USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 21 ASN :FLIP amide:sc= -0.86 F(o=-9.3,f=-5.9) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.06! C(o=-5.9!,f=-14!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.6! C(o=-16!,f=-2.9!) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.3 F(o=-4.5!,f=-2.9) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -139:sc= -1.37 (180deg=-4.22!) USER MOD Set 3.2: B 23 ASN : amide:sc= -7.77! C(o=-9.5!,f=-18!) USER MOD Set 3.3: B 24 SER OG : rot -150:sc= -0.339 USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.632 F(o=-8.5!,f=-2.8) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -2.19! C(o=-6.9!,f=-2.8!) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.3 K(o=-5.8,f=-6.7) USER MOD Set 5.2: A 52 ASN :FLIP amide:sc= -5.51! C(o=-8.2!,f=-5.8!) USER MOD Set 6.1: A 13 THR OG1 : rot 117:sc= -2.23 USER MOD Set 6.2: B 17 MET CE :methyl -124:sc= -11.5! (180deg=-11.9!) USER MOD Single : A 4 LYS NZ :NH3+ -131:sc= -0.422 (180deg=-2.8!) USER MOD Single : A 6 ASN : amide:sc= -1.68 K(o=-1.7,f=-18!) USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= -0.274 (180deg=-4.95!) USER MOD Single : A 18 ASN : amide:sc= -4.68! C(o=-4.7!,f=-5.7!) USER MOD Single : A 23 ASN : amide:sc= -0.836 K(o=-0.84,f=-11!) USER MOD Single : A 33 SER OG : rot 75:sc= 0.896 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 41 SER OG : rot -91:sc= 0.526 USER MOD Single : A 43 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.693 (180deg=-0.865) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= -1.86! (180deg=-1.86!) USER MOD Single : B 6 ASN :FLIP amide:sc= -1.81 F(o=-2.4!,f=-1.8) USER MOD Single : B 7 LYS NZ :NH3+ -116:sc= 0.996 (180deg=-0.0444) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 33 SER OG : rot 87:sc= 0.142 USER MOD Single : B 39 SER OG : rot 180:sc= -0.105 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0366 F(o=-0.74,f=-0.037) USER MOD Single : B 41 SER OG : rot -85:sc= -2.8! USER MOD Single : B 43 ASN :FLIP amide:sc= -0.03 F(o=-0.74,f=-0.03) USER MOD Single : B 49 LYS NZ :NH3+ 150:sc= -0.349 (180deg=-0.998) USER MOD Single : B 50 LYS NZ :NH3+ 175:sc= -2.04! (180deg=-2.17!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.068 -11.306 6.007 1.00 0.00 N ATOM 46 CA LYS A 4 5.479 -10.483 7.063 1.00 0.00 C ATOM 47 C LYS A 4 5.802 -9.014 6.801 1.00 0.00 C ATOM 48 O LYS A 4 4.925 -8.163 6.863 1.00 0.00 O ATOM 49 CB LYS A 4 6.021 -10.896 8.434 1.00 0.00 C ATOM 50 CG LYS A 4 5.169 -10.248 9.529 1.00 0.00 C ATOM 51 CD LYS A 4 5.772 -10.545 10.905 1.00 0.00 C ATOM 52 CE LYS A 4 4.877 -9.938 11.988 1.00 0.00 C ATOM 53 NZ LYS A 4 5.223 -8.499 12.171 1.00 0.00 N ATOM 0 HA LYS A 4 4.399 -10.628 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.000 -11.981 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.061 -10.587 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.116 -9.171 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.149 -10.628 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.862 -11.621 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.777 -10.129 10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.829 -10.038 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.008 -10.477 12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.350 -8.298 13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.105 -8.287 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.456 -7.907 11.794 1.00 0.00 H new ATOM 67 N PHE A 5 7.066 -8.744 6.474 1.00 0.00 N ATOM 68 CA PHE A 5 7.526 -7.391 6.162 1.00 0.00 C ATOM 69 C PHE A 5 6.705 -6.832 5.015 1.00 0.00 C ATOM 70 O PHE A 5 6.222 -5.709 5.069 1.00 0.00 O ATOM 71 CB PHE A 5 8.980 -7.458 5.712 1.00 0.00 C ATOM 72 CG PHE A 5 9.809 -6.343 6.298 1.00 0.00 C ATOM 73 CD1 PHE A 5 10.354 -6.500 7.578 1.00 0.00 C ATOM 74 CD2 PHE A 5 10.083 -5.175 5.554 1.00 0.00 C ATOM 75 CE1 PHE A 5 11.159 -5.504 8.126 1.00 0.00 C ATOM 76 CE2 PHE A 5 10.901 -4.183 6.109 1.00 0.00 C ATOM 77 CZ PHE A 5 11.435 -4.350 7.393 1.00 0.00 C ATOM 0 H PHE A 5 7.797 -9.454 6.418 1.00 0.00 H new ATOM 0 HA PHE A 5 7.422 -6.759 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.406 -8.418 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.025 -7.409 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 5 10.149 -7.397 8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.666 -5.048 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.569 -5.625 9.118 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.120 -3.288 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 5 12.064 -3.581 7.818 1.00 0.00 H new ATOM 87 N ASN A 6 6.562 -7.655 3.977 1.00 0.00 N ATOM 88 CA ASN A 6 5.797 -7.290 2.797 1.00 0.00 C ATOM 89 C ASN A 6 4.361 -7.020 3.201 1.00 0.00 C ATOM 90 O ASN A 6 3.786 -6.007 2.839 1.00 0.00 O ATOM 91 CB ASN A 6 5.863 -8.468 1.821 1.00 0.00 C ATOM 92 CG ASN A 6 5.190 -8.170 0.480 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.761 -7.487 -0.357 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.016 -8.676 0.213 1.00 0.00 N ATOM 0 H ASN A 6 6.973 -8.588 3.935 1.00 0.00 H new ATOM 0 HA ASN A 6 6.199 -6.393 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.906 -8.731 1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.387 -9.337 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.579 -8.501 -0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.536 -9.247 0.909 1.00 0.00 H new ATOM 101 N LYS A 7 3.813 -7.918 4.013 1.00 0.00 N ATOM 102 CA LYS A 7 2.459 -7.769 4.503 1.00 0.00 C ATOM 103 C LYS A 7 2.368 -6.495 5.322 1.00 0.00 C ATOM 104 O LYS A 7 1.413 -5.743 5.213 1.00 0.00 O ATOM 105 CB LYS A 7 2.088 -8.991 5.357 1.00 0.00 C ATOM 106 CG LYS A 7 0.574 -9.041 5.578 1.00 0.00 C ATOM 107 CD LYS A 7 0.190 -10.339 6.302 1.00 0.00 C ATOM 108 CE LYS A 7 -1.044 -10.954 5.634 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.231 -10.085 5.874 1.00 0.00 N ATOM 0 H LYS A 7 4.292 -8.756 4.343 1.00 0.00 H new ATOM 0 HA LYS A 7 1.761 -7.704 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.421 -9.904 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.602 -8.942 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.256 -8.180 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.057 -8.983 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.021 -11.043 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.017 -10.134 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.873 -11.064 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.226 -11.952 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.773 -9.986 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.834 -10.515 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.916 -9.147 6.194 1.00 0.00 H new ATOM 123 N GLU A 8 3.391 -6.258 6.127 1.00 0.00 N ATOM 124 CA GLU A 8 3.440 -5.069 6.961 1.00 0.00 C ATOM 125 C GLU A 8 3.582 -3.811 6.111 1.00 0.00 C ATOM 126 O GLU A 8 2.893 -2.814 6.326 1.00 0.00 O ATOM 127 CB GLU A 8 4.615 -5.178 7.932 1.00 0.00 C ATOM 128 CG GLU A 8 4.278 -6.162 9.061 1.00 0.00 C ATOM 129 CD GLU A 8 5.511 -6.392 9.936 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.408 -7.095 9.492 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.543 -5.865 11.035 1.00 0.00 O ATOM 0 H GLU A 8 4.199 -6.874 6.220 1.00 0.00 H new ATOM 0 HA GLU A 8 2.507 -4.996 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.506 -5.513 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.843 -4.198 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.460 -5.769 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.938 -7.108 8.641 1.00 0.00 H new ATOM 138 N LEU A 9 4.451 -3.907 5.122 1.00 0.00 N ATOM 139 CA LEU A 9 4.690 -2.829 4.168 1.00 0.00 C ATOM 140 C LEU A 9 3.392 -2.525 3.462 1.00 0.00 C ATOM 141 O LEU A 9 3.041 -1.366 3.246 1.00 0.00 O ATOM 142 CB LEU A 9 5.764 -3.294 3.177 1.00 0.00 C ATOM 143 CG LEU A 9 5.905 -2.289 2.026 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.542 -0.976 2.475 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.786 -2.886 0.962 1.00 0.00 C ATOM 0 H LEU A 9 5.017 -4.739 4.953 1.00 0.00 H new ATOM 0 HA LEU A 9 5.039 -1.923 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.719 -3.403 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.501 -4.275 2.781 1.00 0.00 H new ATOM 0 HG LEU A 9 4.902 -2.078 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.619 -0.299 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.925 -0.518 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.537 -1.172 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.893 -2.179 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.768 -3.104 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.337 -3.808 0.593 1.00 0.00 H new ATOM 157 N GLY A 10 2.663 -3.577 3.143 1.00 0.00 N ATOM 158 CA GLY A 10 1.397 -3.429 2.505 1.00 0.00 C ATOM 159 C GLY A 10 0.366 -2.948 3.499 1.00 0.00 C ATOM 160 O GLY A 10 -0.544 -2.199 3.157 1.00 0.00 O ATOM 0 H GLY A 10 2.939 -4.542 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.477 -2.720 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.084 -4.381 2.077 1.00 0.00 H new ATOM 164 N TRP A 11 0.475 -3.416 4.736 1.00 0.00 N ATOM 165 CA TRP A 11 -0.507 -3.033 5.715 1.00 0.00 C ATOM 166 C TRP A 11 -0.432 -1.592 6.121 1.00 0.00 C ATOM 167 O TRP A 11 -1.444 -0.891 6.085 1.00 0.00 O ATOM 168 CB TRP A 11 -0.528 -3.934 6.933 1.00 0.00 C ATOM 169 CG TRP A 11 -1.973 -4.066 7.358 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.386 -4.146 8.630 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.204 -4.087 6.526 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.767 -4.257 8.650 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.314 -4.213 7.383 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.467 -4.021 5.129 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.622 -4.267 6.888 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.761 -4.067 4.631 1.00 0.00 C ATOM 177 CH2 TRP A 11 -5.848 -4.189 5.507 1.00 0.00 C ATOM 0 H TRP A 11 1.211 -4.040 5.068 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.456 -3.166 5.195 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.104 -4.910 6.698 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.074 -3.510 7.737 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.746 -4.127 9.500 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.317 -4.359 9.503 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.640 -3.933 4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.455 -4.368 7.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.931 -4.009 3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.856 -4.223 5.120 1.00 0.00 H new ATOM 188 N ALA A 12 0.742 -1.141 6.503 1.00 0.00 N ATOM 189 CA ALA A 12 0.880 0.231 6.906 1.00 0.00 C ATOM 190 C ALA A 12 0.420 1.130 5.756 1.00 0.00 C ATOM 191 O ALA A 12 -0.240 2.140 5.973 1.00 0.00 O ATOM 192 CB ALA A 12 2.327 0.513 7.298 1.00 0.00 C ATOM 0 H ALA A 12 1.597 -1.696 6.541 1.00 0.00 H new ATOM 0 HA ALA A 12 0.259 0.437 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.425 1.555 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.613 -0.136 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.979 0.321 6.446 1.00 0.00 H new ATOM 198 N THR A 13 0.722 0.700 4.526 1.00 0.00 N ATOM 199 CA THR A 13 0.299 1.415 3.326 1.00 0.00 C ATOM 200 C THR A 13 -1.216 1.574 3.313 1.00 0.00 C ATOM 201 O THR A 13 -1.723 2.667 3.091 1.00 0.00 O ATOM 202 CB THR A 13 0.749 0.601 2.116 1.00 0.00 C ATOM 203 OG1 THR A 13 2.138 0.768 1.949 1.00 0.00 O ATOM 204 CG2 THR A 13 0.013 1.038 0.851 1.00 0.00 C ATOM 0 H THR A 13 1.261 -0.145 4.339 1.00 0.00 H new ATOM 0 HA THR A 13 0.743 2.410 3.303 1.00 0.00 H new ATOM 0 HB THR A 13 0.515 -0.449 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.587 -0.095 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.355 0.440 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.059 0.895 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.217 2.091 0.657 1.00 0.00 H new ATOM 212 N TRP A 14 -1.915 0.473 3.573 1.00 0.00 N ATOM 213 CA TRP A 14 -3.379 0.459 3.604 1.00 0.00 C ATOM 214 C TRP A 14 -3.916 1.351 4.714 1.00 0.00 C ATOM 215 O TRP A 14 -4.865 2.104 4.515 1.00 0.00 O ATOM 216 CB TRP A 14 -3.836 -0.969 3.863 1.00 0.00 C ATOM 217 CG TRP A 14 -5.296 -1.138 3.569 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.257 -1.258 4.511 1.00 0.00 C ATOM 219 CD2 TRP A 14 -5.972 -1.239 2.281 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.473 -1.456 3.890 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.351 -1.450 2.520 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.540 -1.180 0.940 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.253 -1.603 1.475 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.445 -1.334 -0.100 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.794 -1.548 0.164 1.00 0.00 C ATOM 0 H TRP A 14 -1.487 -0.432 3.768 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.755 0.831 2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.257 -1.656 3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.640 -1.233 4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.099 -1.207 5.578 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.354 -1.590 4.386 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.496 -1.014 0.