USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 923 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= -0.724 F(o=-7.1,f=-5.3) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.57! C(o=-5.3!,f=-13!) USER MOD Set 2.1: B 39 SER OG : rot -97:sc= 1 USER MOD Set 2.2: B 40 GLN : amide:sc= 1.08 X(o=2.1,f=1.8) USER MOD Set 3.1: B 23 ASN : amide:sc= -8.29! C(o=-8.6!,f=-18!) USER MOD Set 3.2: B 24 SER OG : rot -130:sc= -0.276 USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.981 F(o=-9.3!,f=-2.8) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -1.84! C(o=-6.6!,f=-2.8!) USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -1.61 F(o=-10,f=-8.6) USER MOD Set 5.2: A 52 ASN : amide:sc= -7! C(o=-8.6!,f=-10!) USER MOD Set 6.1: A 13 THR OG1 : rot 119:sc= -2.51 USER MOD Set 6.2: B 17 MET CE :methyl -117:sc= -11.2! (180deg=-11.5!) USER MOD Single : A 1 VAL N :NH3+ -177:sc= -1.06 (180deg=-1.14) USER MOD Single : A 3 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.54 K(o=-2.5,f=-8.2!) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= -0.486 (180deg=-3.62!) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.32 F(o=-5.8!,f=-3.3) USER MOD Single : A 23 ASN : amide:sc= -0.81 K(o=-0.81,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= -0.73 (180deg=-0.755) USER MOD Single : A 33 SER OG : rot 74:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.7) USER MOD Single : A 41 SER OG : rot -129:sc= -8.23! USER MOD Single : A 43 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.0024) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -1.26 (180deg=-1.26) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= -0.858 (180deg=-0.888) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.973 (180deg=-1.77) USER MOD Single : B 1 VAL N :NH3+ -178:sc= -0.498 (180deg=-0.503) USER MOD Single : B 3 ASN :FLIP amide:sc= -1.2 F(o=-2.9!,f=-1.2) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -0.661! C(o=-0.66!,f=-3.9!) USER MOD Single : B 7 LYS NZ :NH3+ -132:sc= 0.629 (180deg=-0.43) USER MOD Single : B 26 GLN :FLIP amide:sc= -4.76! C(o=-8.8!,f=-4.8!) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.01! C(o=-3.7!,f=-3!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot -15:sc= -4.26! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 148:sc= -1.08 (180deg=-2.74!) USER MOD Single : B 50 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.953) USER MOD Single : B 55 GLN :FLIP amide:sc= -1.25 F(o=-4.8!,f=-1.2) USER MOD Single : B 58 LYS NZ :NH3+ 145:sc= 0.945 (180deg=-1.51) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.012 -11.469 9.440 1.00 0.00 N ATOM 2 CA VAL A 1 12.744 -12.279 8.422 1.00 0.00 C ATOM 3 C VAL A 1 11.758 -12.782 7.368 1.00 0.00 C ATOM 4 O VAL A 1 12.103 -12.896 6.190 1.00 0.00 O ATOM 5 CB VAL A 1 13.449 -13.469 9.105 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.598 -12.956 9.982 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.453 -14.254 9.978 1.00 0.00 C ATOM 0 H1 VAL A 1 12.689 -11.084 10.129 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.515 -10.687 8.969 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.322 -12.071 9.932 1.00 0.00 H new ATOM 0 HA VAL A 1 13.498 -11.659 7.938 1.00 0.00 H new ATOM 0 HB VAL A 1 13.843 -14.130 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.093 -13.800 10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.316 -12.418 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.202 -12.285 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.966 -15.090 10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.044 -13.596 10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.642 -14.632 9.355 1.00 0.00 H new ATOM 19 N ASP A 2 10.532 -13.075 7.805 1.00 0.00 N ATOM 20 CA ASP A 2 9.488 -13.563 6.906 1.00 0.00 C ATOM 21 C ASP A 2 8.861 -12.399 6.129 1.00 0.00 C ATOM 22 O ASP A 2 9.444 -11.319 6.042 1.00 0.00 O ATOM 23 CB ASP A 2 8.419 -14.312 7.717 1.00 0.00 C ATOM 24 CG ASP A 2 7.596 -13.333 8.557 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.178 -12.663 9.396 1.00 0.00 O ATOM 26 OD2 ASP A 2 6.397 -13.264 8.340 1.00 0.00 O ATOM 0 H ASP A 2 10.239 -12.982 8.778 1.00 0.00 H new ATOM 0 HA ASP A 2 9.931 -14.250 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.763 -14.862 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.896 -15.046 8.367 1.00 0.00 H new ATOM 31 N ASN A 3 7.677 -12.637 5.561 1.00 0.00 N ATOM 32 CA ASN A 3 6.972 -11.615 4.781 1.00 0.00 C ATOM 33 C ASN A 3 6.156 -10.675 5.678 1.00 0.00 C ATOM 34 O ASN A 3 5.319 -9.920 5.183 1.00 0.00 O ATOM 35 CB ASN A 3 6.044 -12.293 3.765 1.00 0.00 C ATOM 36 CG ASN A 3 6.848 -13.208 2.844 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.518 -14.385 2.695 1.00 0.00 O ATOM 38 ND2 ASN A 3 7.888 -12.737 2.213 1.00 0.00 N ATOM 0 H ASN A 3 7.185 -13.528 5.626 1.00 0.00 H new ATOM 0 HA ASN A 3 7.720 -11.015 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.281 -12.870 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.524 -11.538 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.428 -13.344 1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.161 -11.762 2.337 1.00 0.00 H new ATOM 45 N LYS A 4 6.399 -10.721 6.992 1.00 0.00 N ATOM 46 CA LYS A 4 5.668 -9.861 7.930 1.00 0.00 C ATOM 47 C LYS A 4 5.825 -8.390 7.543 1.00 0.00 C ATOM 48 O LYS A 4 4.854 -7.633 7.553 1.00 0.00 O ATOM 49 CB LYS A 4 6.181 -10.084 9.361 1.00 0.00 C ATOM 50 CG LYS A 4 5.312 -9.303 10.355 1.00 0.00 C ATOM 51 CD LYS A 4 5.822 -9.540 11.783 1.00 0.00 C ATOM 52 CE LYS A 4 4.851 -8.909 12.786 1.00 0.00 C ATOM 53 NZ LYS A 4 5.103 -9.475 14.142 1.00 0.00 N ATOM 0 H LYS A 4 7.087 -11.336 7.427 1.00 0.00 H new ATOM 0 HA LYS A 4 4.611 -10.122 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.160 -11.147 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.219 -9.760 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.340 -8.239 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.273 -9.620 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.915 -10.609 11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.816 -9.108 11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.980 -7.827 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.822 -9.103 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.445 -9.048 14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.959 -10.505 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.081 -9.268 14.428 1.00 0.00 H new ATOM 67 N PHE A 5 7.053 -7.999 7.191 1.00 0.00 N ATOM 68 CA PHE A 5 7.332 -6.631 6.788 1.00 0.00 C ATOM 69 C PHE A 5 6.572 -6.296 5.506 1.00 0.00 C ATOM 70 O PHE A 5 6.047 -5.202 5.377 1.00 0.00 O ATOM 71 CB PHE A 5 8.845 -6.411 6.606 1.00 0.00 C ATOM 72 CG PHE A 5 9.309 -6.939 5.262 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.489 -8.314 5.075 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.561 -6.050 4.208 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.920 -8.802 3.836 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.992 -6.537 2.971 1.00 0.00 C ATOM 77 CZ PHE A 5 10.172 -7.913 2.784 1.00 0.00 C ATOM 0 H PHE A 5 7.865 -8.616 7.179 1.00 0.00 H new ATOM 0 HA PHE A 5 6.992 -5.960 7.576 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.074 -5.348 6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.389 -6.913 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.295 -8.999 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.422 -4.989 4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.058 -9.863 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.186 -5.852 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.505 -8.289 1.828 1.00 0.00 H new ATOM 87 N ASN A 6 6.500 -7.257 4.573 1.00 0.00 N ATOM 88 CA ASN A 6 5.768 -7.056 3.324 1.00 0.00 C ATOM 89 C ASN A 6 4.301 -6.862 3.636 1.00 0.00 C ATOM 90 O ASN A 6 3.645 -5.968 3.111 1.00 0.00 O ATOM 91 CB ASN A 6 5.905 -8.296 2.441 1.00 0.00 C ATOM 92 CG ASN A 6 5.248 -8.079 1.079 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.508 -7.084 0.421 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.396 -8.962 0.628 1.00 0.00 N ATOM 0 H ASN A 6 6.938 -8.174 4.663 1.00 0.00 H new ATOM 0 HA ASN A 6 6.172 -6.183 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.960 -8.534 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.446 -9.151 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.946 -8.821 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.181 -9.792 1.181 1.00 0.00 H new ATOM 101 N LYS A 7 3.812 -7.717 4.523 1.00 0.00 N ATOM 102 CA LYS A 7 2.436 -7.680 4.945 1.00 0.00 C ATOM 103 C LYS A 7 2.161 -6.333 5.587 1.00 0.00 C ATOM 104 O LYS A 7 1.153 -5.690 5.313 1.00 0.00 O ATOM 105 CB LYS A 7 2.197 -8.825 5.940 1.00 0.00 C ATOM 106 CG LYS A 7 0.701 -9.109 6.056 1.00 0.00 C ATOM 107 CD LYS A 7 0.465 -10.457 6.750 1.00 0.00 C ATOM 108 CE LYS A 7 -0.669 -11.200 6.036 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.931 -10.412 6.149 1.00 0.00 N ATOM 0 H LYS A 7 4.365 -8.452 4.965 1.00 0.00 H new ATOM 0 HA LYS A 7 1.762 -7.807 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.722 -9.721 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.603 -8.560 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.216 -8.312 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.248 -9.119 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.376 -11.054 6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.210 -10.300 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.415 -11.351 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.804 -12.188 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.489 -10.524 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.483 -10.755 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.702 -9.407 6.286 1.00 0.00 H new ATOM 123 N GLU A 8 3.091 -5.905 6.427 1.00 0.00 N ATOM 124 CA GLU A 8 2.960 -4.624 7.094 1.00 0.00 C ATOM 125 C GLU A 8 3.201 -3.467 6.128 1.00 0.00 C ATOM 126 O GLU A 8 2.529 -2.445 6.196 1.00 0.00 O ATOM 127 CB GLU A 8 3.900 -4.558 8.300 1.00 0.00 C ATOM 128 CG GLU A 8 3.789 -3.182 8.986 1.00 0.00 C ATOM 129 CD GLU A 8 2.361 -2.927 9.498 1.00 0.00 C ATOM 130 OE1 GLU A 8 1.724 -3.868 9.949 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.931 -1.786 9.443 1.00 0.00 O ATOM 0 H GLU A 8 3.938 -6.423 6.660 1.00 0.00 H new ATOM 0 HA GLU A 8 1.936 -4.526 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.650 -5.347 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.927 -4.731 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.491 -3.130 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.071 -2.399 8.282 1.00 0.00 H new ATOM 138 N LEU A 9 4.132 -3.663 5.206 1.00 0.00 N ATOM 139 CA LEU A 9 4.434 -2.660 4.181 1.00 0.00 C ATOM 140 C LEU A 9 3.164 -2.411 3.408 1.00 0.00 C ATOM 141 O LEU A 9 2.835 -1.276 3.080 1.00 0.00 O ATOM 142 CB LEU A 9 5.557 -3.182 3.266 1.00 0.00 C ATOM 143 CG LEU A 9 5.731 -2.277 2.032 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.537 -1.013 2.343 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.465 -3.046 0.959 1.00 0.00 C ATOM 0 H LEU A 9 4.697 -4.510 5.142 1.00 0.00 H new ATOM 0 HA LEU A 9 4.781 -1.727 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.493 -3.227 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.327 -4.198 2.946 1.00 0.00 H new ATOM 0 HG LEU A 9 4.735 -1.977 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.631 -0.410 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.026 -0.436 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.529 -1.292 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.593 -2.413 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.443 -3.350 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.890 -3.931 0.688 1.00 0.00 H new ATOM 157 N GLY A 10 2.424 -3.479 3.167 1.00 0.00 N ATOM 158 CA GLY A 10 1.177 -3.369 2.490 1.00 0.00 C ATOM 159 C GLY A 10 0.120 -2.802 3.413 1.00 0.00 C ATOM 160 O GLY A 10 -0.699 -1.980 3.018 1.00 0.00 O ATOM 0 H GLY A 10 2.680 -4.429 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.287 -2.727 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.865 -4.349 2.129 1.00 0.00 H new ATOM 164 N TRP A 11 0.101 -3.286 4.644 1.00 0.00 N ATOM 165 CA TRP A 11 -0.910 -2.836 5.568 1.00 0.00 C ATOM 166 C TRP A 11 -0.759 -1.414 6.007 1.00 0.00 C ATOM 167 O TRP A 11 -1.723 -0.652 5.937 1.00 0.00 O ATOM 168 CB TRP A 11 -1.063 -3.763 6.753 1.00 0.00 C ATOM 169 CG TRP A 11 -2.527 -3.827 7.099 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.997 -3.935 8.346 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.716 -3.761 6.217 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.379 -3.975 8.307 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.865 -3.861 7.022 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.911 -3.635 4.815 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.146 -3.834 6.472 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.181 -3.606 4.262 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.308 -3.705 5.087 1.00 0.00 C ATOM 0 H TRP A 11 0.758 -3.973 5.014 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.835 -2.870 4.992 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.683 -4.756 6.513 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.485 -3.397 7.602 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.394 -3.983 9.241 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.969 -4.077 9.132 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.051 -3.560 4.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.012 -3.912 7.