.340 1.00 0.24 C ATOM 0 H ALA A 42 4.214 -13.324 1.932 1.00 0.18 H new ATOM 0 HA ALA A 42 6.353 -11.935 3.356 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.208 -14.234 3.673 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.516 -14.080 4.201 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.895 -14.855 2.645 1.00 0.24 H new ATOM 678 N ASN A 43 6.624 -13.057 0.303 1.00 0.16 N ATOM 679 CA ASN A 43 7.469 -13.042 -0.887 1.00 0.16 C ATOM 680 C ASN A 43 7.660 -11.621 -1.409 1.00 0.13 C ATOM 681 O ASN A 43 8.784 -11.130 -1.492 1.00 0.14 O ATOM 682 CB ASN A 43 6.860 -13.923 -1.980 1.00 0.18 C ATOM 683 CG ASN A 43 6.928 -15.398 -1.638 1.00 0.21 C ATOM 684 OD1 ASN A 43 5.897 -15.901 -0.969 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.899 -16.079 -1.970 1.00 0.71 N flip ATOM 0 H ASN A 43 5.677 -13.402 0.144 1.00 0.16 H new ATOM 0 HA ASN A 43 8.446 -13.438 -0.610 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.820 -13.637 -2.136 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.384 -13.746 -2.919 1.00 0.18 H new ATOM 0 HD21 ASN A 43 8.670 -15.652 -2.483 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.932 -17.070 -1.732 1.00 0.71 H new ATOM 692 N LEU A 44 6.556 -10.973 -1.767 1.00 0.13 N ATOM 693 CA LEU A 44 6.593 -9.606 -2.279 1.00 0.12 C ATOM 694 C LEU A 44 7.388 -8.700 -1.347 1.00 0.11 C ATOM 695 O LEU A 44 8.088 -7.792 -1.794 1.00 0.12 O ATOM 696 CB LEU A 44 5.171 -9.072 -2.447 1.00 0.12 C ATOM 697 CG LEU A 44 4.299 -9.867 -3.421 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.825 -9.603 -3.158 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.655 -9.518 -4.859 1.00 0.23 C ATOM 0 H LEU A 44 5.620 -11.374 -1.712 1.00 0.13 H new ATOM 0 HA LEU A 44 7.088 -9.615 -3.250 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.684 -9.061 -1.472 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.224 -8.038 -2.789 1.00 0.12 H new ATOM 0 HG LEU A 44 4.490 -10.929 -3.265 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.221 -10.177 -3.861 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.578 -9.901 -2.139 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.617 -8.541 -3.285 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.026 -10.092 -5.539 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.493 -8.453 -5.026 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.702 -9.759 -5.043 1.00 0.23 H new ATOM 711 N LEU A 45 7.274 -8.953 -0.047 1.00 0.12 N ATOM 712 CA LEU A 45 7.993 -8.170 0.949 1.00 0.13 C ATOM 713 C LEU A 45 9.493 -8.368 0.789 1.00 0.13 C ATOM 714 O LEU A 45 10.248 -7.409 0.649 1.00 0.15 O ATOM 715 CB LEU A 45 7.572 -8.596 2.356 1.00 0.15 C ATOM 716 CG LEU A 45 7.187 -7.459 3.304 1.00 0.14 C ATOM 717 CD1 LEU A 45 6.946 -7.999 4.704 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.265 -6.386 3.331 1.00 0.14 C ATOM 0 H LEU A 45 6.690 -9.694 0.340 1.00 0.12 H new ATOM 0 HA LEU A 45 7.752 -7.117 0.803 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.725 -9.277 2.272 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.390 -9.159 2.806 1.00 0.15 H new ATOM 0 HG LEU A 45 6.265 -7.007 2.937 1.00 0.14 H new ATOM 0 HD11 LEU A 45 6.673 -7.179 5.368 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.138 -8.730 4.678 1.00 0.18 H new ATOM 0 HD13 LEU A 45 7.855 -8.476 5.071 1.00 0.18 H new ATOM 0 HD21 LEU A 45 7.968 -5.589 4.012 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.204 -6.822 3.671 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.397 -5.977 2.329 1.00 0.14 H new ATOM 730 N ALA A 46 9.908 -9.628 0.811 1.00 0.14 N ATOM 731 CA ALA A 46 11.314 -9.983 0.663 1.00 0.15 C ATOM 732 C ALA A 46 11.852 -9.508 -0.680 1.00 0.15 C ATOM 733 O ALA A 46 13.037 -9.204 -0.815 1.00 0.20 O ATOM 734 CB ALA A 46 11.481 -11.488 0.795 1.00 0.16 C ATOM 0 H ALA A 46 9.285 -10.427 0.931 1.00 0.14 H new ATOM 0 HA ALA A 46 11.883 -9.489 1.451 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.534 -11.748 0.684 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.130 -11.808 1.776 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.900 -11.988 0.020 1.00 0.16 H new ATOM 740 N GLU A 47 10.969 -9.447 -1.668 1.00 0.13 N ATOM 741 CA GLU A 47 11.339 -9.008 -3.007 1.00 0.15 C ATOM 742 C GLU A 47 11.454 -7.493 -3.054 1.00 0.13 C ATOM 743 O GLU A 47 12.213 -6.940 -3.850 1.00 0.17 O ATOM 744 CB GLU A 47 10.303 -9.482 -4.027 1.00 0.18 C ATOM 745 CG GLU A 47 10.311 -10.983 -4.255 1.00 0.28 C ATOM 746 CD GLU A 47 9.303 -11.418 -5.301 1.00 1.24 C ATOM 747 OE1 GLU A 47 9.666 -11.462 -6.495 1.00 1.09 O ATOM 748 OE2 GLU A 47 8.149 -11.718 -4.926 1.00 2.19 O ATOM 0 H GLU A 47 9.986 -9.698 -1.566 1.00 0.13 H new ATOM 0 HA GLU A 47 12.306 -9.444 -3.257 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.311 -9.180 -3.691 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.485 -8.979 -4.977 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.308 -11.295 -4.565 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.096 -11.491 -3.315 1.00 0.28 H new ATOM 755 N ALA A 48 10.693 -6.827 -2.192 1.00 0.10 N ATOM 756 CA ALA A 48 10.708 -5.371 -2.129 1.00 0.10 C ATOM 757 C ALA A 48 11.918 -4.884 -1.345 1.00 0.11 C ATOM 758 O ALA A 48 12.523 -3.868 -1.684 1.00 0.12 O ATOM 759 CB ALA A 48 9.420 -4.852 -1.508 1.00 0.11 C ATOM 0 H ALA A 48 10.059 -7.272 -1.528 1.00 0.10 H new ATOM 0 HA ALA A 48 10.779 -4.981 -3.144 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.448 -3.763 -1.469 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.571 -5.172 -2.112 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.317 -5.249 -0.498 1.00 0.11 H new ATOM 765 N LYS A 49 12.256 -5.614 -0.290 1.00 0.12 N ATOM 766 CA LYS A 49 13.406 -5.284 0.534 1.00 0.14 C ATOM 767 C LYS A 49 14.682 -5.545 -0.248 1.00 0.14 C ATOM 768 O LYS A 49 15.665 -4.812 -0.133 1.00 0.17 O ATOM 769 CB LYS A 49 13.388 -6.124 1.807 1.00 0.14 C ATOM 770 CG LYS A 49 12.193 -5.837 2.700 1.00 0.14 C ATOM 771 CD LYS A 49 12.235 -6.666 3.972 1.00 0.16 C ATOM 772 CE LYS A 49 11.619 -8.038 3.766 1.00 0.16 C ATOM 773 NZ LYS A 49 11.609 -8.836 5.024 1.00 0.21 N ATOM 0 H LYS A 49 11.745 -6.443 0.014 1.00 0.12 H new ATOM 0 HA LYS A 49 13.365 -4.230 0.809 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.386 -7.180 1.537 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.304 -5.940 2.368 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.175 -4.778 2.956 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.272 -6.049 2.157 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.268 -6.776 4.301 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.702 -6.143 4.766 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.599 -7.927 3.398 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.177 -8.575 2.999 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.181 -9.766 4.842 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.584 -8.964 5.362 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.055 -8.336 5.748 1.00 0.21 H new ATOM 787 N LYS A 50 14.647 -6.604 -1.047 1.00 0.13 N ATOM 788 CA LYS A 50 15.776 -6.984 -1.881 1.00 0.16 C ATOM 789 C LYS A 50 15.941 -5.988 -3.021 1.00 0.16 C ATOM 790 O LYS A 50 17.051 -5.737 -3.492 1.00 0.22 O ATOM 791 CB LYS A 50 15.553 -8.390 -2.440 1.00 0.17 C ATOM 792 CG LYS A 50 16.625 -8.839 -3.422 1.00 0.52 C ATOM 793 CD LYS A 50 16.350 -10.239 -3.942 1.00 0.51 C ATOM 794 CE LYS A 50 17.408 -10.683 -4.939 1.00 1.36 C ATOM 795 NZ LYS A 50 17.476 -9.777 -6.118 1.00 2.10 N ATOM 0 H LYS A 50 13.839 -7.220 -1.134 1.00 0.13 H new ATOM 0 HA LYS A 50 16.684 -6.980 -1.278 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.513 -9.098 -1.612 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.583 -8.424 -2.935 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.670 -8.141 -4.258 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.600 -8.815 -2.935 1.00 0.52 H new ATOM 0 HD2 LYS A 50 16.320 -10.939 -3.107 1.00 0.51 H new ATOM 0 HD3 LYS A 50 15.369 -10.266 -4.416 1.00 0.51 H new ATOM 0 HE2 LYS A 50 18.380 -10.712 -4.447 1.00 1.36 H new ATOM 0 HE3 LYS A 50 17.189 -11.697 -5.273 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 18.012 -10.239 -6.880 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 16.513 -9.567 -6.450 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.950 -8.891 -5.848 1.00 2.10 H new ATOM 809 N LEU A 51 14.821 -5.425 -3.457 1.00 0.14 N ATOM 810 CA LEU A 51 14.814 -4.452 -4.539 1.00 0.15 C ATOM 811 C LEU A 51 15.260 -3.085 -4.036 1.00 0.15 C ATOM 812 O LEU A 51 16.000 -2.371 -4.713 1.00 0.18 O ATOM 813 CB LEU A 51 13.412 -4.360 -5.142 1.00 0.15 C ATOM 814 CG LEU A 51 13.269 -3.432 -6.351 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.341 -3.724 -7.394 1.00 0.23 C ATOM 816 CD2 LEU A 51 11.881 -3.577 -6.956 1.00 0.18 C ATOM 0 H LEU A 51 13.898 -5.629 -3.073 1.00 0.14 H new ATOM 0 HA LEU A 51 15.515 -4.779 -5.307 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.097 -5.361 -5.436 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.724 -4.024 -4.366 1.00 0.15 H new ATOM 0 HG LEU A 51 13.402 -2.404 -6.014 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.216 -3.051 -8.242 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.327 -3.575 -6.954 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.247 -4.756 -7.733 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.788 -2.913 -7.816 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.729 -4.608 -7.275 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.130 -3.314 -6.211 1.00 0.18 H new ATOM 828 N ASN A 52 14.804 -2.733 -2.840 1.00 0.15 N ATOM 829 CA ASN A 52 15.155 -1.459 -2.227 1.00 0.18 C ATOM 830 C ASN A 52 16.643 -1.428 -1.916 1.00 0.17 C ATOM 831 O ASN A 52 17.260 -0.365 -1.862 1.00 0.17 O ATOM 832 CB ASN A 52 14.342 -1.246 -0.948 1.00 0.26 C ATOM 833 CG ASN A 52 14.667 0.066 -0.261 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.055 1.093 -0.545 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.628 0.036 0.653 1.00 0.21 N ATOM 0 H ASN A 52 14.187 -3.315 -2.274 1.00 0.15 H new ATOM 0 HA ASN A 52 14.923 -0.654 -2.924 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.279 -1.272 -1.189 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.533 -2.069 -0.259 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.885 0.888 1.151 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.110 -0.839 0.857 1.00 0.21 H new ATOM 842 N ASP A 53 17.210 -2.612 -1.710 1.00 0.18 N ATOM 843 CA ASP A 53 18.627 -2.740 -1.413 1.00 0.20 C ATOM 844 C ASP A 53 19.440 -2.758 -2.704 1.00 0.22 C ATOM 845 O ASP A 53 20.645 -2.502 -2.697 1.00 0.25 O ATOM 846 CB ASP A 53 18.890 -4.016 -0.612 1.00 0.23 C ATOM 847 CG ASP A 53 20.340 -4.146 -0.194 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.129 -4.735 -0.964 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.689 -3.658 0.902 1.00 0.34 O ATOM 0 H ASP A 53 16.706 -3.498 -1.744 1.00 0.18 H new ATOM 0 HA ASP A 53 18.933 -1.881 -0.816 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.257 -4.022 0.275 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.608 -4.882 -1.211 1.00 0.23 H new ATOM 854 N ALA A 54 18.766 -3.064 -3.810 1.00 0.22 N ATOM 855 CA ALA A 54 19.415 -3.114 -5.115 1.00 0.26 C ATOM 856 C ALA A 54 19.694 -1.711 -5.633 1.00 0.28 C ATOM 857 O ALA A 54 20.674 -1.479 -6.342 1.00 0.32 O ATOM 858 CB ALA A 54 18.549 -3.880 -6.104 1.00 0.27 C ATOM 0 H ALA A 54 17.770 -3.281 -3.827 1.00 0.22 H new ATOM 0 HA ALA A 54 20.367 -3.633 -5.005 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.045 -3.910 -7.074 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.397 -4.897 -5.743 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.584 -3.382 -6.205 1.00 0.27 H new ATOM 864 N GLN A 55 18.821 -0.777 -5.271 1.00 0.27 N ATOM 865 CA GLN A 55 18.962 0.610 -5.689 1.00 0.31 C ATOM 866 C GLN A 55 19.590 1.442 -4.575 1.00 0.33 C ATOM 867 O GLN A 55 19.802 2.645 -4.727 1.00 0.41 O ATOM 868 CB GLN A 55 17.595 1.181 -6.066 1.00 0.32 C ATOM 869 CG GLN A 55 16.790 0.264 -6.976 1.00 0.32 C ATOM 870 CD GLN A 55 15.425 0.828 -7.315 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.909 0.615 -8.412 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.825 1.545 -6.370 1.00 0.29 N ATOM 0 H GLN A 55 18.005 -0.958 -4.686 1.00 0.27 H new ATOM 0 HA GLN A 55 19.617 0.649 -6.560 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.025 1.371 -5.157 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.734 2.142 -6.561 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.347 0.093 -7.897 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.668 -0.705 -6.493 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.288 1.698 -5.474 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.901 1.943 -6.541 1.00 0.29 H new ATOM 881 N ALA A 56 19.883 0.786 -3.457 1.00 0.28 N ATOM 882 CA ALA A 56 20.484 1.449 -2.309 1.00 0.31 C ATOM 883 C ALA A 56 21.837 2.060 -2.669 1.00 0.39 C ATOM 884 O ALA A 56 22.559 1.530 -3.515 1.00 0.44 O ATOM 885 CB ALA A 56 20.642 0.463 -1.160 1.00 0.29 C ATOM 0 H ALA A 56 19.712 -0.211 -3.323 1.00 0.28 H new ATOM 0 HA ALA A 56 19.821 2.257 -1.999 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.092 0.969 -0.306 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.664 0.074 -0.877 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.283 -0.361 -1.473 1.00 0.29 H new ATOM 1066 N THR B 109 -0.047 9.678 7.341 1.00 0.39 N ATOM 1067 CA THR B 109 -0.209 9.186 5.979 1.00 0.28 C ATOM 1068 C THR B 109 -0.360 7.668 5.967 1.00 0.25 C ATOM 1069 O THR B 109 -1.149 7.117 5.199 1.00 0.27 O ATOM 1070 CB THR B 109 0.987 9.586 5.091 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.043 11.012 4.961 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.885 8.948 3.712 1.00 0.27 C ATOM 0 HA THR B 109 -1.113 9.643 5.576 1.00 0.28 H new ATOM 0 HB THR B 109 1.899 9.226 5.568 1.00 0.25 H new ATOM 0 HG1 THR B 109 0.656 11.429 5.759 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.741 9.248 3.108 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.874 7.863 3.813 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.034 9.276 3.226 1.00 0.27 H new ATOM 1080 N GLN B 110 0.402 6.999 6.827 1.00 0.30 N ATOM 1081 CA GLN B 110 0.358 5.546 6.928 1.00 0.32 C ATOM 1082 C GLN B 110 -1.035 5.057 7.310 1.00 0.30 C ATOM 1083 O GLN B 110 -1.411 3.926 7.002 1.00 0.30 O ATOM 1084 CB GLN B 110 1.378 5.054 7.950 1.00 0.42 C ATOM 1085 CG GLN B 110 2.742 4.793 7.344 1.00 0.48 C ATOM 1086 CD GLN B 110 3.784 4.417 8.373 1.00 0.85 C ATOM 1087 OE1 GLN B 110 5.031 4.753 8.082 1.00 1.34 O flip ATOM 1088 NE2 GLN B 110 3.473 3.834 9.411 1.00 1.38 N flip ATOM 0 H GLN B 110 1.060 7.444 7.467 1.00 0.30 H new ATOM 0 HA GLN B 110 0.605 5.138 5.948 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.475 5.794 8.744 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.010 4.138 8.411 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.660 3.992 6.609 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.072 5.684 6.809 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.497 3.596 9.590 1.00 1.38 H new ATOM 0 HE22 