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.301 -1.763 1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.100 -1.287 -1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.488 -1.672 -0.654 1.00 0.00 H new ATOM 236 N GLU A 15 -3.309 1.228 5.888 1.00 0.00 N ATOM 237 CA GLU A 15 -3.726 1.994 7.054 1.00 0.00 C ATOM 238 C GLU A 15 -3.550 3.496 6.801 1.00 0.00 C ATOM 239 O GLU A 15 -4.426 4.295 7.140 1.00 0.00 O ATOM 240 CB GLU A 15 -2.908 1.523 8.261 1.00 0.00 C ATOM 241 CG GLU A 15 -3.236 0.042 8.544 1.00 0.00 C ATOM 242 CD GLU A 15 -2.263 -0.529 9.573 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.513 -0.359 10.755 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.281 -1.128 9.162 1.00 0.00 O ATOM 0 H GLU A 15 -2.522 0.601 6.057 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.784 1.829 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.843 1.641 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.140 2.133 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.258 -0.047 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.178 -0.533 7.620 1.00 0.00 H new ATOM 251 N ILE A 16 -2.442 3.860 6.149 1.00 0.00 N ATOM 252 CA ILE A 16 -2.182 5.260 5.786 1.00 0.00 C ATOM 253 C ILE A 16 -3.201 5.685 4.726 1.00 0.00 C ATOM 254 O ILE A 16 -3.715 6.803 4.736 1.00 0.00 O ATOM 255 CB ILE A 16 -0.751 5.389 5.212 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.285 5.058 6.296 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.501 6.814 4.702 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.684 4.906 5.676 1.00 0.00 C ATOM 0 H ILE A 16 -1.712 3.209 5.862 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.271 5.897 6.666 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.654 4.688 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.298 5.847 7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.005 4.136 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.511 6.885 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.219 7.051 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.617 7.520 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.405 4.672 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.671 4.101 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.969 5.838 5.188 1.00 0.00 H new ATOM 270 N PHE A 17 -3.480 4.747 3.824 1.00 0.00 N ATOM 271 CA PHE A 17 -4.435 4.936 2.734 1.00 0.00 C ATOM 272 C PHE A 17 -5.853 5.116 3.299 1.00 0.00 C ATOM 273 O PHE A 17 -6.675 5.834 2.727 1.00 0.00 O ATOM 274 CB PHE A 17 -4.379 3.684 1.854 1.00 0.00 C ATOM 275 CG PHE A 17 -4.671 3.979 0.404 1.00 0.00 C ATOM 276 CD1 PHE A 17 -5.986 3.955 -0.060 1.00 0.00 C ATOM 277 CD2 PHE A 17 -3.615 4.208 -0.490 1.00 0.00 C ATOM 278 CE1 PHE A 17 -6.254 4.165 -1.411 1.00 0.00 C ATOM 279 CE2 PHE A 17 -3.878 4.406 -1.841 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.197 4.385 -2.304 1.00 0.00 C ATOM 0 H PHE A 17 -3.045 3.824 3.829 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.186 5.826 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.391 3.231 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.098 2.952 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.798 3.773 0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.597 4.231 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.273 4.158 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.065 4.576 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.402 4.539 -3.353 1.00 0.00 H new ATOM 290 N ASN A 18 -6.120 4.438 4.424 1.00 0.00 N ATOM 291 CA ASN A 18 -7.432 4.491 5.084 1.00 0.00 C ATOM 292 C ASN A 18 -7.557 5.684 6.034 1.00 0.00 C ATOM 293 O ASN A 18 -8.599 5.841 6.678 1.00 0.00 O ATOM 294 CB ASN A 18 -7.668 3.201 5.901 1.00 0.00 C ATOM 295 CG ASN A 18 -8.591 2.236 5.155 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.642 2.636 4.657 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.259 0.980 5.055 1.00 0.00 N ATOM 0 H ASN A 18 -5.440 3.843 4.898 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.175 4.594 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.713 2.714 6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.106 3.454 6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.871 0.328 4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.387 0.648 5.468 1.00 0.00 H new ATOM 304 N LEU A 19 -6.520 6.519 6.146 1.00 0.00 N ATOM 305 CA LEU A 19 -6.608 7.656 7.057 1.00 0.00 C ATOM 306 C LEU A 19 -7.613 8.681 6.530 1.00 0.00 C ATOM 307 O LEU A 19 -7.653 8.945 5.326 1.00 0.00 O ATOM 308 CB LEU A 19 -5.247 8.313 7.273 1.00 0.00 C ATOM 309 CG LEU A 19 -4.552 7.690 8.496 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.185 8.305 8.636 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.329 7.981 9.782 1.00 0.00 C ATOM 0 H LEU A 19 -5.641 6.433 5.636 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.951 7.281 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.626 8.184 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.371 9.386 7.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.497 6.612 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.679 7.874 9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.602 8.106 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.283 9.382 8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.814 7.528 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.395 9.059 9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.333 7.564 9.703 1.00 0.00 H new ATOM 323 N PRO A 20 -8.441 9.236 7.389 1.00 0.00 N ATOM 324 CA PRO A 20 -9.492 10.217 6.997 1.00 0.00 C ATOM 325 C PRO A 20 -9.005 11.667 6.939 1.00 0.00 C ATOM 326 O PRO A 20 -9.839 12.579 6.943 1.00 0.00 O ATOM 327 CB PRO A 20 -10.543 10.069 8.125 1.00 0.00 C ATOM 328 CG PRO A 20 -10.007 9.039 9.069 1.00 0.00 C ATOM 329 CD PRO A 20 -8.508 9.018 8.836 1.00 0.00 C ATOM 0 HA PRO A 20 -9.856 10.013 5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.701 11.019 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.507 9.761 7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.240 9.295 10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.448 8.061 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.994 9.801 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.059 8.069 9.130 1.00 0.00 H new ATOM 337 N ASN A 21 -7.682 11.911 6.919 1.00 0.00 N ATOM 338 CA ASN A 21 -7.223 13.313 6.904 1.00 0.00 C ATOM 339 C ASN A 21 -5.976 13.548 6.051 1.00 0.00 C ATOM 340 O ASN A 21 -5.521 14.687 5.935 1.00 0.00 O ATOM 341 CB ASN A 21 -6.963 13.770 8.343 1.00 0.00 C ATOM 342 CG ASN A 21 -8.282 14.012 9.074 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.042 14.906 8.705 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.598 13.267 10.095 1.00 0.00 N ATOM 0 H ASN A 21 -6.948 11.202 6.913 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.017 13.900 6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.381 13.015 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.370 14.684 8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.476 13.425 10.589 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.967 12.526 10.400 1.00 0.00 H new ATOM 351 N LEU A 22 -5.434 12.497 5.451 1.00 0.00 N ATOM 352 CA LEU A 22 -4.244 12.646 4.609 1.00 0.00 C ATOM 353 C LEU A 22 -4.623 12.969 3.174 1.00 0.00 C ATOM 354 O LEU A 22 -5.680 12.550 2.698 1.00 0.00 O ATOM 355 CB LEU A 22 -3.416 11.365 4.637 1.00 0.00 C ATOM 356 CG LEU A 22 -2.989 11.065 6.073 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.207 9.766 6.106 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.089 12.178 6.602 1.00 0.00 C ATOM 0 H LEU A 22 -5.789 11.544 5.526 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.656 13.472 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.998 10.534 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.538 11.473 4.000 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.883 10.990 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.902 9.551 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.834 8.955 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.323 9.858 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.793 11.951 7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.200 12.256 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.630 13.124 6.583 1.00 0.00 H new ATOM 370 N ASN A 23 -3.742 13.697 2.481 1.00 0.00 N ATOM 371 CA ASN A 23 -3.992 14.044 1.088 1.00 0.00 C ATOM 372 C ASN A 23 -3.234 13.076 0.190 1.00 0.00 C ATOM 373 O ASN A 23 -2.347 12.354 0.653 1.00 0.00 O ATOM 374 CB ASN A 23 -3.598 15.507 0.799 1.00 0.00 C ATOM 375 CG ASN A 23 -2.082 15.703 0.796 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.356 14.991 1.477 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.562 16.645 0.061 1.00 0.00 N ATOM 0 H ASN A 23 -2.863 14.051 2.859 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.059 13.958 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.004 15.808 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.046 16.158 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.552 16.788 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.165 17.240 -0.507 1.00 0.00 H new ATOM 384 N GLY A 24 -3.606 13.046 -1.085 1.00 0.00 N ATOM 385 CA GLY A 24 -2.980 12.139 -2.043 1.00 0.00 C ATOM 386 C GLY A 24 -1.456 12.181 -1.970 1.00 0.00 C ATOM 387 O GLY A 24 -0.803 11.158 -2.149 1.00 0.00 O ATOM 0 H GLY A 24 -4.337 13.638 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.323 11.122 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.301 12.401 -3.051 1.00 0.00 H new ATOM 391 N VAL A 25 -0.894 13.362 -1.711 1.00 0.00 N ATOM 392 CA VAL A 25 0.559 13.506 -1.636 1.00 0.00 C ATOM 393 C VAL A 25 1.135 12.878 -0.373 1.00 0.00 C ATOM 394 O VAL A 25 2.098 12.119 -0.462 1.00 0.00 O ATOM 395 CB VAL A 25 0.946 14.982 -1.727 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.460 15.133 -1.534 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.560 15.495 -3.119 1.00 0.00 C ATOM 0 H VAL A 25 -1.416 14.223 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 25 0.987 12.969 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 25 0.430 15.552 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.732 16.187 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.742 14.746 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.983 14.574 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.828 16.548 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.092 14.922 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.514 15.381 -3.264 1.00 0.00 H new ATOM 407 N GLN A 26 0.564 13.183 0.796 1.00 0.00 N ATOM 408 CA GLN A 26 1.081 12.608 2.029 1.00 0.00 C ATOM 409 C GLN A 26 0.970 11.095 1.997 1.00 0.00 C ATOM 410 O GLN A 26 1.916 10.398 2.354 1.00 0.00 O ATOM 411 CB GLN A 26 0.358 13.184 3.242 1.00 0.00 C ATOM 412 CG GLN A 26 1.143 14.406 3.749 1.00 0.00 C ATOM 413 CD GLN A 26 0.188 15.466 4.250 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.424 15.265 5.366 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -0.009 16.496 3.605 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.234 13.808 0.909 1.00 0.00 H new ATOM 0 HA GLN A 26 2.136 12.870 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.659 13.472 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.280 12.432 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.819 14.107 4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.759 14.811 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.480 16.647 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.661 17.199 3.953 1.00 0.00 H new ATOM 424 N VAL A 27 -0.170 10.590 1.524 1.00 0.00 N ATOM 425 CA VAL A 27 -0.352 9.145 1.419 1.00 0.00 C ATOM 426 C VAL A 27 0.686 8.581 0.451 1.00 0.00 C ATOM 427 O VAL A 27 1.336 7.576 0.741 1.00 0.00 O ATOM 428 CB VAL A 27 -1.770 8.806 0.937 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.918 7.284 0.833 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.801 9.345 1.940 1.00 0.00 C ATOM 0 H VAL A 27 -0.965 11.148 1.214 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.218 8.696 2.403 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.939 9.263 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.923 7.039 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.188 6.895 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.748 6.834 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.806 9.103 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.633 8.889 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.697 10.427 2.023 1.00 0.00 H new ATOM 440 N LYS A 28 0.856 9.267 -0.683 1.00 0.00 N ATOM 441 CA LYS A 28 1.844 8.865 -1.684 1.00 0.00 C ATOM 442 C LYS