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.302 -3.507 3.193 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.298 -3.682 4.657 1.00 0.00 H new ATOM 188 N ALA A 12 0.414 -1.038 6.454 1.00 0.00 N ATOM 189 CA ALA A 12 0.598 0.320 6.883 1.00 0.00 C ATOM 190 C ALA A 12 0.245 1.247 5.713 1.00 0.00 C ATOM 191 O ALA A 12 -0.393 2.275 5.906 1.00 0.00 O ATOM 192 CB ALA A 12 2.024 0.524 7.374 1.00 0.00 C ATOM 0 H ALA A 12 1.235 -1.638 6.528 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.058 0.555 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.153 1.557 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.220 -0.145 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.722 0.307 6.565 1.00 0.00 H new ATOM 198 N THR A 13 0.586 0.817 4.487 1.00 0.00 N ATOM 199 CA THR A 13 0.232 1.562 3.278 1.00 0.00 C ATOM 200 C THR A 13 -1.274 1.770 3.242 1.00 0.00 C ATOM 201 O THR A 13 -1.736 2.882 3.019 1.00 0.00 O ATOM 202 CB THR A 13 0.692 0.756 2.064 1.00 0.00 C ATOM 203 OG1 THR A 13 2.090 0.893 1.936 1.00 0.00 O ATOM 204 CG2 THR A 13 0.008 1.239 0.787 1.00 0.00 C ATOM 0 H THR A 13 1.106 -0.043 4.312 1.00 0.00 H new ATOM 0 HA THR A 13 0.717 2.538 3.269 1.00 0.00 H new ATOM 0 HB THR A 13 0.423 -0.290 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.514 0.013 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.356 0.646 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.072 1.128 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.251 2.288 0.619 1.00 0.00 H new ATOM 212 N TRP A 14 -2.018 0.693 3.495 1.00 0.00 N ATOM 213 CA TRP A 14 -3.480 0.740 3.515 1.00 0.00 C ATOM 214 C TRP A 14 -3.996 1.614 4.647 1.00 0.00 C ATOM 215 O TRP A 14 -4.904 2.411 4.461 1.00 0.00 O ATOM 216 CB TRP A 14 -4.017 -0.664 3.734 1.00 0.00 C ATOM 217 CG TRP A 14 -5.490 -0.715 3.473 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.448 -0.711 4.429 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.187 -0.804 2.200 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.682 -0.829 3.825 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.574 -0.888 2.455 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.763 -0.832 0.862 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.492 -1.004 1.422 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.679 -0.947 -0.165 1.00 0.00 C ATOM 225 CH2 TRP A 14 -8.034 -1.038 0.108 1.00 0.00 C ATOM 0 H TRP A 14 -1.628 -0.229 3.690 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.813 1.155 2.564 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.502 -1.363 3.075 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.813 -0.981 4.757 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.274 -0.629 5.492 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.566 -0.868 4.332 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.710 -0.763 0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.549 -1.067 1.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.336 -0.966 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.740 -1.136 -0.704 1.00 0.00 H new ATOM 236 N GLU A 15 -3.423 1.427 5.828 1.00 0.00 N ATOM 237 CA GLU A 15 -3.843 2.177 7.002 1.00 0.00 C ATOM 238 C GLU A 15 -3.643 3.674 6.760 1.00 0.00 C ATOM 239 O GLU A 15 -4.497 4.489 7.117 1.00 0.00 O ATOM 240 CB GLU A 15 -3.050 1.675 8.211 1.00 0.00 C ATOM 241 CG GLU A 15 -3.423 0.201 8.481 1.00 0.00 C ATOM 242 CD GLU A 15 -2.456 -0.413 9.493 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.664 -0.215 10.678 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.524 -1.079 9.065 1.00 0.00 O ATOM 0 H GLU A 15 -2.667 0.763 5.998 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.904 2.024 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.980 1.764 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.271 2.286 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.443 0.140 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.394 -0.365 7.550 1.00 0.00 H new ATOM 251 N ILE A 16 -2.546 4.014 6.081 1.00 0.00 N ATOM 252 CA ILE A 16 -2.266 5.402 5.707 1.00 0.00 C ATOM 253 C ILE A 16 -3.256 5.810 4.606 1.00 0.00 C ATOM 254 O ILE A 16 -3.754 6.935 4.570 1.00 0.00 O ATOM 255 CB ILE A 16 -0.820 5.509 5.167 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.195 5.131 6.258 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.532 6.938 4.701 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.588 4.918 5.638 1.00 0.00 C ATOM 0 H ILE A 16 -1.836 3.347 5.779 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.371 6.056 6.572 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.724 4.820 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.241 5.918 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.128 4.222 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.489 6.999 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.229 7.210 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.650 7.625 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.298 4.651 6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.540 4.115 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.914 5.837 5.151 1.00 0.00 H new ATOM 270 N PHE A 17 -3.526 4.846 3.722 1.00 0.00 N ATOM 271 CA PHE A 17 -4.452 5.012 2.597 1.00 0.00 C ATOM 272 C PHE A 17 -5.869 5.277 3.114 1.00 0.00 C ATOM 273 O PHE A 17 -6.636 6.032 2.514 1.00 0.00 O ATOM 274 CB PHE A 17 -4.451 3.704 1.790 1.00 0.00 C ATOM 275 CG PHE A 17 -4.708 3.924 0.321 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.640 4.212 -0.543 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.000 3.775 -0.188 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.871 4.356 -1.911 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.230 3.907 -1.555 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.166 4.199 -2.417 1.00 0.00 C ATOM 0 H PHE A 17 -3.104 3.919 3.767 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.140 5.854 1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.490 3.206 1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.212 3.034 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.640 4.322 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.821 3.557 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.053 4.588 -2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.228 3.784 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.346 4.303 -3.477 1.00 0.00 H new ATOM 290 N ASN A 18 -6.201 4.607 4.220 1.00 0.00 N ATOM 291 CA ASN A 18 -7.522 4.708 4.837 1.00 0.00 C ATOM 292 C ASN A 18 -7.595 5.813 5.893 1.00 0.00 C ATOM 293 O ASN A 18 -8.628 5.954 6.554 1.00 0.00 O ATOM 294 CB ASN A 18 -7.883 3.363 5.493 1.00 0.00 C ATOM 295 CG ASN A 18 -8.142 2.291 4.436 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.282 2.102 3.476 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.157 1.600 4.491 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.562 3.981 4.711 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.230 4.959 4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.072 3.045 6.148 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.768 3.485 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.833 1.745 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.324 0.881 3.786 1.00 0.00 H new ATOM 304 N LEU A 19 -6.525 6.601 6.066 1.00 0.00 N ATOM 305 CA LEU A 19 -6.566 7.665 7.065 1.00 0.00 C ATOM 306 C LEU A 19 -7.554 8.744 6.612 1.00 0.00 C ATOM 307 O LEU A 19 -7.600 9.076 5.426 1.00 0.00 O ATOM 308 CB LEU A 19 -5.179 8.267 7.311 1.00 0.00 C ATOM 309 CG LEU A 19 -4.566 7.660 8.589 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.183 8.230 8.801 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.401 8.018 9.814 1.00 0.00 C ATOM 0 H LEU A 19 -5.651 6.524 5.545 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.899 7.239 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.531 8.071 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.255 9.350 7.412 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.534 6.577 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.748 7.802 