GLN B 110 4.191 3.588 10.093 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.799 5.915 7.981 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.149 5.559 8.403 1.00 0.30 C ATOM 1099 C GLU B 111 -4.078 5.498 7.199 1.00 0.28 C ATOM 1100 O GLU B 111 -4.822 4.535 7.022 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.677 6.571 9.423 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.696 6.871 10.543 1.00 0.38 C ATOM 1103 CD GLU B 111 -3.299 7.741 11.627 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -3.243 8.981 11.494 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -3.830 7.181 12.610 1.00 1.04 O ATOM 0 H GLU B 111 -1.508 6.857 8.243 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.115 4.576 8.873 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.923 7.500 8.908 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.603 6.191 9.854 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -2.354 5.934 10.982 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -1.819 7.368 10.129 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.022 6.534 6.371 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.848 6.605 5.175 1.00 0.17 C ATOM 1114 C ALA B 112 -4.409 5.561 4.153 1.00 0.13 C ATOM 1115 O ALA B 112 -5.208 5.099 3.338 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.776 7.998 4.573 1.00 0.17 C ATOM 0 H ALA B 112 -3.410 7.339 6.508 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.880 6.395 5.454 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.398 8.040 3.679 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.135 8.727 5.299 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.744 8.227 4.309 1.00 0.17 H new ATOM 1122 N SER B 113 -3.131 5.196 4.207 1.00 0.13 N ATOM 1123 CA SER B 113 -2.572 4.206 3.293 1.00 0.11 C ATOM 1124 C SER B 113 -3.162 2.824 3.556 1.00 0.10 C ATOM 1125 O SER B 113 -3.634 2.154 2.637 1.00 0.12 O ATOM 1126 CB SER B 113 -1.050 4.158 3.437 1.00 0.15 C ATOM 1127 OG SER B 113 -0.469 5.414 3.137 1.00 0.92 O ATOM 0 H SER B 113 -2.461 5.573 4.877 1.00 0.13 H new ATOM 0 HA SER B 113 -2.828 4.501 2.275 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.787 3.866 4.454 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.643 3.397 2.771 1.00 0.15 H new ATOM 0 HG SER B 113 -0.606 6.026 3.890 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.137 2.405 4.818 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.665 1.101 5.201 1.00 0.10 C ATOM 1135 C TRP B 114 -5.162 1.009 4.917 1.00 0.12 C ATOM 1136 O TRP B 114 -5.644 -0.006 4.420 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.389 0.828 6.682 1.00 0.13 C ATOM 1138 CG TRP B 114 -3.917 -0.495 7.154 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.806 -0.707 8.166 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.588 -1.787 6.631 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.057 -2.051 8.300 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.322 -2.735 7.369 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.748 -2.234 5.610 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.241 -4.101 7.116 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.667 -3.591 5.360 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.412 -4.511 6.109 1.00 0.23 C ATOM 0 H TRP B 114 -2.757 2.950 5.592 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.159 0.344 4.602 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.314 0.864 6.856 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -3.836 1.623 7.279 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.248 0.069 8.774 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.688 -2.471 8.982 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.172 -1.532 5.026 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.813 -4.812 7.694 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.018 -3.948 4.574 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.330 -5.565 5.887 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.891 2.077 5.233 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.335 2.113 5.010 1.00 0.18 C ATOM 1159 C GLU B 115 -7.672 1.828 3.550 1.00 0.19 C ATOM 1160 O GLU B 115 -8.687 1.199 3.247 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.902 3.476 5.413 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.842 3.745 6.906 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.647 2.745 7.712 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -8.093 1.682 8.064 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -9.831 3.024 7.991 1.00 1.80 O ATOM 0 H GLU B 115 -5.507 2.928 5.644 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.788 1.338 5.628 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.351 4.258 4.890 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.939 3.540 5.083 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.803 3.718 7.235 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.214 4.750 7.105 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.818 2.299 2.650 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.018 2.097 1.221 1.00 0.12 C ATOM 1174 C ILE B 116 -6.808 0.634 0.839 1.00 0.10 C ATOM 1175 O ILE B 116 -7.468 0.115 -0.061 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.063 2.993 0.405 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.486 4.458 0.544 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.037 2.576 -1.060 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.412 5.444 0.144 1.00 0.11 C ATOM 0 H ILE B 116 -5.977 2.826 2.886 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.047 2.372 0.989 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.053 2.875 0.798 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.371 4.631 -0.069 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.773 4.647 1.578 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.356 3.225 -1.611 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.698 1.543 -1.138 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.039 2.661 -1.480 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.786 6.460 0.270 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.534 5.300 0.773 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.141 5.284 -0.900 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.895 -0.027 1.540 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.590 -1.428 1.275 1.00 0.09 C ATOM 1193 C PHE B 117 -6.624 -2.348 1.920 1.00 0.11 C ATOM 1194 O PHE B 117 -6.851 -3.461 1.451 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.193 -1.765 1.804 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.639 -3.063 1.285 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.930 -4.261 1.919 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.820 -3.084 0.166 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.417 -5.453 1.446 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.303 -4.274 -0.310 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.603 -5.460 0.330 1.00 0.20 C ATOM 0 H PHE B 117 -5.352 0.386 2.298 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.619 -1.585 0.197 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.510 -0.958 1.537 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.228 -1.806 2.893 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.565 -4.262 2.793 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.583 -2.159 -0.339 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.652 -6.379 1.949 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.665 -4.276 -1.181 