A 28 3.249 8.930 -1.094 1.00 0.00 C ATOM 443 O LYS A 28 4.101 8.116 -1.429 1.00 0.00 O ATOM 444 CB LYS A 28 1.764 9.772 -2.928 1.00 0.00 C ATOM 445 CG LYS A 28 0.611 9.325 -3.842 1.00 0.00 C ATOM 446 CD LYS A 28 0.302 10.423 -4.876 1.00 0.00 C ATOM 447 CE LYS A 28 1.336 10.395 -6.010 1.00 0.00 C ATOM 448 NZ LYS A 28 2.635 10.948 -5.528 1.00 0.00 N ATOM 0 H LYS A 28 0.323 10.101 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 28 1.625 7.840 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.614 10.807 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.706 9.734 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.878 8.399 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.277 9.116 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.698 10.277 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.309 11.400 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.474 9.373 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.975 10.978 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.050 11.552 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.475 11.512 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.287 10.166 -5.313 1.00 0.00 H new ATOM 462 N ALA A 29 3.472 9.912 -0.223 1.00 0.00 N ATOM 463 CA ALA A 29 4.764 10.104 0.416 1.00 0.00 C ATOM 464 C ALA A 29 5.033 9.005 1.404 1.00 0.00 C ATOM 465 O ALA A 29 6.133 8.461 1.449 1.00 0.00 O ATOM 466 CB ALA A 29 4.787 11.428 1.155 1.00 0.00 C ATOM 0 H ALA A 29 2.764 10.591 0.056 1.00 0.00 H new ATOM 0 HA ALA A 29 5.528 10.094 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.759 11.563 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.612 12.241 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.007 11.433 1.916 1.00 0.00 H new ATOM 472 N PHE A 30 4.014 8.671 2.185 1.00 0.00 N ATOM 473 CA PHE A 30 4.142 7.625 3.146 1.00 0.00 C ATOM 474 C PHE A 30 4.386 6.343 2.385 1.00 0.00 C ATOM 475 O PHE A 30 5.232 5.539 2.767 1.00 0.00 O ATOM 476 CB PHE A 30 2.886 7.536 4.006 1.00 0.00 C ATOM 477 CG PHE A 30 2.710 8.810 4.822 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.793 9.344 5.548 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.462 9.463 4.861 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.625 10.510 6.290 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.308 10.626 5.608 1.00 0.00 C ATOM 482 CZ PHE A 30 2.387 11.147 6.317 1.00 0.00 C ATOM 0 H PHE A 30 3.098 9.119 2.159 1.00 0.00 H new ATOM 0 HA PHE A 30 4.973 7.817 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.014 7.379 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.954 6.676 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.753 8.849 5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.625 9.060 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.455 10.921 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.351 11.125 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.263 12.052 6.893 1.00 0.00 H new ATOM 492 N ILE A 31 3.682 6.205 1.252 1.00 0.00 N ATOM 493 CA ILE A 31 3.870 5.056 0.391 1.00 0.00 C ATOM 494 C ILE A 31 5.287 5.067 -0.148 1.00 0.00 C ATOM 495 O ILE A 31 5.973 4.072 -0.112 1.00 0.00 O ATOM 496 CB ILE A 31 2.850 5.048 -0.771 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.490 4.546 -0.243 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.345 4.136 -1.922 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.421 4.641 -1.333 1.00 0.00 C ATOM 0 H ILE A 31 2.986 6.875 0.923 1.00 0.00 H new ATOM 0 HA ILE A 31 3.705 4.150 0.974 1.00 0.00 H new ATOM 0 HB ILE A 31 2.741 6.060 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.583 3.513 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.189 5.137 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.615 4.142 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.301 4.505 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.468 3.118 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.531 4.282 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.315 5.679 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.716 4.030 -2.186 1.00 0.00 H new ATOM 511 N ASP A 32 5.719 6.208 -0.636 1.00 0.00 N ATOM 512 CA ASP A 32 7.063 6.319 -1.185 1.00 0.00 C ATOM 513 C ASP A 32 8.118 6.020 -0.130 1.00 0.00 C ATOM 514 O ASP A 32 9.100 5.329 -0.400 1.00 0.00 O ATOM 515 CB ASP A 32 7.271 7.720 -1.783 1.00 0.00 C ATOM 516 CG ASP A 32 6.634 7.810 -3.172 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.891 6.931 -3.983 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.910 8.764 -3.411 1.00 0.00 O ATOM 0 H ASP A 32 5.170 7.067 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 32 7.173 5.577 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.832 8.471 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.337 7.939 -1.850 1.00 0.00 H new ATOM 523 N SER A 33 7.882 6.512 1.071 1.00 0.00 N ATOM 524 CA SER A 33 8.785 6.268 2.190 1.00 0.00 C ATOM 525 C SER A 33 8.768 4.777 2.517 1.00 0.00 C ATOM 526 O SER A 33 9.798 4.165 2.793 1.00 0.00 O ATOM 527 CB SER A 33 8.334 7.088 3.392 1.00 0.00 C ATOM 528 OG SER A 33 8.418 8.472 3.075 1.00 0.00 O ATOM 0 H SER A 33 7.071 7.086 1.302 1.00 0.00 H new ATOM 0 HA SER A 33 9.801 6.565 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.311 6.826 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.959 6.862 4.256 1.00 0.00 H new ATOM 0 HG SER A 33 7.679 8.717 2.479 1.00 0.00 H new ATOM 534 N LEU A 34 7.567 4.212 2.418 1.00 0.00 N ATOM 535 CA LEU A 34 7.326 2.787 2.628 1.00 0.00 C ATOM 536 C LEU A 34 8.140 1.996 1.604 1.00 0.00 C ATOM 537 O LEU A 34 8.899 1.091 1.942 1.00 0.00 O ATOM 538 CB LEU A 34 5.829 2.545 2.399 1.00 0.00 C ATOM 539 CG LEU A 34 5.073 2.407 3.719 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.794 3.246 3.706 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.698 0.953 3.902 1.00 0.00 C ATOM 0 H LEU A 34 6.724 4.737 2.187 1.00 0.00 H new ATOM 0 HA LEU A 34 7.616 2.474 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.410 3.371 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.693 1.641 1.805 1.00 0.00 H new ATOM 0 HG LEU A 34 5.710 2.756 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.274 3.131 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.049 4.295 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.147 2.911 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.156 0.832 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.065 0.633 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.602 0.344 3.924 1.00 0.00 H new ATOM 553 N ARG A 35 7.967 2.387 0.349 1.00 0.00 N ATOM 554 CA ARG A 35 8.667 1.776 -0.784 1.00 0.00 C ATOM 555 C ARG A 35 10.179 1.906 -0.617 1.00 0.00 C ATOM 556 O ARG A 35 10.926 0.948 -0.828 1.00 0.00 O ATOM 557 CB ARG A 35 8.260 2.499 -2.072 1.00 0.00 C ATOM 558 CG ARG A 35 6.775 2.281 -2.343 1.00 0.00 C ATOM 559 CD ARG A 35 6.320 3.150 -3.515 1.00 0.00 C ATOM 560 NE ARG A 35 6.908 2.672 -4.754 1.00 0.00 N ATOM 561 CZ ARG A 35 6.567 1.506 -5.285 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.736 0.717 -4.661 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.055 1.161 -6.436 1.00 0.00 N ATOM 0 H ARG A 35 7.334 3.141 0.082 1.00 0.00 H new ATOM 0 HA ARG A 35 8.399 0.720 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.470 3.565 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.850 2.127 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.589 1.230 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.196 2.526 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.233 3.132 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.610 4.186 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 35 7.602 3.249 -5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.346 0.996 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.476 -0.179 -5.073 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.696 1.785 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.798 0.266 -6.851 1.00 0.00 H new ATOM 577 N ASP A 36 10.609 3.107 -0.232 1.00 0.00 N ATOM 578 CA ASP A 36 12.024 3.398 -0.023 1.00 0.00 C ATOM 579 C ASP A 36 12.571 2.560 1.122 1.00 0.00 C ATOM 580 O ASP A 36 13.701 2.071 1.070 1.00 0.00 O ATOM 581 CB ASP A 36 12.203 4.879 0.288 1.00 0.00 C ATOM 582 CG ASP A 36 13.689 5.234 0.355 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.262 5.504 -0.688 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.232 5.227 1.448 1.00 0.00 O ATOM 0 H ASP A 36 9.991 3.899 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 36 12.573 3.151 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.713 5.480 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.722 5.119 1.236 1.00 0.00 H new ATOM 589 N ASP A 37 11.744 2.400 2.150 1.00 0.00 N ATOM 590 CA ASP A 37 12.114 1.621 3.318 1.00 0.00 C ATOM 591 C ASP A 37 10.866 1.068 3.993 1.00 0.00 C ATOM 592 O ASP A 37 10.153 1.789 4.697 1.00 0.00 O ATOM 593 CB ASP A 37 12.920 2.479 4.299 1.00 0.00 C ATOM 594 CG ASP A 37 13.323 1.641 5.511 1.00 0.00 C ATOM 595 OD1 ASP A 37 14.292 0.908 5.407 1.00 0.00 O ATOM 596 OD2 ASP A 37 12.649 1.737 6.518 1.00 0.00 O ATOM 0 H ASP A 37 10.808 2.804 2.194 1.00 0.00 H new ATOM 0 HA ASP A 37 12.738 0.786 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.809 2.873 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.327 3.336 4.619 1.00 0.00 H new ATOM 601 N PRO A 38 10.583 -0.194 3.775 1.00 0.00 N ATOM 602 CA PRO A 38 9.390 -0.854 4.360 1.00 0.00 C ATOM 603 C PRO A 38 9.483 -1.000 5.876 1.00 0.00 C ATOM 604 O PRO A 38 8.466 -1.088 6.560 1.00 0.00 O ATOM 605 CB PRO A 38 9.319 -2.215 3.676 1.00 0.00 C ATOM 606 CG PRO A 38 10.462 -2.312 2.718 1.00 0.00 C ATOM 607 CD PRO A 38 11.377 -1.121 2.953 1.00 0.00 C ATOM 0 HA PRO A 38 8.492 -0.258 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.372 -3.015 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.371 -2.328 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.006 -3.245 2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.098 -2.316 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.292 -1.420 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.675 -0.659 2.012 1.00 0.00 H new ATOM 615 N SER A 39 10.707 -1.007 6.392 1.00 0.00 N ATOM 616 CA SER A 39 10.922 -1.116 7.833 1.00 0.00 C ATOM 617 C SER A 39 10.254 0.066 8.518 1.00 0.00 C ATOM 618 O SER A 39 9.760 -0.039 9.642 1.00 0.00 O ATOM 619 CB SER A 39 12.420 -1.116 8.153 1.00 0.00 C ATOM 620 OG SER A 39 12.621 -1.631 9.463 1.00 0.00 O ATOM 0 H SER A 39 11.562 -0.939 5.839 1.00 0.00 H new ATOM 0 HA SER A 39 10.492 -2.051 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.959 -1.722 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.819 -0.104 8.083 1.00 0.00 H new ATOM 0 HG SER A 39 13.579 -1.634 9.670 1.00 0.00 H new ATOM 626 N GLN A 40 10.245 1.189 7.804 1.00 0.00 N ATOM 627 CA GLN A 40 9.643 2.414 8.297 1.00 0.00 C ATOM 628 C GLN A 40 8.132 2.425 8.083 1.00 0.00 C ATOM 629 O GLN A 40 7.466 3.354 8.500 1.00 0.00 O ATOM 630 CB GLN A 40 10.257 3.623 7.579 1.00 0.00 C ATOM 631 CG GLN A 40 11.527 4.063 8.301 1.00 0.00 C ATOM 632 CD GLN A 40 12.260 5.112 7.474 1.00 0.00 C ATOM 633 OE1 GLN A 40 13.188 4.734 6.645 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 11.975 6.304 7.586 1.00 0.00 N flip ATOM 0 H GLN A 40 10.654 1.270 6.873 1.00 0.00 H new ATOM 0 HA GLN A 40 9.841 2.469 9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.486 3.365 6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.540 4.444 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.276 4.470 9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.175 3.203 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.246 6.595 8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.467 7.001 7.027 1.00 0.00 H new ATOM 643 N SER A 41 7.591 1.412 7.417 1.00 0.00 N ATOM 644 CA SER A 41 6.155 1.382 7.131 1.00 0.00 C ATOM 645 C SER A 41 5.323 1.675 8.380 1.00 0.00 C ATOM 646 O SER A 41 4.311 2.373 8.308 1.00 0.00 O ATOM 647 CB SER A 41 5.782 -0.009 6.611 1.00 0.00 C ATOM 648 OG SER A 41 5.922 -0.963 7.658 1.00 0.00 O ATOM 0 H SER A 41 8.113 0.609 7.067 1.00 0.00 H new ATOM 0 HA SER A 41 5.942 2.151 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.757 -0.007 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.423 -0.279 5.772 1.00 0.00 H new ATOM 0 HG SER A 41 6.829 -1.333 7.644 1.00 0.00 H new ATOM 654 N ALA A 42 5.782 1.174 9.517 1.00 0.00 N ATOM 655 CA ALA A 42 5.106 1.406 10.787 1.00 0.00 C ATOM 656 C ALA A 42 5.242 2.861 11.186 1.00 0.00 C ATOM 657 O ALA A 42 4.311 3.487 11.691 1.00 0.00 O ATOM 658 CB ALA A 42 5.777 0.566 11.859 1.00 0.00 C ATOM 0 H ALA A 42 6.623 0.602 9.587 1.00 0.00 H new ATOM 0 HA ALA A 42 4.053 1.144 10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.280 0.731 12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.708 -0.488 11.591 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.826 0.851 11.942 1.00 0.00 H new ATOM 664 N ASN A 43 6.441 3.367 10.952 1.00 0.00 N ATOM 665 CA ASN A 43 6.795 4.729 11.267 1.00 0.00 C ATOM 666 