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.554 7.987 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.248 9.313 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.949 7.579 10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.440 9.102 9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.412 7.630 9.691 1.00 0.00 H new ATOM 323 N PRO A 20 -8.374 9.258 7.505 1.00 0.00 N ATOM 324 CA PRO A 20 -9.416 10.267 7.166 1.00 0.00 C ATOM 325 C PRO A 20 -8.919 11.713 7.136 1.00 0.00 C ATOM 326 O PRO A 20 -9.750 12.627 7.169 1.00 0.00 O ATOM 327 CB PRO A 20 -10.452 10.093 8.302 1.00 0.00 C ATOM 328 CG PRO A 20 -9.928 9.015 9.196 1.00 0.00 C ATOM 329 CD PRO A 20 -8.434 8.968 8.941 1.00 0.00 C ATOM 0 HA PRO A 20 -9.796 10.100 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.583 11.024 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.428 9.822 7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.141 9.235 10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.395 8.056 8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.893 9.707 9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.007 7.994 9.181 1.00 0.00 H new ATOM 337 N ASN A 21 -7.596 11.956 7.100 1.00 0.00 N ATOM 338 CA ASN A 21 -7.141 13.358 7.107 1.00 0.00 C ATOM 339 C ASN A 21 -5.901 13.614 6.251 1.00 0.00 C ATOM 340 O ASN A 21 -5.457 14.759 6.141 1.00 0.00 O ATOM 341 CB ASN A 21 -6.882 13.793 8.552 1.00 0.00 C ATOM 342 CG ASN A 21 -8.199 13.947 9.307 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.477 13.133 10.286 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -8.995 14.833 8.997 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.862 11.248 7.068 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.938 13.951 6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.253 13.057 9.053 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.338 14.737 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.776 15.470 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.873 14.931 9.507 1.00 0.00 H new ATOM 351 N LEU A 22 -5.350 12.575 5.638 1.00 0.00 N ATOM 352 CA LEU A 22 -4.166 12.744 4.792 1.00 0.00 C ATOM 353 C LEU A 22 -4.555 13.118 3.372 1.00 0.00 C ATOM 354 O LEU A 22 -5.633 12.747 2.900 1.00 0.00 O ATOM 355 CB LEU A 22 -3.351 11.458 4.768 1.00 0.00 C ATOM 356 CG LEU A 22 -2.924 11.098 6.190 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.146 9.799 6.166 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.023 12.186 6.762 1.00 0.00 C ATOM 0 H LEU A 22 -5.694 11.617 5.706 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.568 13.551 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.942 10.649 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.473 11.583 4.134 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.817 10.999 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.840 9.539 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.775 9.006 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.262 9.916 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.726 11.917 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.135 12.288 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.563 13.133 6.781 1.00 0.00 H new ATOM 370 N ASN A 23 -3.659 13.834 2.685 1.00 0.00 N ATOM 371 CA ASN A 23 -3.915 14.227 1.305 1.00 0.00 C ATOM 372 C ASN A 23 -3.187 13.272 0.370 1.00 0.00 C ATOM 373 O ASN A 23 -2.321 12.505 0.804 1.00 0.00 O ATOM 374 CB ASN A 23 -3.492 15.689 1.057 1.00 0.00 C ATOM 375 CG ASN A 23 -1.973 15.854 1.056 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.262 15.104 1.712 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.435 16.807 0.350 1.00 0.00 N ATOM 0 H ASN A 23 -2.763 14.147 3.060 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.985 14.168 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.894 16.025 0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.925 16.327 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.422 16.928 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.026 17.433 -0.197 1.00 0.00 H new ATOM 384 N GLY A 24 -3.560 13.303 -0.905 1.00 0.00 N ATOM 385 CA GLY A 24 -2.963 12.417 -1.900 1.00 0.00 C ATOM 386 C GLY A 24 -1.436 12.420 -1.838 1.00 0.00 C ATOM 387 O GLY A 24 -0.810 11.397 -2.093 1.00 0.00 O ATOM 0 H GLY A 24 -4.273 13.932 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.329 11.402 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.285 12.723 -2.895 1.00 0.00 H new ATOM 391 N VAL A 25 -0.846 13.570 -1.512 1.00 0.00 N ATOM 392 CA VAL A 25 0.611 13.682 -1.443 1.00 0.00 C ATOM 393 C VAL A 25 1.191 13.012 -0.201 1.00 0.00 C ATOM 394 O VAL A 25 2.143 12.243 -0.316 1.00 0.00 O ATOM 395 CB VAL A 25 1.025 15.153 -1.496 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.547 15.271 -1.337 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.611 15.724 -2.856 1.00 0.00 C ATOM 0 H VAL A 25 -1.349 14.430 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 25 1.018 13.156 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 25 0.540 15.704 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.837 16.321 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.847 14.847 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.040 14.729 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.898 16.774 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.109 15.168 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.469 15.637 -2.974 1.00 0.00 H new ATOM 407 N GLN A 26 0.639 13.300 0.983 1.00 0.00 N ATOM 408 CA GLN A 26 1.164 12.693 2.200 1.00 0.00 C ATOM 409 C GLN A 26 1.033 11.183 2.143 1.00 0.00 C ATOM 410 O GLN A 26 1.978 10.469 2.469 1.00 0.00 O ATOM 411 CB GLN A 26 0.463 13.259 3.432 1.00 0.00 C ATOM 412 CG GLN A 26 1.261 14.472 3.939 1.00 0.00 C ATOM 413 CD GLN A 26 0.318 15.543 4.442 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.294 15.349 5.559 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.133 16.576 3.799 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.150 13.933 1.119 1.00 0.00 H new ATOM 0 HA GLN A 26 2.224 12.937 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.557 13.554 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.395 12.499 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.935 14.165 4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.881 14.871 3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.622 16.721 2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.509 17.287 4.150 1.00 0.00 H new ATOM 424 N VAL A 27 -0.119 10.702 1.683 1.00 0.00 N ATOM 425 CA VAL A 27 -0.326 9.262 1.557 1.00 0.00 C ATOM 426 C VAL A 27 0.686 8.698 0.563 1.00 0.00 C ATOM 427 O VAL A 27 1.312 7.667 0.811 1.00 0.00 O ATOM 428 CB VAL A 27 -1.754 8.959 1.082 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.931 7.444 0.934 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.763 9.489 2.109 1.00 0.00 C ATOM 0 H VAL A 27 -0.911 11.277 1.396 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.186 8.795 2.532 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.925 9.444 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.945 7.227 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.217 7.064 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.758 