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.202 -6.392 -0.041 1.00 0.20 H new ATOM 1211 N THR B 118 -7.251 -1.872 2.993 1.00 0.12 N ATOM 1212 CA THR B 118 -8.250 -2.664 3.707 1.00 0.16 C ATOM 1213 C THR B 118 -9.553 -2.771 2.926 1.00 0.18 C ATOM 1214 O THR B 118 -10.427 -3.566 3.274 1.00 0.34 O ATOM 1215 CB THR B 118 -8.550 -2.075 5.097 1.00 0.19 C ATOM 1216 OG1 THR B 118 -8.998 -0.720 4.973 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.315 -2.128 5.982 1.00 0.20 C ATOM 0 H THR B 118 -7.086 -0.945 3.386 1.00 0.12 H new ATOM 0 HA THR B 118 -7.822 -3.660 3.822 1.00 0.16 H new ATOM 0 HB THR B 118 -9.336 -2.673 5.558 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.822 -0.399 4.064 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.550 -1.707 6.960 1.00 0.20 H new ATOM 0 HG22 THR B 118 -6.996 -3.164 6.100 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.512 -1.552 5.522 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.686 -1.974 1.871 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.889 -2.000 1.055 1.00 0.14 C ATOM 1227 C LEU B 119 -10.984 -3.338 0.316 1.00 0.15 C ATOM 1228 O LEU B 119 -10.054 -3.722 -0.392 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.877 -0.822 0.079 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.809 0.555 0.750 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.609 1.652 -0.281 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.069 0.819 1.563 1.00 1.01 C ATOM 0 H LEU B 119 -8.978 -1.306 1.564 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.769 -1.902 1.691 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.024 -0.929 -0.590 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.774 -0.868 -0.538 1.00 0.16 H new ATOM 0 HG LEU B 119 -9.952 0.558 1.424 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.564 2.619 0.220 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.678 1.479 -0.820 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.442 1.646 -0.984 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.001 1.801 2.031 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -12.939 0.789 0.906 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.171 0.056 2.334 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.109 -4.065 0.467 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.289 -5.381 -0.155 1.00 0.26 C ATOM 1246 C PRO B 120 -12.674 -5.314 -1.628 1.00 0.26 C ATOM 1247 O PRO B 120 -12.245 -6.148 -2.425 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.425 -5.989 0.663 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.252 -4.822 1.084 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.306 -3.656 1.234 1.00 0.35 C ATOM 0 HA PRO B 120 -11.363 -5.956 -0.148 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -14.007 -6.694 0.070 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -13.044 -6.536 1.525 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -15.021 -4.604 0.343 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.764 -5.029 2.024 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.739 -2.737 0.838 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -13.065 -3.470 2.281 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.483 -4.326 -1.986 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.927 -4.174 -3.365 1.00 0.23 C ATOM 1260 C ASN B 121 -12.788 -3.705 -4.261 1.00 0.19 C ATOM 1261 O ASN B 121 -12.795 -3.955 -5.466 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.104 -3.202 -3.449 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.363 -3.775 -2.834 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.127 -4.475 -3.498 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.588 -3.478 -1.559 1.00 0.50 N ATOM 0 H ASN B 121 -13.844 -3.621 -1.344 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.256 -5.151 -3.718 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.843 -2.274 -2.941 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.293 -2.952 -4.493 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.422 -3.834 -1.092 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -15.927 -2.894 -1.047 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.810 -3.023 -3.672 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.672 -2.531 -4.435 1.00 0.13 C ATOM 1274 C LEU B 122 -9.578 -3.578 -4.535 1.00 0.16 C ATOM 1275 O LEU B 122 -9.105 -4.101 -3.526 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.124 -1.251 -3.810 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.644 0.038 -4.444 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.146 -0.045 -4.661 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.298 1.231 -3.576 1.00 0.19 C ATOM 0 H LEU B 122 -11.784 -2.801 -2.677 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.019 -2.311 -5.445 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.373 -1.245 -2.749 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.036 -1.263 -3.882 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.163 0.165 -5.414 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.500 0.881 -5.113 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.372 -0.881 -5.322 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.644 -0.195 -3.703 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.675 2.141 -4.042 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.754 1.110 -2.593 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.216 1.301 -3.468 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.182 -3.876 -5.764 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.136 -4.858 -6.009 1.00 0.20 C ATOM 1293 C ASN B 123 -6.762 -4.229 -5.822 1.00 0.19 C ATOM 1294 O ASN B 123 -6.653 -3.096 -5.355 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.264 -5.447 -7.415 1.00 0.28 C ATOM 1296 CG ASN B 123 -8.337 -4.381 -8.489 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -7.313 -3.914 -8.987 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -9.552 -3.992 -8.855 1.00 1.39 N ATOM 0 H ASN B 123 -9.569 -3.452 -6.607 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.251 -5.666 -5.287 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.412 -6.097 -7.611 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -9.158 -6.069 -7.464 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -9.664 -3.279 -9.576 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -10.374 -4.406 -8.415 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.721 -4.961 -6.189 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.370 -4.455 -6.038 1.00 0.11 C ATOM 1307 C GLY B 124 -4.087 -3.242 -6.902 1.00 0.11 C ATOM 1308 O GLY B 124 -3.391 -2.321 -6.477 1.00 0.17 O ATOM 0 H GLY B 124 -5.786 -5.897 -6.589 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.201 -4.196 -4.993 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.663 -5.245 -6.289 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.627 -3.239 -8.114 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.413 -2.132 -9.043 1.00 0.14 C ATOM 1314 C ARG B 125 -5.025 -0.836 -8.517 1.00 0.12 C ATOM 1315 O ARG B 125 -4.358 0.197 -8.459 1.00 0.21 O ATOM 1316 CB ARG B 125 -5.007 -2.464 -10.414 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.834 -3.917 -10.824 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.470 -4.192 -12.177 1.00 0.90 C ATOM 1319 NE ARG B 125 -6.905 -3.921 -12.169 1.00 1.75 N ATOM 1320 CZ ARG B 125 -7.678 -4.001 -13.248 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -7.158 -4.341 -14.420 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -8.975 -3.743 -13.155 1.00 3.25 N ATOM 0 H ARG B 125 -5.216 -3.988 -8.478 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.337 -1.987 -9.140 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -6.070 -2.223 -10.407 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.541 -1.827 -11.165 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.772 -4.162 -10.863 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.283 -4.565 -10.071 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -4.988 -3.576 -12.936 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -5.298 -5.232 -12.454 1.00 0.90 H new ATOM 0 HE ARG B 125 -7.339 -3.655 -11.285 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -6.161 -4.542 -14.496 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -7.755 -4.401 -15.245 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -9.380 -3.483 -12.256 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -9.568 -3.804 -13.983 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.297 -0.898 -8.136 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.005 0.272 -7.632 1.00 0.11 C ATOM 1338 C GLN B 126 -6.345 0.836 -6.374 1.00 0.09 C ATOM 1339 O GLN B 126 -6.087 2.036 -6.290 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.466 -0.082 -7.349 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.120 -0.871 -8.472 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.613 -1.046 -8.274 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.058 -2.005 -7.644 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.391 -0.121 -8.819 1.00 0.64 N ATOM 0 H GLN B 126 -6.859 -1.749 -8.167 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.961 1.044 -8.400 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.521 -0.661 -6.427 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.030 0.836 -7.183 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.941 -0.363 -9.419 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.650 -1.852 -8.543 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.976 0.656 -9.333 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.404 -0.187 -8.725 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.072 -0.029 -5.400 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.448 0.406 -4.152 1.00 0.08 C ATOM 1355 C VAL B 127 -4.055 0.988 -4.396 1.00 0.08 C ATOM 1356 O VAL B 127 -3.747 2.077 -3.919 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.358 -0.745 -3.124 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.748 -1.252 -2.765 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.489 -1.879 -3.647 1.00 0.10 C ATOM 0 H VAL B 127 -6.271 -1.028 -5.449 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.088 1.187 -3.741 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.890 -0.355 -2.220 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.664 -2.062 -2.040 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.332 -0.439 -2.334 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.245 -1.619 -3.663 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.443 -2.675 -2.904 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -4.917 -2.269 -4.570 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.483 -1.507 -3.842 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.224 0.275 -5.157 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.868 0.737 -5.450 1.00 0.10 C ATOM 1371 C ALA B 128 -1.890 2.094 -6.142 1.00 0.10 C ATOM 1372 O ALA B 128 -0.868 2.775 -6.226 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.122 -0.284 -6.299 1.00 0.10 C ATOM 0 H ALA B 128 -3.465 -0.621 -5.580 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.340 0.849 -4.503 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.115 0.080 -6.505 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.063 -1.230 -5.761 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.653 -0.433 -7.239 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.061 2.477 -6.637 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.222 3.758 -7.314 1.00 0.09 C ATOM 1381 C ALA B 129 -3.522 4.857 -6.304 1.00 0.09 C ATOM 1382 O ALA B 129 -3.138 6.012 -6.492 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.330 3.675 -8.354 1.00 0.10 C ATOM 0 H ALA B 129 -3.913 1.919 -6.582 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.289 4.000 -7.823 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.437 4.640 -8.850 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.080 2.913 -9.092 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.268 3.412 -7.866 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.211 4.484 -5.231 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.562 5.426 -4.177 1.00 0.08 C ATOM 1391 C PHE B 130 -3.411 5.572 -3.183 1.00 0.09 C ATOM 1392 O PHE B 130 -3.305 6.581 -2.487 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.834 4.968 -3.459 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.096 5.212 -4.242 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.607 6.494 -4.369 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.774 4.163 -4.847 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.767 6.727 -5.083 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.934 4.392 -5.562 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.423 5.653 -5.700 1.00 0.16 C ATOM 0 H PHE B 130 -4.538 3.532 -5.069 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.749 6.399 -4.630 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.753 3.903 -3.241 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.906 5.485 -2.502 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.092 7.322 -3.904 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.391 3.157 -4.758 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.165 7.728 -5.165 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.457 3.562 -6.015 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.315 5.827 -6.284 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.548 4.556 -3.124 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.395 4.587 -2.228 1.00 0.09 C ATOM 1411 C ILE B 131 -0.309 5.471 -2.820 1.00 0.10 C ATOM 1412 O ILE B 131 0.349 6.234 -2.112 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.808 3.179 -1.988 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.894 2.206 -1.520 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.326 3.246 -0.970 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.420 2.493 -0.133 1.00 0.13 C ATOM 0 H ILE B 131 -2.626 3.707 -3.684 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.739 4.983 -1.273 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.409 2.809 -2.932 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.724 2.237 -2.226 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.494 1.192 -1.543 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.731 2.247 -0.810 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.113 3.901 -1.344 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.054 3.639 -0.027 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.185 1.761 0.125 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.603 2.432 0.586 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.852 3.493 -0.108 1.00 0.13 H new ATOM 1428 N SER B 132 -0.132 5.354 -4.132 1.00 0.11 N ATOM 1429 CA SER B 132 0.868 6.137 -4.847 1.00 0.13 C ATOM 1430 C SER B 132 0.593 7.627 -4.703 1.00 0.15 C ATOM 1431 O SER B 132 1.454 8.386 -4.263 1.00 0.21 O ATOM 1432 CB SER B 132 0.880 5.755 -6.328 1.00 0.17 C ATOM 1433 OG SER B 132 1.896 6.454 -7.028 1.00 0.63 O ATOM 0 H SER B 132 -0.671 4.721 -4.723 1.00 0.11 H new ATOM 0 HA SER B 132 1.843 5.919 -4.412 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.038 4.681 -6.428 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.090 5.977 -6.772 1.00 0.17 H new ATOM 0 HG SER B 132 2.527 6.842 -6.387 1.00 0.63 H new ATOM 1439 N SER B 133 -0.614 8.036 -5.083 1.00 0.15 N ATOM 1440 CA SER B 133 -1.011 9.437 -4.996 1.00 0.19 C ATOM 1441 C SER B 133 -0.830 9.965 -3.579 1.00 0.18 C ATOM 1442 O SER B 133 -0.479 11.126 -3.377 1.00 0.26 O ATOM 1443 CB SER B 133 -2.472 9.604 -5.417 1.00 0.23 C ATOM 1444 OG SER B 133 -2.782 10.966 -5.654 1.00 0.74 O ATOM 0 H SER B 133 -1.334 7.416 -5.454 1.00 0.15 H new ATOM 0 HA SER B 133 -0.372 10.008 -5.670 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.663 9.022 -6.319 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.125 9.209 -4.639 1.00 0.23 H new ATOM 0 HG SER B 133 -2.016 11.524 -5.404 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.069 9.099 -2.603 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.944 9.473 -1.202 1.00 0.13 C ATOM 1452 C LEU B 134 0.488 9.863 -0.864 1.00 0.15 C ATOM 1453 O LEU B 134 0.736 10.913 -0.272 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.388 8.314 -0.308 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.398 8.681 0.776 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.696 7.474 1.650 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.881 9.838 1.615 1.00 0.20 C ATOM 0 H LEU B 134 -1.351 8.131 -2.757 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.586 10.336 -1.024 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.820 7.536 -0.937 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.507 7.885 0.169 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.325 8.995 0.296 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.418 7.751 2.419 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.109 6.673 1.036 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.776 7.131 2.123 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.614 10.086 2.383 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -0.942 9.553 2.088 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.717 10.706 0.976 1.00 0.20 H new ATOM 1469 N LEU B 135 1.423 9.008 -1.246 1.00 0.17 N ATOM 1470 CA LEU B 135 2.837 9.245 -0.981 1.00 0.22 C ATOM 1471 C LEU B 135 3.389 10.320 -1.910 1.00 0.24 C ATOM 1472 O LEU B 135 4.399 10.958 -1.608 1.00 0.31 O ATOM 1473 CB LEU B 135 3.621 7.941 -1.152 1.00 0.26 C ATOM 1474 CG LEU B 135 3.476 6.910 -0.020 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.124 7.019 0.680 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.660 5.508 -0.571 1.00 0.65 C ATOM 0 H LEU B 135 1.229 8.139 -1.743 1.00 0.17 H new ATOM 0 HA LEU B 135 2.946 9.596 0.045 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.308 7.472 -2.085 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.677 8.187 -1.258 1.00 0.26 H new ATOM 0 HG LEU B 135 4.249 7.120 0.719 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.063 6.273 1.472 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.016 8.015 1.110 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.326 6.847 -0.042 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.556 4.783 0.236 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.904 5.314 -1.332 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.652 5.418 -1.013 1.00 0.65 H new ATOM 1488 N ASP B 136 2.720 10.516 -3.041 1.00 0.22 N ATOM 1489 CA ASP B 136 3.135 11.517 -4.017 1.00 0.26 C ATOM 1490 C ASP B 136 2.664 12.907 -3.598 1.00 0.25 C ATOM 1491 O ASP B 136 3.245 13.917 -3.995 1.00 0.29 O ATOM 1492 CB ASP B 136 2.577 11.171 -5.399 1.00 0.29 C ATOM 1493 CG ASP B 136 2.990 12.175 -6.459 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.099 12.031 -7.016 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.205 13.110 -6.730 1.00 0.40 O ATOM 0 H ASP B 136 1.885 9.993 -3.305 1.00 0.22 H new ATOM 0 HA ASP B 136 4.224 11.519 -4.063 1.00 0.26 H new ATOM 0 HB2 ASP B 136 2.922 10.179 -5.689 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.489 11.128 -5.348 1.00 0.29 H new ATOM 1500 N ASP B 137 1.607 12.944 -2.792 1.00 0.24 N ATOM 1501 CA ASP B 137 1.050 14.201 -2.307 1.00 0.27 C ATOM 1502 C ASP B 137 0.195 13.964 -1.061 1.00 0.22 C ATOM 1503 O ASP B 137 -1.035 13.994 -1.123 1.00 0.24 O ATOM 1504 CB ASP B 137 0.222 14.876 -3.406 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.823 13.955 -4.006 1.00 1.19 C ATOM 1506 OD1 ASP B 137 -0.489 13.219 -4.958 1.00 2.13 O ATOM 1507 OD2 ASP B 137 -1.978 13.974 -3.529 1.00 1.42 O ATOM 0 H ASP B 137 1.118 12.113 -2.460 1.00 0.24 H new ATOM 0 HA ASP B 137 1.873 14.863 -2.037 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.271 15.757 -2.994 1.00 0.38 H new ATOM 0 HB3 ASP B 137 0.889 15.224 -4.195 1.00 0.38 H new ATOM 1512 N PRO B 138 0.847 13.721 0.094 1.00 0.19 N ATOM 1513 CA PRO B 138 0.153 13.469 1.366 1.00 0.21 C ATOM 1514 C PRO B 138 -0.824 14.579 1.743 1.00 0.22 C ATOM 1515 O PRO B 138 -1.599 14.437 2.688 1.00 0.31 O ATOM 1516 CB PRO B 138 1.293 13.394 2.386 1.00 0.24 C ATOM 1517 CG PRO B 138 2.487 13.006 1.587 1.00 0.25 C ATOM 1518 CD PRO B 138 2.312 13.667 0.250 1.00 0.23 C ATOM 0 HA PRO B 138 -0.458 12.568 1.315 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.443 14.352 2.884 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.081 12.661 3.164 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.406 13.337 2.070 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.554 11.923 1.483 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.757 14.662 0.231 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.782 13.093 -0.548 1.00 0.23 H new ATOM 1526 N SER B 139 -0.782 15.682 1.006 1.00 0.20 N ATOM 1527 CA SER B 139 -1.673 16.804 1.267 1.00 0.22 C ATOM 1528 C SER B 139 -3.122 16.402 1.014 1.00 0.19 C ATOM 1529 O SER B 139 -4.017 16.748 1.784 1.00 0.19 O ATOM 1530 CB SER B 139 -1.299 17.998 0.386 1.00 0.28 C ATOM 1531 OG SER B 139 -2.138 19.110 0.648 1.00 1.15 O ATOM 0 H SER B 139 -0.142 15.823 0.225 1.00 0.20 H new ATOM 0 HA SER B 139 -1.566 17.092 2.313 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.259 18.273 0.564 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.379 17.718 -0.664 1.00 0.28 H new ATOM 0 HG SER B 139 -1.877 19.859 0.073 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.340 15.669 -0.072 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.677 15.210 -0.432 1.00 0.17 C ATOM 1539 C GLN B 140 -4.963 13.844 0.172 1.00 0.15 C ATOM 1540 O GLN B 140 -5.831 13.124 -0.307 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.834 15.132 -1.949 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.794 16.482 -2.639 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.873 17.425 -2.143 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.981 17.458 -2.680 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.553 18.199 -1.112 1.00 1.37 N ATOM 0 H GLN B 140 -2.607 15.379 -0.720 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.389 15.933 -0.034 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.042 14.503 -2.355 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.780 14.643 -2.182 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.817 16.938 -2.479 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.908 16.340 -3.714 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.623 18.138 -0.698 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.238 18.854 -0.734 1.00 