C ASN A 43 6.050 5.708 10.372 1.00 0.00 C ATOM 667 O ASN A 43 5.685 6.798 10.782 1.00 0.00 O ATOM 668 CB ASN A 43 8.297 4.874 11.054 1.00 0.00 C ATOM 669 CG ASN A 43 9.056 4.363 12.275 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.056 5.008 13.323 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.701 3.232 12.202 1.00 0.00 N ATOM 0 H ASN A 43 7.201 2.832 10.532 1.00 0.00 H new ATOM 0 HA ASN A 43 6.522 4.953 12.298 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.601 4.316 10.168 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.546 5.920 10.873 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.207 2.880 13.015 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.699 2.699 11.332 1.00 0.00 H new ATOM 678 N LEU A 44 5.853 5.285 9.141 1.00 0.00 N ATOM 679 CA LEU A 44 5.174 6.065 8.123 1.00 0.00 C ATOM 680 C LEU A 44 3.714 6.073 8.409 1.00 0.00 C ATOM 681 O LEU A 44 3.030 7.081 8.272 1.00 0.00 O ATOM 682 CB LEU A 44 5.510 5.421 6.794 1.00 0.00 C ATOM 683 CG LEU A 44 7.029 5.497 6.685 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.566 4.536 5.643 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.384 6.922 6.367 1.00 0.00 C ATOM 0 H LEU A 44 6.166 4.372 8.812 1.00 0.00 H new ATOM 0 HA LEU A 44 5.492 7.108 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.164 4.388 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.029 5.947 5.969 1.00 0.00 H new ATOM 0 HG LEU A 44 7.490 5.196 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.652 4.620 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.293 3.516 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.140 4.780 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.466 7.017 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.918 7.211 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.025 7.573 7.164 1.00 0.00 H new ATOM 697 N LEU A 45 3.290 4.941 8.890 1.00 0.00 N ATOM 698 CA LEU A 45 1.928 4.767 9.327 1.00 0.00 C ATOM 699 C LEU A 45 1.724 5.676 10.531 1.00 0.00 C ATOM 700 O LEU A 45 0.683 6.306 10.701 1.00 0.00 O ATOM 701 CB LEU A 45 1.703 3.296 9.687 1.00 0.00 C ATOM 702 CG LEU A 45 0.414 3.120 10.491 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.777 3.701 9.721 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.208 1.627 10.743 1.00 0.00 C ATOM 0 H LEU A 45 3.874 4.111 8.992 1.00 0.00 H new ATOM 0 HA LEU A 45 1.212 5.029 8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.653 2.699 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.550 2.926 10.265 1.00 0.00 H new ATOM 0 HG LEU A 45 0.490 3.651 11.440 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.688 3.569 10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.612 4.764 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.880 3.185 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.707 1.478 11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.129 1.105 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.055 1.232 11.304 1.00 0.00 H new ATOM 716 N ALA A 46 2.774 5.756 11.334 1.00 0.00 N ATOM 717 CA ALA A 46 2.780 6.605 12.509 1.00 0.00 C ATOM 718 C ALA A 46 2.733 8.058 12.090 1.00 0.00 C ATOM 719 O ALA A 46 1.951 8.852 12.609 1.00 0.00 O ATOM 720 CB ALA A 46 4.065 6.381 13.299 1.00 0.00 C ATOM 0 H ALA A 46 3.640 5.236 11.188 1.00 0.00 H new ATOM 0 HA ALA A 46 1.912 6.360 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.066 7.021 14.181 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.125 5.337 13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.924 6.624 12.673 1.00 0.00 H new ATOM 726 N GLU A 47 3.579 8.372 11.120 1.00 0.00 N ATOM 727 CA GLU A 47 3.672 9.698 10.569 1.00 0.00 C ATOM 728 C GLU A 47 2.361 10.076 9.944 1.00 0.00 C ATOM 729 O GLU A 47 1.927 11.214 10.018 1.00 0.00 O ATOM 730 CB GLU A 47 4.722 9.699 9.469 1.00 0.00 C ATOM 731 CG GLU A 47 6.146 9.802 10.011 1.00 0.00 C ATOM 732 CD GLU A 47 6.304 10.994 10.960 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.869 12.081 10.606 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.861 10.802 12.028 1.00 0.00 O ATOM 0 H GLU A 47 4.221 7.702 10.696 1.00 0.00 H new ATOM 0 HA GLU A 47 3.932 10.399 11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.627 8.786 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.534 10.534 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.403 8.882 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.845 9.902 9.181 1.00 0.00 H new ATOM 741 N ALA A 48 1.747 9.093 9.315 1.00 0.00 N ATOM 742 CA ALA A 48 0.500 9.291 8.657 1.00 0.00 C ATOM 743 C ALA A 48 -0.567 9.602 9.676 1.00 0.00 C ATOM 744 O ALA A 48 -1.279 10.583 9.534 1.00 0.00 O ATOM 745 CB ALA A 48 0.187 8.026 7.894 1.00 0.00 C ATOM 0 H ALA A 48 2.109 8.142 9.254 1.00 0.00 H new ATOM 0 HA ALA A 48 0.543 10.133 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.765 8.140 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.976 7.835 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.123 7.188 8.589 1.00 0.00 H new ATOM 751 N LYS A 49 -0.627 8.796 10.734 1.00 0.00 N ATOM 752 CA LYS A 49 -1.578 9.039 11.809 1.00 0.00 C ATOM 753 C LYS A 49 -1.310 10.408 12.405 1.00 0.00 C ATOM 754 O LYS A 49 -2.233 11.087 12.844 1.00 0.00 O ATOM 755 CB LYS A 49 -1.464 7.952 12.881 1.00 0.00 C ATOM 756 CG LYS A 49 -2.059 6.646 12.341 1.00 0.00 C ATOM 757 CD LYS A 49 -1.971 5.548 13.407 1.00 0.00 C ATOM 758 CE LYS A 49 -2.557 4.246 12.849 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.660 3.104 13.191 1.00 0.00 N ATOM 0 H LYS A 49 -0.033 7.977 10.867 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.592 9.010 11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.420 7.803 13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.991 8.259 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.099 6.802 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.523 6.337 11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.933 5.395 13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.515 5.850 14.302 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.551 4.077 13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.670 4.321 11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.944 2.264 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.678 3.352 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.732 2.899 14.208 1.00 0.00 H new ATOM 773 N LYS A 50 -0.039 10.822 12.383 1.00 0.00 N ATOM 774 CA LYS A 50 0.326 12.123 12.891 1.00 0.00 C ATOM 775 C LYS A 50 -0.103 13.205 11.922 1.00 0.00 C ATOM 776 O LYS A 50 -0.580 14.264 12.331 1.00 0.00 O ATOM 777 CB LYS A 50 1.833 12.190 13.160 1.00 0.00 C ATOM 778 CG LYS A 50 2.156 11.444 14.465 1.00 0.00 C ATOM 779 CD LYS A 50 3.564 11.811 14.950 1.00 0.00 C ATOM 780 CE LYS A 50 4.617 11.388 13.918 1.00 0.00 C ATOM 781 NZ LYS A 50 4.603 9.905 13.755 1.00 0.00 N ATOM 0 H LYS A 50 0.739 10.272 12.020 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.192 12.289 13.836 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.381 11.745 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.154 13.229 13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.422 11.699 15.229 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.088 10.368 14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.627 12.885 15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.765 11.323 15.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.415 11.869 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.605 11.718 14.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.342 9.623 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.783 9.453 14.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.674 9.604 13.397 1.00 0.00 H new ATOM 795 N LEU A 51 0.057 12.920 10.636 1.00 0.00 N ATOM 796 CA LEU A 51 -0.330 13.862 9.603 1.00 0.00 C ATOM 797 C LEU A 51 -1.843 13.963 9.541 1.00 0.00 C ATOM 798 O LEU A 51 -2.402 15.053 9.433 1.00 0.00 O ATOM 799 CB LEU A 51 0.228 13.439 8.238 1.00 0.00 C ATOM 800 CG LEU A 51 1.547 14.169 7.936 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.357 15.688 8.054 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.646 13.697 8.901 1.00 0.00 C ATOM 0 H LEU A 51 0.451 12.046 10.288 1.00 0.00 H new ATOM 0 HA LEU A 51 0.087 14.838 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.393 12.362 8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.501 13.659 7.458 1.00 0.00 H new ATOM 0 HG LEU A 51 1.849 13.934 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.300 16.191 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.599 16.016 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.037 15.937 9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.576 14.221 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.346 13.911 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.797 12.624 8.784 1.00 0.00 H new ATOM 814 N ASN A 52 -2.492 12.807 9.635 1.00 0.00 N ATOM 815 CA ASN A 52 -3.931 12.732 9.619 1.00 0.00 C ATOM 816 C ASN A 52 -4.460 13.463 10.839 1.00 0.00 C ATOM 817 O ASN A 52 -5.387 14.261 10.746 1.00 0.00 O ATOM 818 CB ASN A 52 -4.348 11.251 9.637 1.00 0.00 C ATOM 819 CG ASN A 52 -5.274 10.931 10.801 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.543 11.059 10.633 1.00 0.00 O flip ATOM 821 ND2 ASN A 52 -4.824 10.554 11.881 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.028 11.903 9.724 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.342 13.197 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.846 11.004 8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.458 10.625 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.817 10.455 12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.458 10.340 12.651 1.00 0.00 H new ATOM 828 N ASP A 53 -3.837 13.177 11.981 1.00 0.00 N ATOM 829 CA ASP A 53 -4.223 13.807 13.231 1.00 0.00 C ATOM 830 C ASP A 53 -3.995 15.311 13.147 1.00 0.00 C ATOM 831 O ASP A 53 -4.816 16.104 13.610 1.00 0.00 O ATOM 832 CB ASP A 53 -3.433 13.218 14.400 1.00 0.00 C ATOM 833 CG ASP A 53 -3.855 13.881 15.712 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.834 13.438 16.288 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.196 14.825 16.114 1.00 0.00 O ATOM 0 H ASP A 53 -3.066 12.514 12.061 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.282 13.616 13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.602 12.143 14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.365 13.365 14.237 1.00 0.00 H new ATOM 840 N ALA A 54 -2.875 15.688 12.533 1.00 0.00 N ATOM 841 CA ALA A 54 -2.538 17.088 12.359 1.00 0.00 C ATOM 842 C ALA A 54 -3.579 17.747 11.459 1.00 0.00 C ATOM 843 O ALA A 54 -3.981 18.889 11.685 1.00 0.00 O ATOM 844 CB ALA A 54 -1.148 17.210 11.732 1.00 0.00 C ATOM 0 H ALA A 54 -2.189 15.038 12.149 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.531 17.587 13.328 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.898 18.263 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.412 16.740 12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.142 16.714 10.761 1.00 0.00 H new ATOM 850 N GLN A 55 -4.017 16.994 10.447 1.00 0.00 N ATOM 851 CA GLN A 55 -5.025 17.472 9.508 1.00 0.00 C ATOM 852 C GLN A 55 -6.438 17.189 10.032 1.00 0.00 C ATOM 853 O GLN A 55 -7.428 17.553 9.393 1.00 0.00 O ATOM 854 CB GLN A 55 -4.811 16.776 8.166 1.00 0.00 C ATOM 855 CG GLN A 55 -3.559 17.345 7.487 1.00 0.00 C ATOM 856 CD GLN A 55 -3.171 16.469 6.305 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.822 15.235 6.519 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.189 16.917 5.159 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.686 16.048 10.260 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.925 18.551 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.700 15.702 8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.682 16.921 7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.748 18.364 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.737 17.393 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.463 17.886 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.930 16.320 4.374 1.00 0.00 H new ATOM 867 N ALA A 56 -6.520 16.540 11.197 1.00 0.00 N ATOM 868 CA ALA A 56 -7.808 16.211 11.805 1.00 0.00 C ATOM 869 C ALA A 56 -8.442 17.453 12.415 1.00 0.00 C ATOM 870 O ALA A 56 -7.736 18.321 12.926 1.00 0.00 O ATOM 871 CB ALA A 56 -7.630 15.132 12.883 1.00 0.00 C ATOM 0 H ALA A 56 -5.710 16.233 11.736 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.466 15.827 11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.598 14.898 13.327 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.210 14.233 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.955 15.499 13.657 1.00 0.00 H new ATOM 981 N PHE B 5 -10.360 -11.940 1.707 1.00 0.00 N ATOM 982 CA PHE B 5 -9.155 -11.457 1.053 1.00 0.00 C ATOM 983 C PHE B 5 -8.482 -10.313 1.809 1.00 0.00 C ATOM 984 O PHE B 5 -7.480 -9.805 1.340 1.00 0.00 O ATOM 985 CB PHE B 5 -9.494 -11.009 -0.377 1.00 0.00 C ATOM 986 CG PHE B 5 -9.423 -12.199 -1.301 