6.962 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.776 9.273 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.592 9.005 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.639 10.566 2.218 1.00 0.00 H new ATOM 440 N LYS A 28 0.852 9.414 -0.549 1.00 0.00 N ATOM 441 CA LYS A 28 1.800 9.031 -1.585 1.00 0.00 C ATOM 442 C LYS A 28 3.224 9.043 -1.029 1.00 0.00 C ATOM 443 O LYS A 28 4.049 8.209 -1.394 1.00 0.00 O ATOM 444 CB LYS A 28 1.672 10.014 -2.764 1.00 0.00 C ATOM 445 CG LYS A 28 2.561 9.586 -3.936 1.00 0.00 C ATOM 446 CD LYS A 28 2.842 10.803 -4.828 1.00 0.00 C ATOM 447 CE LYS A 28 1.598 11.151 -5.658 1.00 0.00 C ATOM 448 NZ LYS A 28 2.005 11.456 -7.059 1.00 0.00 N ATOM 0 H LYS A 28 0.335 10.269 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 28 1.581 8.020 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.633 10.063 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.951 11.016 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.497 9.169 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.070 8.803 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.128 11.656 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.682 10.592 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.895 10.318 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.085 12.008 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.167 11.725 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.687 12.241 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.446 10.615 -7.483 1.00 0.00 H new ATOM 462 N ALA A 29 3.488 9.999 -0.141 1.00 0.00 N ATOM 463 CA ALA A 29 4.794 10.140 0.478 1.00 0.00 C ATOM 464 C ALA A 29 5.049 9.014 1.437 1.00 0.00 C ATOM 465 O ALA A 29 6.135 8.443 1.456 1.00 0.00 O ATOM 466 CB ALA A 29 4.864 11.444 1.246 1.00 0.00 C ATOM 0 H ALA A 29 2.804 10.691 0.165 1.00 0.00 H new ATOM 0 HA ALA A 29 5.544 10.125 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.847 11.542 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.699 12.278 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.097 11.452 2.021 1.00 0.00 H new ATOM 472 N PHE A 30 4.034 8.688 2.225 1.00 0.00 N ATOM 473 CA PHE A 30 4.150 7.620 3.166 1.00 0.00 C ATOM 474 C PHE A 30 4.365 6.343 2.384 1.00 0.00 C ATOM 475 O PHE A 30 5.197 5.519 2.755 1.00 0.00 O ATOM 476 CB PHE A 30 2.903 7.544 4.038 1.00 0.00 C ATOM 477 CG PHE A 30 2.765 8.804 4.884 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.869 9.305 5.604 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.530 9.481 4.955 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.733 10.457 6.374 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.409 10.632 5.730 1.00 0.00 C ATOM 482 CZ PHE A 30 2.507 11.116 6.436 1.00 0.00 C ATOM 0 H PHE A 30 3.128 9.157 2.220 1.00 0.00 H new ATOM 0 HA PHE A 30 4.993 7.783 3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.020 7.422 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.958 6.669 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.820 8.795 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.677 9.107 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.579 10.841 6.924 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.463 11.149 5.783 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.408 12.009 7.036 1.00 0.00 H new ATOM 492 N ILE A 31 3.656 6.229 1.250 1.00 0.00 N ATOM 493 CA ILE A 31 3.828 5.083 0.379 1.00 0.00 C ATOM 494 C ILE A 31 5.245 5.088 -0.162 1.00 0.00 C ATOM 495 O ILE A 31 5.924 4.085 -0.135 1.00 0.00 O ATOM 496 CB ILE A 31 2.804 5.094 -0.782 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.440 4.605 -0.247 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.285 4.180 -1.938 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.363 4.691 -1.336 1.00 0.00 C ATOM 0 H ILE A 31 2.970 6.912 0.928 1.00 0.00 H new ATOM 0 HA ILE A 31 3.653 4.173 0.953 1.00 0.00 H new ATOM 0 HB ILE A 31 2.706 6.107 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.529 3.576 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.144 5.208 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.553 4.199 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.245 4.538 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.395 3.159 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.588 4.341 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.260 5.725 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.651 4.068 -2.183 1.00 0.00 H new ATOM 511 N ASP A 32 5.688 6.230 -0.639 1.00 0.00 N ATOM 512 CA ASP A 32 7.036 6.331 -1.182 1.00 0.00 C ATOM 513 C ASP A 32 8.084 6.000 -0.129 1.00 0.00 C ATOM 514 O ASP A 32 9.060 5.304 -0.408 1.00 0.00 O ATOM 515 CB ASP A 32 7.269 7.737 -1.757 1.00 0.00 C ATOM 516 CG ASP A 32 6.732 7.828 -3.186 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.137 7.016 -4.005 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.936 8.715 -3.445 1.00 0.00 O ATOM 0 H ASP A 32 5.148 7.095 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 32 7.135 5.601 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.776 8.479 -1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.334 7.968 -1.747 1.00 0.00 H new ATOM 523 N SER A 33 7.853 6.478 1.078 1.00 0.00 N ATOM 524 CA SER A 33 8.751 6.212 2.197 1.00 0.00 C ATOM 525 C SER A 33 8.720 4.717 2.509 1.00 0.00 C ATOM 526 O SER A 33 9.743 4.100 2.792 1.00 0.00 O ATOM 527 CB SER A 33 8.307 7.023 3.408 1.00 0.00 C ATOM 528 OG SER A 33 8.373 8.408 3.096 1.00 0.00 O ATOM 0 H SER A 33 7.047 7.057 1.315 1.00 0.00 H new ATOM 0 HA SER A 33 9.770 6.502 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.290 6.750 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.945 6.800 4.263 1.00 0.00 H new ATOM 0 HG SER A 33 7.635 8.643 2.495 1.00 0.00 H new ATOM 534 N LEU A 34 7.519 4.158 2.391 1.00 0.00 N ATOM 535 CA LEU A 34 7.270 2.730 2.580 1.00 0.00 C ATOM 536 C LEU A 34 8.084 1.950 1.552 1.00 0.00 C ATOM 537 O LEU A 34 8.836 1.035 1.882 1.00 0.00 O ATOM 538 CB LEU A 34 5.773 2.504 2.339 1.00 0.00 C ATOM 539 CG LEU A 34 5.015 2.331 3.651 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.746 3.187 3.662 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.625 0.876 3.786 1.00 0.00 C ATOM 0 H LEU A 34 6.680 4.690 2.159 1.00 0.00 H new ATOM 0 HA LEU A 34 7.554 2.399 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.361 3.349 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.633 1.620 1.717 1.00 0.00 H new ATOM 0 HG LEU A 34 5.653 2.644 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.221 3.048 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.014 4.237 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.097 2.886 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.081 0.730 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.990 0.590 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.523 0.257 3.789 1.00 0.00 H new ATOM 553 N ARG A 35 7.923 2.361 0.305 1.00 0.00 N ATOM 554 CA ARG A 35 8.630 1.762 -0.830 1.00 0.00 C ATOM 555 C ARG A 35 10.142 1.891 -0.652 1.00 0.00 C ATOM 556 O ARG A 35 10.890 0.935 -0.869 1.00 0.00 O ATOM 557 CB ARG A 35 8.223 2.497 -2.109 1.00 0.00 C ATOM 558 CG ARG A 35 6.735 2.291 -2.370 1.00 0.00 C ATOM 559 CD ARG A 35 6.271 