1.37 H new ATOM 1554 N SER B 141 -4.225 13.495 1.215 1.00 0.15 N ATOM 1555 CA SER B 141 -4.390 12.206 1.882 1.00 0.13 C ATOM 1556 C SER B 141 -5.858 11.899 2.162 1.00 0.13 C ATOM 1557 O SER B 141 -6.376 10.869 1.736 1.00 0.18 O ATOM 1558 CB SER B 141 -3.606 12.188 3.196 1.00 0.15 C ATOM 1559 OG SER B 141 -3.820 10.979 3.902 1.00 1.01 O ATOM 0 H SER B 141 -3.502 14.088 1.622 1.00 0.15 H new ATOM 0 HA SER B 141 -4.004 11.439 1.211 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.542 12.309 2.990 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.909 13.033 3.815 1.00 0.15 H new ATOM 0 HG SER B 141 -3.307 10.992 4.737 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.520 12.797 2.881 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.924 12.616 3.225 1.00 0.17 C ATOM 1567 C ALA B 142 -8.808 12.555 1.985 1.00 0.17 C ATOM 1568 O ALA B 142 -9.857 11.914 1.998 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.385 13.736 4.145 1.00 0.20 C ATOM 0 H ALA B 142 -6.106 13.659 3.237 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.018 11.661 3.743 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.436 13.591 4.396 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.789 13.726 5.058 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.261 14.695 3.641 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.384 13.221 0.916 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.158 13.235 -0.318 1.00 0.18 C ATOM 1577 C ASN B 143 -8.902 11.972 -1.123 1.00 0.16 C ATOM 1578 O ASN B 143 -9.776 11.484 -1.834 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.815 14.463 -1.155 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.977 15.756 -0.381 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.907 16.192 0.274 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -10.051 16.358 -0.371 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.515 13.754 0.880 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.215 13.276 -0.054 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.787 14.382 -1.510 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.455 14.488 -2.037 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.848 15.987 -0.888 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.144 17.227 0.155 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.694 11.447 -0.990 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.287 10.248 -1.699 1.00 0.12 C ATOM 1591 C LEU B 144 -7.888 9.018 -1.042 1.00 0.11 C ATOM 1592 O LEU B 144 -8.242 8.048 -1.713 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.764 10.171 -1.722 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.090 11.236 -2.588 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.602 11.275 -2.310 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.354 10.970 -4.063 1.00 0.14 C ATOM 0 H LEU B 144 -6.971 11.841 -0.388 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.652 10.287 -2.725 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.392 10.262 -0.701 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.468 9.186 -2.083 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.514 12.208 -2.336 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.135 12.038 -2.933 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.434 11.512 -1.260 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.164 10.303 -2.537 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.867 11.738 -4.664 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.957 9.991 -4.333 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.428 10.990 -4.250 1.00 0.14 H new ATOM 1608 N LEU B 145 -7.998 9.066 0.279 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.592 7.976 1.029 1.00 0.11 C ATOM 1610 C LEU B 145 -10.099 8.051 0.872 1.00 0.12 C ATOM 1611 O LEU B 145 -10.796 7.036 0.887 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.201 8.056 2.508 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.063 7.224 3.464 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.070 5.760 3.049 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.565 7.371 4.894 1.00 0.16 C ATOM 0 H LEU B 145 -7.682 9.850 0.850 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.225 7.024 0.644 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.164 7.736 2.610 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.245 9.099 2.822 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.086 7.597 3.414 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.688 5.188 3.742 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.476 5.669 2.041 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.052 5.372 3.066 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.188 6.774 5.560 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.533 7.026 4.957 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.617 8.418 5.191 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.593 9.276 0.713 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.015 9.500 0.521 1.00 0.17 C ATOM 1629 C ALA B 146 -12.451 8.901 -0.806 1.00 0.16 C ATOM 1630 O ALA B 146 -13.412 8.135 -0.868 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.335 10.986 0.562 1.00 0.20 C ATOM 0 H ALA B 146 -10.027 10.125 0.714 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.561 9.014 1.330 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.405 11.132 0.416 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.041 11.395 1.529 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.788 11.498 -0.230 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.721 9.247 -1.867 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.011 8.737 -3.200 1.00 0.19 C ATOM 1639 C GLU B 147 -12.013 7.221 -3.168 1.00 0.16 C ATOM 1640 O GLU B 147 -12.912 6.571 -3.701 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.956 9.224 -4.193 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.946 10.729 -4.388 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.993 11.202 -5.376 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.912 10.807 -6.558 1.00 0.57 O ATOM 1645 OE2 GLU B 147 -12.897 11.960 -4.967 1.00 0.62 O ATOM 0 H GLU B 147 -10.923 9.881 -1.825 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.989 9.101 -3.516 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.972 8.905 -3.849 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.128 8.743 -5.156 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.114 11.216 -3.427 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.960 11.039 -4.735 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.982 6.677 -2.538 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.836 5.240 -2.395 1.00 0.12 C ATOM 1654 C ALA B 148 -12.089 4.635 -1.774 1.00 0.14 C ATOM 1655 O ALA B 148 -12.585 3.604 -2.224 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.622 4.933 -1.536 1.00 0.11 C ATOM 0 H ALA B 148 -10.228 7.218 -2.114 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.697 4.799 -3.382 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.515 3.853 -1.430 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.729 5.342 -2.009 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.750 5.383 -0.552 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.589 5.288 -0.729 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.790 4.836 -0.041 1.00 0.17 C ATOM 1664 C LYS B 149 -15.003 4.914 -0.962 1.00 0.17 C ATOM 1665 O LYS B 149 -15.915 4.091 -0.872 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.030 5.677 1.214 