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.030 -13.405 -0.931 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.744 -12.100 -2.521 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.960 -14.511 -1.782 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.673 -13.206 -3.371 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.280 -14.413 -3.002 1.00 0.00 C ATOM 0 HA PHE B 5 -8.444 -12.283 1.037 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.491 -10.570 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.797 -10.238 -0.704 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.552 -13.480 0.011 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -8.275 -11.169 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.430 -15.441 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.150 -13.130 -4.313 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.224 -15.269 -3.659 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.000 -9.918 2.976 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.358 -8.841 3.744 1.00 0.00 C ATOM 1003 C ASN B 6 -6.893 -9.204 3.962 1.00 0.00 C ATOM 1004 O ASN B 6 -6.006 -8.392 3.719 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.052 -8.654 5.102 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.629 -7.329 5.743 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.362 -7.016 5.820 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.475 -6.554 6.185 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.838 -10.313 3.402 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.438 -7.906 3.189 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.134 -8.672 4.970 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.798 -9.482 5.764 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.465 -6.793 6.128 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.187 -5.672 6.609 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.660 -10.449 4.373 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.305 -10.949 4.582 1.00 0.00 C ATOM 1017 C LYS B 7 -4.534 -10.909 3.263 1.00 0.00 C ATOM 1018 O LYS B 7 -3.407 -10.418 3.197 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.386 -12.397 5.100 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.005 -13.083 5.040 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.998 -14.164 3.950 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.735 -15.418 4.436 1.00 0.00 C ATOM 1023 NZ LYS B 7 -4.994 -16.318 3.275 1.00 0.00 N ATOM 0 H LYS B 7 -7.394 -11.130 4.568 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.786 -10.327 5.311 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.753 -12.400 6.126 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.103 -12.961 4.503 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.232 -12.343 4.834 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.770 -13.529 6.006 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.474 -13.782 3.047 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -2.971 -14.417 3.687 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -4.139 -15.936 5.187 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.675 -15.140 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -6.020 -16.408 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -4.556 -15.918 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -4.588 -17.256 3.466 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.177 -11.437 2.226 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.606 -11.499 0.883 1.00 0.00 C ATOM 1039 C GLU B 8 -4.363 -10.107 0.307 1.00 0.00 C ATOM 1040 O GLU B 8 -3.412 -9.890 -0.450 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.588 -12.262 -0.021 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.615 -13.747 0.380 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.259 -14.411 0.104 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.757 -14.263 -0.999 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.746 -15.061 1.000 1.00 0.00 O ATOM 0 H GLU B 8 -6.113 -11.836 2.293 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.643 -12.006 0.934 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.586 -11.833 0.067 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.289 -12.162 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.861 -13.838 1.438 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.398 -14.264 -0.175 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.240 -9.179 0.665 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.167 -7.816 0.194 1.00 0.00 C ATOM 1054 C ARG B 9 -3.918 -7.126 0.736 1.00 0.00 C ATOM 1055 O ARG B 9 -3.236 -6.403 0.018 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.419 -7.069 0.660 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.432 -5.657 0.081 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.751 -4.977 0.438 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.808 -4.726 1.876 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.965 -4.674 2.527 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.024 -4.192 1.942 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.038 -5.105 3.751 1.00 0.00 N ATOM 0 H ARG B 9 -6.023 -9.358 1.293 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.111 -7.812 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.312 -7.608 0.345 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.441 -7.024 1.749 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.595 -5.082 0.476 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.310 -5.694 -1.002 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.846 -4.038 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.588 -5.607 0.137 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.939 -4.587 2.392 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.966 -3.853 0.982 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.911 -4.153 2.444 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.208 -5.482 4.209 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.925 -5.066 4.253 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.638 -7.370 2.017 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.481 -6.774 2.690 1.00 0.00 C ATOM 1078 C VAL B 10 -1.191 -7.176 1.987 1.00 0.00 C ATOM 1079 O VAL B 10 -0.255 -6.382 1.876 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.403 -7.250 4.150 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.319 -6.464 4.896 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.769 -7.110 4.852 1.00 0.00 C ATOM 0 H VAL B 10 -4.199 -7.979 2.612 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.600 -5.691 2.658 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.138 -8.307 4.159 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.268 -6.806 5.930 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.355 -6.625 4.413 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.561 -5.401 4.876 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.685 -7.454 5.883 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.078 -6.065 4.842 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.511 -7.713 4.328 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.149 -8.427 1.546 1.00 0.00 N ATOM 1093 CA ILE B 11 0.029 -8.969 0.885 1.00 0.00 C ATOM 1094 C ILE B 11 0.260 -8.296 -0.463 1.00 0.00 C ATOM 1095 O ILE B 11 1.403 -8.002 -0.817 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.114 -10.486 0.716 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.684 -11.090 2.027 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.266 -11.087 0.398 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.123 -12.313 2.494 1.00 0.00 C ATOM 0 H ILE B 11 -1.921 -9.087 1.635 1.00 0.00 H new ATOM 0 HA ILE B 11 0.898 -8.766 1.510 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.796 -10.715 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.678 -10.331 2.809 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.723 -11.379 1.872 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.174 -12.166 0.276 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.650 -10.649 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.954 -10.872 1.216 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.310 -12.705 3.415 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.095 -13.083 1.723 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.157 -12.019 2.676 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.821 -8.032 -1.209 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.699 -7.377 -2.484 1.00 0.00 C ATOM 1113 C ALA B 12 -0.163 -5.997 -2.272 1.00 0.00 C ATOM 1114 O ALA B 12 0.831 -5.634 -2.874 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.076 -7.281 -3.129 1.00 0.00 C ATOM 0 H ALA B 12 -1.776 -8.267 -0.940 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.027 -7.943 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -1.991 -6.785 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.483 -8.282 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.741 -6.706 -2.484 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.777 -5.275 -1.342 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.329 -3.932 -1.005 1.00 0.00 C ATOM 1123 C ILE B 13 1.121 -4.038 -0.603 1.00 0.00 C ATOM 1124 O ILE B 13 1.920 -3.160 -0.860 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.174 -3.398 0.164 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.643 -3.450 -0.214 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.841 -1.942 0.473 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.493 -3.363 1.040 1.00 0.00 C ATOM 0 H ILE B 13 -1.585 -5.598 -0.809 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.439 -3.248 -1.847 1.00 0.00 H new ATOM 0 HB ILE B 13 -0.958 -4.017 1.035 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.885 -2.628 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.859 -4.375 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.456 -1.597 1.304 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.212 -1.859 0.742 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.041 -1.329 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.548 -3.400 0.768 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.258 -4.200 1.698 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.285 -2.426 1.557 1.00 0.00 H new ATOM 1140 N GLY B 14 1.446 -5.161 -0.003 1.00 0.00 N ATOM 1141 CA GLY B 14 2.801 -5.427 0.410 1.00 0.00 C ATOM 1142 C GLY B 14 3.743 -5.578 -0.773 1.00 0.00 C ATOM 1143 O GLY B 14 4.842 -5.029 -0.768 1.00 0.00 O ATOM 0 H GLY B 14 0.784 -5.907 0.210 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.150 -4.616 1.049 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.824 -6.337 1.009 1.00 0.00 H new ATOM 1147 N GLU B 15 3.316 -6.337 -1.777 1.00 0.00 N ATOM 1148 CA GLU B 15 4.141 -6.583 -2.947 1.00 0.00 C ATOM 1149 C GLU B 15 4.270 -5.341 -3.793 1.00 0.00 C ATOM 1150 O GLU B 15 5.346 -5.038 -4.290 1.00 0.00 O ATOM 1151 CB GLU B 15 3.518 -7.706 -3.777 1.00 0.00 C ATOM 1152 CG GLU B 15 4.520 -8.304 -4.786 1.00 0.00 C ATOM 1153 CD GLU B 15 5.938 -8.369 -4.208 1.00 0.00 C ATOM 1154 OE1 GLU B 15 6.162 -9.184 -3.327 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.776 -7.595 -4.648 1.00 0.00 O ATOM 0 H GLU B 15 2.403 -6.791 -1.801 1.00 0.00 H new ATOM 0 HA GLU B 15 5.137 -6.872 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU B 15 3.160 -8.492 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.650 -7.322 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU B 15 4.197 -9.306 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.525 -7.702 -5.694 1.00 0.00 H new ATOM 1162 N ILE B 16 3.156 -4.639 -3.967 1.00 0.00 N ATOM 1163 CA ILE B 16 3.163 -3.428 -4.804 1.00 0.00 C ATOM 1164 C ILE B 16 4.184 -2.442 -4.262 1.00 0.00 C ATOM 1165 O ILE B 16 5.055 -1.957 -4.984 1.00 0.00 O ATOM 1166 CB ILE B 16 1.784 -2.746 -4.778 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.689 -3.828 -4.737 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.630 -1.821 -5.995 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.397 -3.589 -5.743 1.00 0.00 C ATOM 0 H ILE B 16 2.253 -4.873 -3.554 1.00 0.00 H new ATOM 0 HA ILE B 16 3.411 -3.720 -5.824 1.00 0.00 H new ATOM 0 HB ILE B 16 1.687 -2.126 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE B 16 1.140 -4.803 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.253 -3.861 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.651 -1.343 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.407 -1.057 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.723 -2.406 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.142 -4.382 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.870 -2.627 -5.546 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.030 -3.584 -6.746 1.00 0.00 H new ATOM 1181 N MET B 17 4.070 -2.188 -2.974 1.00 0.00 N ATOM 1182 CA MET B 17 4.981 -1.299 -2.270 1.00 0.00 C ATOM 1183 C MET B 17 6.416 -1.825 -2.383 1.00 0.00 C ATOM 1184 O MET B 17 7.363 -1.047 -2.508 1.00 0.00 O ATOM 1185 CB MET B 17 4.524 -1.213 -0.828 1.00 0.00 C ATOM 1186 CG MET B 17 3.073 -0.703 -0.809 1.00 0.00 C ATOM 1187 SD MET B 17 3.033 1.021 -1.294 1.00 0.00 S ATOM 1188 CE MET B 17 3.950 1.622 0.123 1.00 0.00 C ATOM 0 H MET B 17 3.343 -2.591 -2.382 1.00 0.00 H new ATOM 0 HA MET B 17 4.972 -0.301 -2.708 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.589 -2.191 -0.351 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.170 -0.540 -0.265 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.460 -1.296 -1.488 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.649 -0.820 0.188 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.365 2.384 0.638 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.149 0.795 0.805 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.894 2.053 -0.211 1.00 0.00 H new ATOM 1198 N ARG B 18 6.558 -3.158 -2.381 1.00 0.00 N ATOM 1199 CA ARG B 18 7.863 -3.796 -2.524 1.00 0.00 C ATOM 1200 C ARG B 18 8.398 -3.659 -3.951 1.00 0.00 C ATOM 1201 O ARG B 18 9.607 -3.521 -4.146 1.00 0.00 O ATOM 1202 CB ARG B 18 7.765 -5.262 -2.143 1.00 0.00 C ATOM 1203 CG ARG B 18 7.949 -5.402 -0.626 1.00 0.00 C ATOM 1204 CD ARG B 18 8.925 -6.524 -0.340 1.00 0.00 C ATOM 1205 NE ARG B 18 8.363 -7.805 -0.756 1.00 0.00 N ATOM 1206 CZ ARG B 18 9.046 -8.646 -1.523 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.831 -9.531 -0.980 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.930 -8.583 -2.819 1.00 0.00 N ATOM 0 H ARG B 18 5.781 -3.811 -2.281 1.00 0.00 H new ATOM 0 HA ARG B 18 8.561 -3.293 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.797 -5.664 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.526 -5.838 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.319 -4.467 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.991 -5.608 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.862 -6.343 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.157 -6.550 0.725 1.00 0.00 H new ATOM 0 HE ARG B 18 7.424 -8.060 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.921 -9.578 0.035 1.00 0.00 H new ATOM 0 HH12 ARG B 18 10.356 -10.177 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG B 18 8.315 -7.888 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.454 -9.228 -3.410 1.00 0.00 H new ATOM 1222 N LEU B 19 7.494 -3.690 -4.945 1.00 0.00 N ATOM 1223 CA LEU B 19 7.901 -3.559 -6.348 1.00 0.00 C ATOM 1224 C LEU B 19 8.675 -2.256 -6.526 1.00 0.00 C ATOM 1225 O LEU B 19 8.114 -1.178 -6.350 1.00 0.00 O ATOM 1226 CB LEU B 19 6.676 -3.542 -7.278 1.00 0.00 C ATOM 1227 CG LEU B 19 6.007 -4.921 -7.377 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.677 -4.776 -8.111 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.890 -5.882 -8.158 1.00 0.00 C ATOM 0 H LEU B 19 6.490 -3.803 -4.803 1.00 0.00 H new ATOM 0 HA LEU B 19 8.526 -4.414 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.953 -2.814 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.981 -3.215 -8.272 1.00 0.00 H new ATOM 0 HG LEU B 19 5.851 -5.311 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.195 -5.751 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.030 -4.093 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.855 -4.381 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.403 -6.855 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.052 -5.492 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.849 -5.988 -7.651 1.00 0.00 H new ATOM 1241 N PRO B 20 9.950 -2.331 -6.838 1.00 0.00 N ATOM 1242 CA PRO B 20 10.807 -1.126 -7.001 1.00 0.00 C ATOM 1243 C PRO B 20 10.604 -0.376 -8.322 1.00 0.00 C ATOM 1244 O PRO B 20 11.192 0.692 -8.510 1.00 0.00 O ATOM 1245 CB PRO B 20 12.239 -1.678 -6.905 1.00 0.00 C ATOM 1246 CG PRO B 20 12.138 -3.150 -6.683 1.00 0.00 C ATOM 1247 CD PRO B 20 10.731 -3.557 -7.071 1.00 0.00 C ATOM 0 HA PRO B 20 10.563 -0.381 -6.244 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.794 -1.465 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.779 -1.203 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.874 -3.683 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.338 -3.398 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.677 -3.877 -8.111 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.370 -4.386 -6.463 1.00 0.00 H new ATOM 1255 N ASN B 21 9.803 -0.928 -9.242 1.00 0.00 N ATOM 1256 CA ASN B 21 9.593 -0.272 -10.535 1.00 0.00 C ATOM 1257 C ASN B 21 8.251 0.463 -10.602 1.00 0.00 C ATOM 1258 O ASN B 21 8.061 1.306 -11.481 1.00 0.00 O ATOM 1259 CB ASN B 21 9.684 -1.298 -11.666 1.00 0.00 C ATOM 1260 CG ASN B 21 11.003 -2.064 -11.592 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.024 -3.326 -11.905 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.041 -1.497 -11.249 1.00 0.00 N flip ATOM 0 H ASN B 21 9.301 -1.807 -9.119 1.00 0.00 H new ATOM 0 HA ASN B 21 10.379 0.474 -10.651 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.848 -1.995 -11.600 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.604 -0.794 -12.629 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.024 -0.507 -11.004 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.917 -2.017 -11.210 1.00 0.00 H new ATOM 1269 N LEU B 22 7.317 0.157 -9.685 1.00 0.00 N ATOM 1270 CA LEU B 22 6.014 0.834 -9.705 1.00 0.00 C ATOM 1271 C LEU B 22 6.126 2.293 -9.287 1.00 0.00 C ATOM 1272 O LEU B 22 7.048 2.693 -8.576 1.00 0.00 O ATOM 1273 CB LEU B 22 4.981 0.142 -8.795 1.00 0.00 C ATOM 1274 CG LEU B 22 4.688 -1.284 -9.253 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.426 -1.799 -8.556 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.456 -1.294 -10.744 1.00 0.00 C ATOM 0 H LEU B 22 7.435 -0.533 -8.943 1.00 0.00 H new ATOM 0 HA LEU B 22 5.672 0.777 -10.739 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.352 0.126 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.056 0.719 -8.790 1.00 0.00 H new ATOM 0 HG LEU B 22 5.536 -1.922 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.219 -2.817 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.577 -1.790 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.582 -1.157 -8.810 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.247 -2.312 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.608 -0.653 -10.985 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.346 -0.924 -11.253 1.00 0.00 H new ATOM 1288 N ASN B 23 5.150 3.070 -9.744 1.00 0.00 N ATOM 1289 CA ASN B 23 5.069 4.490 -9.445 1.00 0.00 C ATOM 1290 C ASN B 23 4.238 4.686 -8.179 1.00 0.00 C ATOM 1291 O ASN B 23 3.416 3.836 -7.840 1.00 0.00 O ATOM 1292 CB ASN B 23 4.427 5.180 -10.669 1.00 0.00 C ATOM 1293 CG ASN B 23 3.525 6.348 -10.304 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.363 6.381 -10.691 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.997 7.321 -9.605 1.00 0.00 N ATOM 0 H ASN B 23 4.391 2.729 -10.334 1.00 0.00 H new ATOM 0 HA ASN B 23 6.051 4.927 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.217 5.534 -11.332 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.848 4.445 -11.228 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.404 8.118 -9.374 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.964 7.295 -9.282 1.00 0.00 H new ATOM 1302 N SER B 24 4.442 5.811 -7.489 1.00 0.00 N ATOM 1303 CA SER B 24 3.686 6.088 -6.270 1.00 0.00 C ATOM 1304 C SER B 24 2.196 6.100 -6.590 1.00 0.00 C ATOM 1305 O SER B 24 1.391 5.507 -5.875 1.00 0.00 O ATOM 1306 CB SER B 24 4.107 7.446 -5.700 1.00 0.00 C ATOM 1307 OG SER B 24 3.717 8.482 -6.593 1.00 0.00 O ATOM 0 H SER B 24 5.114 6.533 -7.750 1.00 0.00 H new ATOM 0 HA SER B 24 3.890 5.313 -5.531 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.646 7.601 -4.725 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.186 7.469 -5.550 1.00 0.00 H new ATOM 0 HG SER B 24 4.344 9.231 -6.519 1.00 0.00 H new ATOM 1313 N LEU B 25 1.858 6.755 -7.698 1.00 0.00 N ATOM 1314 CA LEU B 25 0.484 6.836 -8.160 1.00 0.00 C ATOM 1315 C LEU B 25 0.000 5.485 -8.673 1.00 0.00 C ATOM 1316 O LEU B 25 -1.158 5.130 -8.468 1.00 0.00 O ATOM 1317 CB LEU B 25 0.350 7.894 -9.264 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.556 9.020 -8.802 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.645 10.102 -9.887 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.940 8.448 -8.515 1.00 0.00 C ATOM 0 H LEU B 25 2.528 7.240 -8.295 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.138 7.126 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.333 8.290 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.055 7.438 -10.167 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.151 9.473 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.297 10.906 -9.546 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.350 10.501 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.051 9.668 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.602 9.247 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.343 7.998 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.866 7.690 -7.736 1.00 0.00 H new ATOM 1332 N GLN B 26 0.892 4.725 -9.327 1.00 0.00 N ATOM 1333 CA GLN B 26 0.523 3.414 -9.839 1.00 0.00 C ATOM 1334 C GLN B 26 0.180 2.503 -8.680 1.00 0.00 C ATOM 1335 O GLN B 26 -0.789 1.750 -8.726 1.00 0.00 O ATOM 1336 CB GLN B 26 1.686 2.799 -10.609 1.00 0.00 C ATOM 1337 CG GLN B 26 1.793 3.397 -12.016 1.00 0.00 C ATOM 1338 CD GLN B 26 2.968 2.764 -12.753 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.738 1.917 -12.126 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.192 3.048 -13.927 1.00 0.00 N flip ATOM 0 H GLN B 26 1.858 4.998 -9.508 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.334 3.527 -10.503 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.616 2.969 -10.066 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.550 1.720 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.869 3.223 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.929 4.477 -11.954 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.589 3.710 -14.415 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.981 2.622 -14.413 1.00 0.00 H new ATOM 1349 N VAL B 27 0.986 2.605 -7.633 1.00 0.00 N ATOM 1350 CA VAL B 27 0.784 1.815 -6.438 1.00 0.00 C ATOM 1351 C VAL B 27 -0.532 2.201 -5.813 1.00 0.00 C ATOM 1352 O VAL B 27 -1.326 1.341 -5.466 1.00 0.00 O ATOM 1353 CB VAL B 27 1.958 2.014 -5.477 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.688 1.300 -4.143 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.211 1.423 -6.135 1.00 0.00 C ATOM 0 H VAL B 27 1.789 3.232 -7.592 1.00 0.00 H new ATOM 0 HA VAL B 27 0.746 0.754 -6.685 1.00 0.00 H new ATOM 0 HB VAL B 27 2.094 3.076 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.533 1.452 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.785 1.708 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.554 0.233 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.066 1.551 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.055 0.361 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.404 1.936 -7.077 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.780 3.499 -5.741 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.035 3.990 -5.226 1.00 0.00 C ATOM 1367 C VAL B 28 -3.159 3.499 -6.145 1.00 0.00 C ATOM 1368 O VAL B 28 -4.250 3.184 -5.687 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.021 5.523 -5.158 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.370 6.010 -4.626 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.889 5.999 -4.226 1.00 0.00 C ATOM 0 H VAL B 28 -0.126 4.225 -6.034 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.196 3.615 -4.215 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.849 5.931 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.369 7.099 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.165 5.679 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.538 5.600 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.886 7.088 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.048 5.597 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.069 5.649 -4.609 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.859 3.414 -7.447 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.825 2.937 -8.431 1.00 0.00 C ATOM 1383 C ALA B 29 -4.238 1.527 -8.063 1.00 0.00 C ATOM 1384 O ALA B 29 -5.420 1.177 -8.078 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.184 2.926 -9.831 1.00 0.00 C ATOM 0 H ALA B 29 -1.953 3.671 -7.839 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.693 3.596 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.910 2.569 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.870 3.936 -10.095 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.317 2.265 -9.829 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.231 0.731 -7.724 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.439 -0.634 -7.342 1.00 0.00 C ATOM 1393 C PHE B 30 -4.084 -0.718 -5.949 1.00 0.00 C ATOM 1394 O PHE B 30 -5.054 -1.446 -5.769 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.087 -1.374 -7.403 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.580 -1.403 -8.846 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.405 -1.864 -9.896 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.285 -0.928 -9.151 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.941 -1.842 -11.208 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.163 -0.920 -10.467 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.662 -1.372 -11.496 1.00 0.00 C ATOM 0 H PHE B 30 -2.255 1.026 -7.711 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.132 -1.115 -8.032 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.360 -0.876 -6.762 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.201 -2.391 -7.027 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.397 -2.234 -9.680 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.358 -0.570 -8.360 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.577 -2.192 -12.008 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.156 -0.561 -10.694 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.309 -1.358 -12.517 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.580 0.060 -4.979 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.149 0.058 -3.624 1.00 0.00 C ATOM 1413 C ILE B 31 -5.623 0.452 -3.681 1.00 0.00 C ATOM 1414 O ILE B 31 -6.486 -0.218 -3.113 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.380 1.046 -2.724 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.923 0.583 -2.544 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.045 1.124 -1.343 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.098 1.729 -1.945 1.00 0.00 C ATOM 0 H ILE B 31 -2.789 0.691 -5.105 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.060 -0.945 -3.206 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.396 2.026 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.884 -0.289 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.504 0.281 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.496 1.824 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.074 1.466 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.038 0.137 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.065 1.405 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.128 2.588 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.514 2.010 -0.977 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.890 1.535 -4.395 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.241 2.036 -4.571 1.00 0.00 C ATOM 1432 C ASN B 32 -8.133 0.991 -5.241 1.00 0.00 C ATOM 1433 O ASN B 32 -9.344 0.970 -5.017 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.197 3.305 -5.425 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.543 4.017 -5.416 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.319 3.903 -4.465 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.859 4.759 -6.433 1.00 0.00 N ATOM 0 H ASN B 32 -5.176 2.089 -4.867 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.662 2.259 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.425 3.975 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.924 3.049 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.753 5.251 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.214 4.850 -7.218 1.00 0.00 H new ATOM 1444 N SER B 33 -7.532 0.125 -6.069 1.00 0.00 N ATOM 1445 CA SER B 33 -8.284 -0.897 -6.754 1.00 0.00 C ATOM 1446 C SER B 33 -8.601 -2.040 -5.802 1.00 0.00 C ATOM 1447 O SER B 33 -9.643 -2.673 -5.933 1.00 0.00 O ATOM 1448 CB SER B 33 -7.527 -1.362 -7.981 1.00 0.00 C ATOM 1449 OG SER B 33 -7.802 -0.479 -9.061 1.00 0.00 O ATOM 0 H SER B 33 -6.532 0.124 -6.270 1.00 0.00 H new ATOM 0 HA SER B 33 -9.235 -0.488 -7.095 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.457 -1.384 -7.776 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.822 -2.378 -8.242 1.00 0.00 H new ATOM 0 HG SER B 33 -7.177 0.276 -9.034 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.728 -2.276 -4.806 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.018 -3.318 -3.818 1.00 0.00 C ATOM 1457 C LEU B 34 -9.265 -2.857 -3.079 1.00 0.00 C ATOM 1458 O LEU B 34 -10.207 -3.617 -2.870 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.880 -3.516 -2.805 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.508 -3.339 -3.464 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.401 -3.607 -2.463 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.348 -4.298 -4.621 1.00 0.00 C ATOM 0 H LEU B 34 -6.849 -1.778 -4.669 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.146 -4.274 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.988 -2.801 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.949 -4.512 -2.367 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.442 -2.312 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.433 -3.477 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.487 -2.909 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.486 -4.628 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.368 -4.158 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.437 -5.322 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.124 -4.106 -5.362 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.257 -1.561 -2.737 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.402 -0.927 -2.074 1.00 0.00 C ATOM 1476 C ARG B 35 -11.644 -1.117 -2.946 1.00 0.00 C ATOM 1477 O ARG B 35 -12.715 -1.485 -2.461 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.144 0.588 -1.922 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.734 0.959 -0.485 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.307 1.521 -0.467 1.00 0.00 C ATOM 1481 NE ARG B 35 -7.673 1.260 0.825 1.00 0.00 N ATOM 1482 CZ ARG B 35 -7.853 2.046 1.876 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -8.874 2.855 1.941 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -6.998 2.000 2.849 1.00 0.00 N ATOM 0 H ARG B 35 -8.471 -0.933 -2.909 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.546 -1.378 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.359 0.894 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.044 1.139 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.428 1.696 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -9.794 0.080 0.156 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.720 1.067 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.329 2.594 -0.658 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.070 0.443 0.920 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -9.548 2.889 1.176 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -8.999 3.454 2.757 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -6.201 1.365 2.798 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -7.122 2.599 3.666 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.462 -0.869 -4.247 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.533 -1.010 -5.231 1.00 0.00 C ATOM 1500 C ASP B 36 -12.970 -2.470 -5.357 1.00 0.00 C ATOM 1501 O ASP B 36 -14.156 -2.761 -5.530 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.035 -0.504 -6.594 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.167 -0.548 -7.620 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.943 0.392 -7.659 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.241 -1.524 -8.350 1.00 0.00 O ATOM 0 H ASP B 36 -10.572 -0.567 -4.643 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.390 -0.422 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.662 0.516 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.201 -1.118 -6.935 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.994 -3.371 -5.287 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.249 -4.804 -5.410 1.00 0.00 C ATOM 1512 C ASP B 37 -11.222 -5.605 -4.623 1.00 0.00 C ATOM 1513 O ASP B 37 -10.156 -5.956 -5.138 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.208 -5.216 -6.888 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.624 -5.343 -7.444 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.193 -6.415 -7.317 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.116 -4.369 -7.990 1.00 0.00 O ATOM 0 H ASP B 37 -11.013 -3.132 -5.145 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.238 -5.014 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.650 -4.477 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.683 -6.165 -6.993 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.535 -5.911 -3.390 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.639 -6.706 -2.520 1.00 0.00 C ATOM 1524 C PRO B 38 -10.553 -8.154 -2.991 1.00 0.00 C ATOM 1525 O PRO B 38 -9.563 -8.843 -2.735 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.260 -6.613 -1.126 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.478 -5.750 -1.226 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.780 -5.535 -2.701 1.00 0.00 C ATOM 0 HA PRO B 38 -9.616 -6.329 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.523 -7.605 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.548 -6.189 -0.418 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.324 -6.225 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.311 -4.795 -0.728 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.617 -6.152 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.049 -4.498 -2.904 1.00 0.00 H new ATOM 1536 N SER B 39 -11.595 -8.595 -3.702 1.00 0.00 N ATOM 1537 CA SER B 39 -11.636 -9.951 -4.234 1.00 0.00 C ATOM 1538 C SER B 39 -10.588 -10.091 -5.323 1.00 0.00 C ATOM 1539 O SER B 39 -9.923 -11.123 -5.432 1.00 0.00 O ATOM 1540 CB SER B 39 -13.029 -10.252 -4.798 1.00 0.00 C ATOM 1541 OG SER B 39 -13.300 -9.382 -5.891 1.00 0.00 O ATOM 0 H SER B 39 -12.417 -8.031 -3.919 1.00 0.00 H new ATOM 0 HA SER B 39 -11.425 -10.662 -3.436 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.083 -11.290 -5.125 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.783 -10.122 -4.021 1.00 0.00 H new ATOM 0 HG SER B 39 -14.190 -9.577 -6.251 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.433 -9.023 -6.111 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.453 -8.999 -7.178 1.00 0.00 C ATOM 1549 C GLN B 40 -8.244 -8.190 -6.756 1.00 0.00 C ATOM 1550 O GLN B 40 -7.486 -7.727 -7.605 1.00 0.00 O ATOM 1551 CB GLN B 40 -10.033 -8.440 -8.490 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.574 -8.454 -8.485 1.00 0.00 C ATOM 1553 CD GLN B 40 -12.106 -7.561 -9.600 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.650 -6.347 -9.714 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.954 -7.980 -10.387 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.980 -8.166 -6.022 1.00 0.00 H new ATOM 0 HA GLN B 40 -9.155 -10.030 -7.369 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.679 -7.420 -8.639 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.667 -9.030 -9.330 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.937 -9.473 -8.619 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.946 -8.107 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.309 -8.932 -10.295 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.302 -7.376 -11.131 1.00 0.00 H new ATOM 1564 N SER B 41 -8.038 -8.036 -5.440 1.00 0.00 N ATOM 1565 CA SER B 41 -6.883 -7.303 -4.962 1.00 0.00 C ATOM 1566 C SER B 41 -5.635 -7.926 -5.559 1.00 0.00 C ATOM 1567 O SER B 41 -4.663 -7.247 -5.855 1.00 0.00 O ATOM 1568 CB SER B 41 -6.815 -7.389 -3.431 1.00 0.00 C ATOM 1569 OG SER B 41 -5.544 -6.939 -2.976 1.00 0.00 O ATOM 0 H SER B 41 -8.648 -8.405 -4.710 1.00 0.00 H new ATOM 0 HA SER B 41 -6.958 -6.256 -5.257 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.605 -6.782 -2.989 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.984 -8.416 -3.108 1.00 0.00 H new ATOM 0 HG SER B 41 -4.904 -7.680 -3.009 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.722 -9.231 -5.738 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.659 -10.035 -6.315 1.00 0.00 C ATOM 1577 C ALA B 42 -4.525 -9.776 -7.817 1.00 0.00 C ATOM 1578 O ALA B 42 -3.463 -9.990 -8.395 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.997 -11.506 -6.094 1.00 0.00 C ATOM 0 H ALA B 42 -6.548 -9.772 -5.482 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.716 -9.772 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.210 -12.128 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.077 -11.704 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.946 -11.738 -6.578 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.631 -9.354 -8.436 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.687 -9.096 -9.871 1.00 0.00 C ATOM 1587 C ASN B 43 -4.906 -7.863 -10.274 1.00 0.00 C ATOM 1588 O ASN B 43 -4.052 -7.915 -11.152 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.123 -8.883 -10.256 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.311 -9.067 -11.760 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.839 -8.170 -12.580 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.893 -10.058 -12.198 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.512 -9.182 -7.952 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.245 -9.953 -10.378 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.758 -9.586 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.438 -7.881 -9.965 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.262 -10.759 -11.555 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.007 -10.179 -13.204 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.212 -6.747 -9.628 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.528 -5.523 -9.925 1.00 0.00 C ATOM 1601 C LEU B 44 -3.139 -5.597 -9.300 1.00 0.00 C ATOM 1602 O LEU B 44 -2.178 -5.033 -9.799 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.385 -4.285 -9.576 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.571 -4.030 -8.092 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.522 -5.056 -7.492 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.246 -3.998 -7.355 1.00 0.00 C ATOM 0 H LEU B 44 -5.925 -6.676 -8.903 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.374 -5.394 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.925 -3.405 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.367 -4.401 -10.035 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.018 -3.043 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.645 -4.859 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.490 -4.988 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.113 -6.057 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.423 -3.813 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.739 -4.955 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.622 -3.203 -7.763 1.00 0.00 H new ATOM 1618 N LEU B 45 -3.045 -6.397 -8.239 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.774 -6.684 -7.595 1.00 0.00 C ATOM 1620 C LEU B 45 -0.944 -7.343 -8.665 1.00 0.00 C ATOM 1621 O LEU B 45 0.252 -7.094 -8.825 1.00 0.00 O ATOM 1622 CB LEU B 45 -2.047 -7.659 -6.435 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.806 -8.431 -5.936 1.00 0.00 C ATOM 1624 CD1 LEU B 45 -0.273 -9.417 -6.981 1.00 0.00 C ATOM 1625 CD2 LEU B 45 0.282 -7.456 -5.505 1.00 0.00 C ATOM 0 H LEU B 45 -3.845 -6.860 -7.807 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.270 -5.805 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.470 -7.100 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.802 -8.378 -6.753 1.00 0.00 H new ATOM 0 HG LEU B 45 -1.114 -9.023 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.599 -9.934 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -1.047 -10.145 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.009 -8.874 -7.883 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.152 -8.012 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU B 45 0.567 -6.832 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -0.093 -6.825 -4.699 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.660 -8.168 -9.426 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.086 -8.880 -10.541 1.00 0.00 C ATOM 1639 C ALA B 46 -0.648 -7.849 -11.570 1.00 0.00 C ATOM 1640 O ALA B 46 0.467 -7.894 -12.086 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.129 -9.834 -11.148 1.00 0.00 C ATOM 0 H ALA B 46 -2.652 -8.354 -9.279 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.233 -9.477 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.688 -10.368 -11.990 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.450 -10.550 -10.392 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.989 -9.261 -11.493 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.545 -6.888 -11.813 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.285 -5.792 -12.733 1.00 0.00 C ATOM 1649 C GLU B 47 -0.062 -5.016 -12.274 1.00 0.00 C ATOM 1650 O GLU B 47 0.675 -4.466 -13.085 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.474 -4.814 -12.775 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.718 -5.453 -13.384 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.437 -5.984 -14.793 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.943 -5.224 -15.612 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.720 -7.146 -15.031 1.00 0.00 O ATOM 0 H GLU B 47 -2.466 -6.854 -11.376 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.126 -6.220 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.699 -4.473 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.198 -3.933 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.060 -6.269 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.524 -4.720 -13.423 1.00 0.00 H new ATOM 1662 N ALA B 48 0.116 -4.954 -10.954 1.00 0.00 N ATOM 1663 CA ALA B 48 1.211 -4.223 -10.363 1.00 0.00 C ATOM 1664 C ALA B 48 2.518 -4.922 -10.589 1.00 0.00 C ATOM 1665 O ALA B 48 3.481 -4.327 -11.044 1.00 0.00 O ATOM 1666 CB ALA B 48 0.965 -4.174 -8.874 1.00 0.00 C ATOM 0 H ALA B 48 -0.497 -5.410 -10.278 1.00 0.00 H new ATOM 0 HA ALA B 48 1.264 -3.231 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.774 -3.628 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.018 -3.670 -8.678 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.925 -5.189 -8.478 1.00 0.00 H new ATOM 1672 N LYS B 49 2.528 -6.203 -10.291 1.00 0.00 N ATOM 1673 CA LYS B 49 3.721 -6.998 -10.490 1.00 0.00 C ATOM 1674 C LYS B 49 4.097 -6.942 -11.969 1.00 0.00 C ATOM 1675 O LYS B 49 5.272 -6.872 -12.327 1.00 0.00 O ATOM 1676 CB LYS B 49 3.467 -8.416 -10.004 1.00 0.00 C ATOM 1677 CG LYS B 49 3.567 -8.448 -8.478 1.00 0.00 C ATOM 1678 CD LYS B 49 3.874 -9.878 -8.003 1.00 0.00 C ATOM 1679 CE LYS B 49 2.796 -10.339 -7.027 1.00 0.00 C ATOM 1680 NZ LYS B 49 3.343 -11.414 -6.149 1.00 0.00 N ATOM 0 H LYS B 49 1.730 -6.714 -9.913 1.00 0.00 H new ATOM 0 HA LYS B 49 4.560 -6.608 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.480 -8.752 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.194 -9.100 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.350 -7.768 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.633 -8.102 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS B 49 3.918 -10.554 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS B 49 4.851 -9.910 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.456 -9.499 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.929 -10.709 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.870 -11.380 -5.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.176 -12.341 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 4.365 -11.271 -6.021 1.00 0.00 H new ATOM 1694 N LYS B 50 3.061 -6.902 -12.805 1.00 0.00 N ATOM 1695 CA LYS B 50 3.225 -6.772 -14.251 1.00 0.00 C ATOM 1696 C LYS B 50 3.698 -5.373 -14.613 1.00 0.00 C ATOM 1697 O LYS B 50 4.520 -5.207 -15.505 1.00 0.00 O ATOM 1698 CB LYS B 50 1.911 -7.040 -14.974 1.00 0.00 C ATOM 1699 CG LYS B 50 1.591 -8.544 -14.964 1.00 0.00 C ATOM 1700 CD LYS B 50 0.517 -8.865 -16.019 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.810 -8.169 -15.681 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.344 -8.692 -14.392 1.00 0.00 N ATOM 0 H LYS B 50 2.089 -6.958 -12.501 1.00 0.00 H new ATOM 0 HA LYS B 50 3.969 -7.506 -14.561 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.104 -6.487 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.974 -6.682 -16.002 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.495 -9.117 -15.169 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.241 -8.842 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.860 -8.544 -17.002 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.364 -9.943 -16.071 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.658 -7.092 -15.611 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -1.533 -8.338 -16.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.196 -8.158 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.585 -9.698 -14.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.624 -8.585 -13.649 1.00 0.00 H new ATOM 1716 N LEU B 51 3.161 -4.366 -13.923 1.00 0.00 N ATOM 1717 CA LEU B 51 3.542 -2.982 -14.194 1.00 0.00 C ATOM 1718 C LEU B 51 4.973 -2.775 -13.797 1.00 0.00 C ATOM 1719 O LEU B 51 5.751 -2.145 -14.510 1.00 0.00 O ATOM 1720 CB LEU B 51 2.645 -2.008 -13.422 1.00 0.00 C ATOM 1721 CG LEU B 51 1.726 -1.277 -14.397 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.561 -0.297 -15.236 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.007 -2.298 -15.305 1.00 0.00 C ATOM 0 H LEU B 51 2.470 -4.481 -13.182 1.00 0.00 H new ATOM 0 HA LEU B 51 3.421 -2.788 -15.260 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.053 -2.550 -12.685 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.256 -1.290 -12.875 1.00 0.00 H new ATOM 0 HG LEU B 51 0.970 -0.718 -13.846 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.911 0.229 -15.935 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.045 0.424 -14.578 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.320 -0.848 -15.791 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.352 -1.770 -15.999 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.746 -2.869 -15.867 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.414 -2.976 -14.691 1.00 0.00 H new ATOM 1735 N ASN B 52 5.315 -3.363 -12.671 1.00 0.00 N ATOM 1736 CA ASN B 52 6.674 -3.304 -12.189 1.00 0.00 C ATOM 1737 C ASN B 52 7.540 -3.962 -13.234 1.00 0.00 C ATOM 1738 O ASN B 52 8.625 -3.486 -13.555 1.00 0.00 O ATOM 1739 CB ASN B 52 6.794 -4.033 -10.856 1.00 0.00 C ATOM 1740 CG ASN B 52 8.259 -4.165 -10.454 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.764 -3.390 -9.647 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.970 -5.107 -10.988 1.00 0.00 N ATOM 0 H ASN B 52 4.672 -3.885 -12.076 1.00 0.00 H new ATOM 0 HA ASN B 52 6.986 -2.273 -12.025 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.246 -3.489 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.340 -5.021 -10.932 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.954 -5.207 -10.738 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.546 -5.749 -11.658 1.00 0.00 H new ATOM 1749 N ASP B 53 7.003 -5.046 -13.788 1.00 0.00 N ATOM 1750 CA ASP B 53 7.694 -5.767 -14.845 1.00 0.00 C ATOM 1751 C ASP B 53 7.751 -4.896 -16.097 1.00 0.00 C ATOM 1752 O ASP B 53 8.732 -4.912 -16.843 1.00 0.00 O ATOM 1753 CB ASP B 53 6.971 -7.079 -15.169 1.00 0.00 C ATOM 1754 CG ASP B 53 7.847 -7.943 -16.075 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.671 -8.673 -15.548 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.689 -7.854 -17.282 1.00 0.00 O ATOM 0 H ASP B 53 6.100 -5.439 -13.523 1.00 0.00 H new ATOM 0 HA ASP B 53 8.703 -6.001 -14.507 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.743 -7.616 -14.248 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.020 -6.869 -15.659 1.00 0.00 H new ATOM 1761 N ALA B 54 6.675 -4.134 -16.304 1.00 0.00 N ATOM 1762 CA ALA B 54 6.559 -3.242 -17.446 1.00 0.00 C ATOM 1763 C ALA B 54 7.611 -2.143 -17.365 1.00 0.00 C ATOM 1764 O ALA B 54 8.198 -1.754 -18.377 1.00 0.00 O ATOM 1765 CB ALA B 54 5.158 -2.628 -17.463 1.00 0.00 C ATOM 0 H ALA B 54 5.865 -4.122 -15.684 1.00 0.00 H new ATOM 0 HA ALA B 54 6.720 -3.807 -18.364 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.065 -1.958 -18.318 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.414 -3.421 -17.541 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.995 -2.067 -16.543 1.00 0.00 H new ATOM 1771 N GLN B 55 7.847 -1.659 -16.145 1.00 0.00 N ATOM 1772 CA GLN B 55 8.833 -0.613 -15.910 1.00 0.00 C ATOM 1773 C GLN B 55 10.207 -1.210 -15.611 1.00 0.00 C ATOM 1774 O GLN B 55 11.204 -0.488 -15.548 1.00 0.00 O ATOM 1775 CB GLN B 55 8.372 0.235 -14.744 1.00 0.00 C ATOM 1776 CG GLN B 55 7.094 0.984 -15.120 1.00 0.00 C ATOM 1777 CD GLN B 55 6.273 1.237 -13.868 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.835 0.217 -13.186 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.033 2.385 -13.497 1.00 0.00 N flip ATOM 0 H GLN B 55 7.365 -1.978 -15.304 1.00 0.00 H new ATOM 0 HA GLN B 55 8.925 -0.001 -16.807 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.192 -0.395 -13.873 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.152 0.944 -14.468 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.342 1.929 -15.603 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.515 0.402 -15.837 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.380 3.178 -14.037 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.488 2.544 -12.650 1.00 0.00 H new ATOM 1788 N ALA B 56 10.250 -2.532 -15.428 1.00 0.00 N ATOM 1789 CA ALA B 56 11.508 -3.221 -15.134 1.00 0.00 C ATOM 1790 C ALA B 56 12.411 -3.227 -16.355 1.00 0.00 C ATOM 1791 O ALA B 56 11.962 -2.958 -17.472 1.00 0.00 O ATOM 1792 CB ALA B 56 11.252 -4.668 -14.709 1.00 0.00 C ATOM 0 H ALA B 56 9.434 -3.143 -15.478 1.00 0.00 H new ATOM 0 HA ALA B 56 11.992 -2.684 -14.319 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.202 -5.158 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.629 -4.680 -13.815 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.742 -5.199 -15.513 1.00 0.00 H new