3.178 -3.526 1.00 0.00 C ATOM 560 NE ARG A 35 6.837 2.712 -4.779 1.00 0.00 N ATOM 561 CZ ARG A 35 6.464 1.566 -5.331 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.643 0.769 -4.705 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.910 1.249 -6.507 1.00 0.00 N ATOM 0 H ARG A 35 7.297 3.123 0.044 1.00 0.00 H new ATOM 0 HA ARG A 35 8.368 0.706 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.441 3.561 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.805 2.127 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.542 1.244 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.165 2.526 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.183 3.169 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.572 4.210 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 35 7.541 3.282 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.284 1.026 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.360 -0.111 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.543 1.880 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.628 0.369 -6.939 1.00 0.00 H new ATOM 577 N ASP A 36 10.570 3.087 -0.250 1.00 0.00 N ATOM 578 CA ASP A 36 11.984 3.377 -0.029 1.00 0.00 C ATOM 579 C ASP A 36 12.513 2.580 1.153 1.00 0.00 C ATOM 580 O ASP A 36 13.640 2.080 1.130 1.00 0.00 O ATOM 581 CB ASP A 36 12.165 4.867 0.234 1.00 0.00 C ATOM 582 CG ASP A 36 13.651 5.222 0.288 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.224 5.459 -0.764 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.196 5.250 1.380 1.00 0.00 O ATOM 0 H ASP A 36 9.950 3.877 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 36 12.544 3.092 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.675 5.443 -0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.686 5.138 1.175 1.00 0.00 H new ATOM 589 N ASP A 37 11.678 2.471 2.181 1.00 0.00 N ATOM 590 CA ASP A 37 12.032 1.741 3.387 1.00 0.00 C ATOM 591 C ASP A 37 10.793 1.086 3.986 1.00 0.00 C ATOM 592 O ASP A 37 10.021 1.723 4.708 1.00 0.00 O ATOM 593 CB ASP A 37 12.694 2.677 4.408 1.00 0.00 C ATOM 594 CG ASP A 37 13.362 1.861 5.519 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.655 1.158 6.222 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.571 1.950 5.648 1.00 0.00 O ATOM 0 H ASP A 37 10.745 2.883 2.200 1.00 0.00 H new ATOM 0 HA ASP A 37 12.747 0.961 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.435 3.303 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.948 3.346 4.837 1.00 0.00 H new ATOM 601 N PRO A 38 10.593 -0.174 3.688 1.00 0.00 N ATOM 602 CA PRO A 38 9.426 -0.938 4.194 1.00 0.00 C ATOM 603 C PRO A 38 9.489 -1.191 5.694 1.00 0.00 C ATOM 604 O PRO A 38 8.459 -1.307 6.354 1.00 0.00 O ATOM 605 CB PRO A 38 9.452 -2.249 3.419 1.00 0.00 C ATOM 606 CG PRO A 38 10.608 -2.206 2.474 1.00 0.00 C ATOM 607 CD PRO A 38 11.463 -1.002 2.839 1.00 0.00 C ATOM 0 HA PRO A 38 8.502 -0.378 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.550 -3.093 4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.519 -2.387 2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.192 -3.124 2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.257 -2.128 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.366 -1.303 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.783 -0.459 1.950 1.00 0.00 H new ATOM 615 N SER A 39 10.701 -1.262 6.227 1.00 0.00 N ATOM 616 CA SER A 39 10.885 -1.477 7.659 1.00 0.00 C ATOM 617 C SER A 39 10.269 -0.304 8.411 1.00 0.00 C ATOM 618 O SER A 39 9.788 -0.444 9.537 1.00 0.00 O ATOM 619 CB SER A 39 12.374 -1.593 8.000 1.00 0.00 C ATOM 620 OG SER A 39 12.993 -2.507 7.103 1.00 0.00 O ATOM 0 H SER A 39 11.567 -1.175 5.695 1.00 0.00 H new ATOM 0 HA SER A 39 10.397 -2.407 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.852 -0.616 7.929 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.498 -1.934 9.028 1.00 0.00 H new ATOM 0 HG SER A 39 13.946 -2.582 7.318 1.00 0.00 H new ATOM 626 N GLN A 40 10.288 0.855 7.749 1.00 0.00 N ATOM 627 CA GLN A 40 9.736 2.079 8.306 1.00 0.00 C ATOM 628 C GLN A 40 8.228 2.169 8.068 1.00 0.00 C ATOM 629 O GLN A 40 7.598 3.129 8.469 1.00 0.00 O ATOM 630 CB GLN A 40 10.420 3.297 7.658 1.00 0.00 C ATOM 631 CG GLN A 40 11.475 3.883 8.601 1.00 0.00 C ATOM 632 CD GLN A 40 12.692 2.962 8.681 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.605 1.856 9.214 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.829 3.354 8.175 1.00 0.00 N ATOM 0 H GLN A 40 10.686 0.965 6.816 1.00 0.00 H new ATOM 0 HA GLN A 40 9.918 2.070 9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.887 3.002 6.718 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.675 4.056 7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.780 4.868 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.048 4.018 9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.902 4.270 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.645 2.744 8.221 1.00 0.00 H new ATOM 643 N SER A 41 7.656 1.179 7.399 1.00 0.00 N ATOM 644 CA SER A 41 6.228 1.195 7.081 1.00 0.00 C ATOM 645 C SER A 41 5.364 1.532 8.300 1.00 0.00 C ATOM 646 O SER A 41 4.393 2.283 8.189 1.00 0.00 O ATOM 647 CB SER A 41 5.851 -0.199 6.585 1.00 0.00 C ATOM 648 OG SER A 41 4.465 -0.257 6.324 1.00 0.00 O ATOM 0 H SER A 41 8.154 0.354 7.065 1.00 0.00 H new ATOM 0 HA SER A 41 6.048 1.964 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.411 -0.436 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.121 -0.946 7.332 1.00 0.00 H new ATOM 0 HG SER A 41 4.079 -1.036 6.777 1.00 0.00 H new ATOM 654 N ALA A 42 5.742 1.003 9.452 1.00 0.00 N ATOM 655 CA ALA A 42 5.024 1.267 10.692 1.00 0.00 C ATOM 656 C ALA A 42 5.186 2.721 11.088 1.00 0.00 C ATOM 657 O ALA A 42 4.263 3.366 11.583 1.00 0.00 O ATOM 658 CB ALA A 42 5.631 0.421 11.795 1.00 0.00 C ATOM 0 H ALA A 42 6.546 0.385 9.556 1.00 0.00 H new ATOM 0 HA ALA A 42 3.969 1.034 10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.103 0.609 12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.544 -0.634 11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.683 0.679 11.915 1.00 0.00 H new ATOM 664 N ASN A 43 6.398 3.203 10.870 1.00 0.00 N ATOM 665 CA ASN A 43 6.773 4.560 11.193 1.00 0.00 C ATOM 666 C ASN A 43 6.041 5.560 10.308 1.00 0.00 C ATOM 667 O ASN A 43 5.704 6.656 10.729 1.00 0.00 O ATOM 668 CB ASN A 43 8.278 4.689 10.985 1.00 0.00 C ATOM 669 CG ASN A 43 9.028 4.262 12.244 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.943 4.926 13.275 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.763 3.184 12.218 1.00 0.00 N ATOM 0 H ASN A 43 7.153 2.654 10.460 1.00 0.00 H new ATOM 0 HA ASN A 43 6.502 4.778 12.226 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.589 4.072 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.530 5.720 10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.268 2.891 13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.832 2.634 11.361 1.00 0.00 H new ATOM 678 N LEU A 44 5.821 5.151 9.077 1.00 0.00 N ATOM 679 CA LEU A 44 5.150 5.959 8.071 1.00 0.00 C ATOM 680 C LEU A 44 3.692 5.999 8.374 1.00 0.00 C ATOM 681 O LEU A 44 3.030 7.026 8.257 1.00 0.00 O ATOM 682 CB LEU A 44 5.461 5.321 6.732 1.00 0.00 C ATOM 683 CG LEU A 44 6.985 5.309 6.643 