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.120 5.317 2.374 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.423 6.165 3.600 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.417 5.914 4.709 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.710 6.729 5.921 1.00 1.01 N ATOM 0 H LYS B 149 -12.177 6.136 -0.340 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.645 3.796 0.251 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.890 6.729 0.967 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.067 5.558 1.527 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.242 4.262 2.620 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.080 5.458 2.080 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.410 7.220 3.327 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.427 5.941 3.960 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.424 4.856 4.973 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.415 6.146 4.349 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.000 6.528 6.654 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.678 7.739 5.676 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.656 6.489 6.280 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.012 5.909 -1.847 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.116 6.081 -2.785 1.00 0.20 C ATOM 1686 C LYS B 150 -16.107 4.966 -3.819 1.00 0.21 C ATOM 1687 O LYS B 150 -17.156 4.458 -4.212 1.00 0.30 O ATOM 1688 CB LYS B 150 -16.023 7.434 -3.494 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.972 8.624 -2.548 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.190 9.940 -3.276 1.00 0.81 C ATOM 1691 CE LYS B 150 -15.245 10.110 -4.458 1.00 1.28 C ATOM 1692 NZ LYS B 150 -15.540 11.351 -5.226 1.00 1.99 N ATOM 0 H LYS B 150 -14.271 6.604 -1.933 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.047 6.044 -2.219 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.132 7.443 -4.122 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.881 7.546 -4.156 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.733 8.506 -1.776 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.006 8.645 -2.043 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -17.221 9.992 -3.627 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -16.049 10.766 -2.579 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -14.216 10.140 -4.100 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -15.328 9.246 -5.117 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -15.911 11.099 -6.164 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -16.247 11.916 -4.714 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -14.668 11.906 -5.337 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.908 4.589 -4.250 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.743 3.536 -5.239 1.00 0.16 C ATOM 1708 C LEU B 151 -15.137 2.186 -4.656 1.00 0.15 C ATOM 1709 O LEU B 151 -15.905 1.434 -5.254 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.290 3.494 -5.718 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.999 2.493 -6.838 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.935 2.718 -8.011 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.547 2.599 -7.278 1.00 0.18 C ATOM 0 H LEU B 151 -14.033 5.001 -3.926 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.395 3.751 -6.086 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -13.009 4.490 -6.061 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.651 3.258 -4.867 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.169 1.486 -6.457 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.713 1.997 -8.797 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.967 2.591 -7.683 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.799 3.728 -8.396 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.355 1.881 -8.075 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.350 3.607 -7.643 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.894 2.385 -6.432 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.594 1.890 -3.484 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.878 0.637 -2.794 1.00 0.14 C ATOM 1727 C ASN B 152 -16.364 0.508 -2.490 1.00 0.17 C ATOM 1728 O ASN B 152 -16.965 -0.536 -2.737 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.066 0.544 -1.502 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.250 -0.789 -0.807 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.602 -1.773 -1.156 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -15.127 -0.827 0.191 1.00 0.69 N ATOM 0 H ASN B 152 -13.949 2.505 -2.987 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.590 -0.184 -3.451 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.010 0.692 -1.727 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.364 1.347 -0.829 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -15.283 -1.697 0.700 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.644 0.014 0.448 1.00 0.69 H new ATOM 1739 N ASP B 153 -16.952 1.571 -1.952 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.372 1.573 -1.623 1.00 0.23 C ATOM 1741 C ASP B 153 -19.210 1.505 -2.895 1.00 0.25 C ATOM 1742 O ASP B 153 -20.327 0.987 -2.890 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.734 2.823 -0.820 1.00 0.28 C ATOM 1744 CG ASP B 153 -20.181 2.820 -0.368 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -21.044 3.296 -1.136 1.00 2.25 O ATOM 1746 OD2 ASP B 153 -20.451 2.345 0.755 1.00 1.04 O ATOM 0 H ASP B 153 -16.467 2.442 -1.735 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.586 0.695 -1.014 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.084 2.892 0.052 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -18.548 3.709 -1.428 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.659 2.036 -3.982 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.343 2.035 -5.269 1.00 0.28 C ATOM 1753 C ALA B 154 -19.531 0.612 -5.780 1.00 0.30 C ATOM 1754 O ALA B 154 -20.633 0.217 -6.163 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.558 2.858 -6.278 1.00 0.28 C ATOM 0 H ALA B 154 -17.738 2.474 -3.996 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.328 2.483 -5.137 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -19.077 2.851 -7.236 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.470 3.884 -5.921 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.563 2.430 -6.401 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.444 -0.152 -5.783 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.483 -1.535 -6.238 1.00 0.35 C ATOM 1763 C GLN B 155 -19.061 -2.436 -5.154 1.00 0.36 C ATOM 1764 O GLN B 155 -19.534 -3.539 -5.431 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.077 -2.008 -6.612 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.377 -1.101 -7.611 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.986 -1.593 -7.962 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.806 -2.362 -8.904 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -13.993 -1.148 -7.199 1.00 0.39 N ATOM 0 H GLN B 155 -17.525 0.165 -5.475 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.123 -1.590 -7.119 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.472 -2.074 -5.708 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.139 -3.014 -7.028 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.976 -1.035 -8.519 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.310 -0.094 -7.199 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.189 -0.510 -6.427 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.035 -1.444 -7.385 1.00 0.39 H new