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.478 4.369 5.566 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.444 6.722 6.405 1.00 0.00 C ATOM 0 H LEU A 44 6.107 4.233 8.737 1.00 0.00 H new ATOM 0 HA LEU A 44 5.490 6.994 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.054 4.311 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.022 5.890 5.912 1.00 0.00 H new ATOM 0 HG LEU A 44 7.407 4.935 7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.567 4.390 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.141 3.356 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.082 4.683 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.532 6.745 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.014 7.092 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.119 7.354 7.231 1.00 0.00 H new ATOM 697 N LEU A 45 3.247 4.872 8.850 1.00 0.00 N ATOM 698 CA LEU A 45 1.887 4.727 9.304 1.00 0.00 C ATOM 699 C LEU A 45 1.732 5.619 10.528 1.00 0.00 C ATOM 700 O LEU A 45 0.717 6.277 10.722 1.00 0.00 O ATOM 701 CB LEU A 45 1.619 3.259 9.638 1.00 0.00 C ATOM 702 CG LEU A 45 0.363 3.112 10.504 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.849 3.717 9.785 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.129 1.624 10.772 1.00 0.00 C ATOM 0 H LEU A 45 3.812 4.027 8.936 1.00 0.00 H new ATOM 0 HA LEU A 45 1.167 5.022 8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.498 2.689 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.477 2.839 10.162 1.00 0.00 H new ATOM 0 HG LEU A 45 0.499 3.642 11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.735 3.607 10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.669 4.775 9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.006 3.200 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.762 1.501 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.009 1.101 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.991 1.208 11.294 1.00 0.00 H new ATOM 716 N ALA A 46 2.794 5.654 11.321 1.00 0.00 N ATOM 717 CA ALA A 46 2.837 6.480 12.511 1.00 0.00 C ATOM 718 C ALA A 46 2.803 7.940 12.118 1.00 0.00 C ATOM 719 O ALA A 46 2.045 8.735 12.666 1.00 0.00 O ATOM 720 CB ALA A 46 4.132 6.221 13.273 1.00 0.00 C ATOM 0 H ALA A 46 3.643 5.113 11.156 1.00 0.00 H new ATOM 0 HA ALA A 46 1.978 6.237 13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.159 6.844 14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.181 5.171 13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.983 6.462 12.636 1.00 0.00 H new ATOM 726 N GLU A 47 3.629 8.259 11.135 1.00 0.00 N ATOM 727 CA GLU A 47 3.729 9.590 10.605 1.00 0.00 C ATOM 728 C GLU A 47 2.412 9.992 10.000 1.00 0.00 C ATOM 729 O GLU A 47 1.994 11.134 10.091 1.00 0.00 O ATOM 730 CB GLU A 47 4.781 9.602 9.508 1.00 0.00 C ATOM 731 CG GLU A 47 6.199 9.670 10.068 1.00 0.00 C ATOM 732 CD GLU A 47 6.331 10.781 11.114 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.067 11.925 10.777 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.692 10.471 12.238 1.00 0.00 O ATOM 0 H GLU A 47 4.251 7.588 10.685 1.00 0.00 H new ATOM 0 HA GLU A 47 3.997 10.280 11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.676 8.705 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.610 10.456 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.461 8.712 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.905 9.846 9.256 1.00 0.00 H new ATOM 741 N ALA A 48 1.767 9.025 9.381 1.00 0.00 N ATOM 742 CA ALA A 48 0.501 9.247 8.758 1.00 0.00 C ATOM 743 C ALA A 48 -0.538 9.520 9.821 1.00 0.00 C ATOM 744 O ALA A 48 -1.288 10.482 9.726 1.00 0.00 O ATOM 745 CB ALA A 48 0.159 8.016 7.958 1.00 0.00 C ATOM 0 H ALA A 48 2.114 8.069 9.302 1.00 0.00 H new ATOM 0 HA ALA A 48 0.532 10.111 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.805 8.156 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.927 7.847 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.107 7.153 8.622 1.00 0.00 H new ATOM 751 N LYS A 49 -0.529 8.693 10.867 1.00 0.00 N ATOM 752 CA LYS A 49 -1.438 8.888 11.986 1.00 0.00 C ATOM 753 C LYS A 49 -1.180 10.262 12.579 1.00 0.00 C ATOM 754 O LYS A 49 -2.091 10.916 13.072 1.00 0.00 O ATOM 755 CB LYS A 49 -1.229 7.797 13.048 1.00 0.00 C ATOM 756 CG LYS A 49 -1.692 6.436 12.503 1.00 0.00 C ATOM 757 CD LYS A 49 -3.218 6.306 12.627 1.00 0.00 C ATOM 758 CE LYS A 49 -3.697 5.058 11.875 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.022 3.846 12.426 1.00 0.00 N ATOM 0 H LYS A 49 0.093 7.890 10.959 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.469 8.821 11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.177 7.747 13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.787 8.045 13.951 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.395 6.334 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.205 5.631 13.053 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.502 6.240 13.677 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.702 7.194 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.778 4.958 11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.478 5.156 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.350 3.003 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.992 3.941 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.253 3.749 13.435 1.00 0.00 H new ATOM 773 N LYS A 50 0.078 10.699 12.494 1.00 0.00 N ATOM 774 CA LYS A 50 0.461 12.003 12.991 1.00 0.00 C ATOM 775 C LYS A 50 -0.014 13.096 12.055 1.00 0.00 C ATOM 776 O LYS A 50 -0.496 14.140 12.495 1.00 0.00 O ATOM 777 CB LYS A 50 1.983 12.075 13.155 1.00 0.00 C ATOM 778 CG LYS A 50 2.413 11.270 14.382 1.00 0.00 C ATOM 779 CD LYS A 50 3.943 11.257 14.471 1.00 0.00 C ATOM 780 CE LYS A 50 4.401 10.056 15.302 1.00 0.00 C ATOM 781 NZ LYS A 50 5.149 9.108 14.428 1.00 0.00 N ATOM 0 H LYS A 50 0.842 10.162 12.084 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.011 12.154 13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.472 11.684 12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.297 13.113 13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.989 11.708 15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.033 10.251 14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.375 11.206 13.471 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.298 12.182 14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.035 10.389 16.124 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.540 9.557 15.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.403 8.260 14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.552 8.835 13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.015 9.567 14.079 1.00 0.00 H new ATOM 795 N LEU A 51 0.143 12.846 10.764 1.00 0.00 N ATOM 796 CA LEU A 51 -0.253 13.807 9.753 1.00 0.00 C ATOM 797 C LEU A 51 -1.762 13.921 9.690 1.00 0.00 C ATOM 798 O LEU A 51 -2.305 15.022 9.613 1.00 0.00 O ATOM 799 CB LEU A 51 0.305 13.410 8.379 1.00 0.00 C ATOM 800 CG LEU A 51 1.632 14.133 8.096 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.448 15.652 8.223 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.719 13.651 9.071 1.00 0.00 C ATOM 0 H LEU A 51 0.543 11.984 10.394 1.00 0.00 H new ATOM 0 HA LEU A 51 0.160 14.778 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.459 12.332 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.420 13.655 7.603 1.00 0.00 H new ATOM 0 HG LEU A 51 1.944 13.901 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.395 16.151 8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.699 15.989 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.119 15.895 9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.654 14.171 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.409 13.862 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.866 12.578 8.951 1.00 0.00 H new ATOM 814 N ASN A 52 -2.432 12.774 9.740 1.00 0.00 N ATOM 815 CA ASN A 52 -3.873 12.752 9.710 1.00 0.00 C ATOM 816 C ASN A 52 -4.390 13.424 10.977 1.00 0.00 C ATOM 817 O ASN A 52 -5.322 14.223 10.933 1.00 0.00 O ATOM 818 CB ASN A 52 -4.372 11.301 9.595 1.00 0.00 C ATOM 819 CG ASN A 52 -5.012 10.822 10.893 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.326 10.363 11.801 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.296 10.907 11.029 1.00 0.00 N ATOM 0 H ASN A 52 -1.993 11.855 9.801 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.248 13.295 8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.096 11.228 8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.538 10.648 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.739 10.592 11.892 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.865 11.289 10.273 1.00 0.00 H new ATOM 828 N ASP A 53 -3.754 13.093 12.108 1.00 0.00 N ATOM 829 CA ASP A 53 -4.138 13.676 13.384 1.00 0.00 C ATOM 830 C ASP A 53 -3.912 15.182 13.348 1.00 0.00 C ATOM 831 O ASP A 53 -4.723 15.958 13.856 1.00 0.00 O ATOM 832 CB ASP A 53 -3.340 13.048 14.527 1.00 0.00 C ATOM 833 CG ASP A 53 -3.787 13.614 15.874 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.301 14.670 16.246 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.615 12.983 16.513 1.00 0.00 O ATOM 0 H ASP A 53 -2.980 12.431 12.158 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.195 13.476 13.558 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.474 11.966 14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.277 13.238 14.382 1.00 0.00 H new ATOM 840 N ALA A 54 -2.806 15.581 12.722 1.00 0.00 N ATOM 841 CA ALA A 54 -2.473 16.986 12.584 1.00 0.00 C ATOM 842 C ALA A 54 -3.508 17.661 11.689 1.00 0.00 C ATOM 843 O ALA A 54 -3.918 18.796 11.935 1.00 0.00 O ATOM 844 CB ALA A 54 -1.077 17.130 11.974 1.00 0.00 C ATOM 0 H ALA A 54 -2.128 14.944 12.303 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.478 17.462 13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.832 18.187 11.872 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.345 16.648 12.622 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.058 16.657 10.992 1.00 0.00 H new ATOM 850 N GLN A 55 -3.934 16.926 10.657 1.00 0.00 N ATOM 851 CA GLN A 55 -4.936 17.416 9.716 1.00 0.00 C ATOM 852 C GLN A 55 -6.350 17.078 10.203 1.00 0.00 C ATOM 853 O GLN A 55 -7.329 17.276 9.480 1.00 0.00 O ATOM 854 CB GLN A 55 -4.684 16.774 8.353 1.00 0.00 C ATOM 855 CG GLN A 55 -3.415 17.366 7.732 1.00 0.00 C ATOM 856 CD GLN A 55 -3.012 16.547 6.515 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.703 15.293 6.671 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -2.979 17.059 5.396 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.596 15.985 10.455 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.858 18.500 9.638 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.578 15.695 8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.537 16.946 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.589 18.403 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.607 17.370 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.222 18.043 5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.709 16.500 4.587 1.00 0.00 H new ATOM 867 N ALA A 56 -6.443 16.564 11.433 1.00 0.00 N ATOM 868 CA ALA A 56 -7.731 16.193 12.018 1.00 0.00 C ATOM 869 C ALA A 56 -8.595 17.425 12.265 1.00 0.00 C ATOM 870 O ALA A 56 -8.106 18.556 12.225 1.00 0.00 O ATOM 871 CB ALA A 56 -7.512 15.427 13.326 1.00 0.00 C ATOM 0 H ALA A 56 -5.641 16.396 12.041 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.255 15.549 11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.477 15.155 13.754 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.936 14.523 13.126 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.967 16.057 14.030 1.00 0.00 H new ATOM 877 N PRO A 57 -9.874 17.224 12.493 1.00 0.00 N ATOM 878 CA PRO A 57 -10.852 18.320 12.719 1.00 0.00 C ATOM 879 C PRO A 57 -10.828 18.841 14.156 1.00 0.00 C ATOM 880 O PRO A 57 -11.860 19.198 14.729 1.00 0.00 O ATOM 881 CB PRO A 57 -12.200 17.663 12.361 1.00 0.00 C ATOM 882 CG PRO A 57 -11.894 16.257 11.954 1.00 0.00 C ATOM 883 CD PRO A 57 -10.558 15.933 12.571 1.00 0.00 C ATOM 0 HA PRO A 57 -10.636 19.205 12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.878 17.681 13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.691 18.203 11.551 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.664 15.571 12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.857 16.163 10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.656 15.583 13.599 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.030 15.156 12.019 1.00 0.00 H new ATOM 891 N LYS A 58 -9.628 18.890 14.711 1.00 0.00 N ATOM 892 CA LYS A 58 -9.425 19.378 16.076 1.00 0.00 C ATOM 893 C LYS A 58 -9.674 20.886 16.159 1.00 0.00 C ATOM 894 O LYS A 58 -10.322 21.310 17.102 1.00 0.00 O ATOM 895 CB LYS A 58 -8.006 19.065 16.537 1.00 0.00 C ATOM 896 CG LYS A 58 -7.845 17.555 16.748 1.00 0.00 C ATOM 897 CD LYS A 58 -6.434 17.253 17.272 1.00 0.00 C ATOM 898 CE LYS A 58 -6.258 15.743 17.458 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.386 15.059 16.142 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.212 21.595 15.277 1.00 0.00 O ATOM 0 H LYS A 58 -8.772 18.597 14.239 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.138 18.873 16.728 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.288 19.416 15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.791 19.595 17.465 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.591 17.196 17.457 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.016 17.027 15.810 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.688 17.631 16.573 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.271 17.766 18.220 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.282 15.532 17.896 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.008 15.362 18.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.053 14.077 16.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.383 15.062 15.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.812 15.559 15.434 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -17.260 -4.109 3.812 1.00 0.00 N ATOM 916 CA VAL B 1 -16.817 -3.834 2.415 1.00 0.00 C ATOM 917 C VAL B 1 -15.601 -4.703 2.086 1.00 0.00 C ATOM 918 O VAL B 1 -15.447 -5.167 0.954 1.00 0.00 O ATOM 919 CB VAL B 1 -16.480 -2.335 2.270 1.00 0.00 C ATOM 920 CG1 VAL B 1 -15.292 -1.957 3.170 1.00 0.00 C ATOM 921 CG2 VAL B 1 -16.133 -2.018 0.807 1.00 0.00 C ATOM 0 H1 VAL B 1 -18.107 -3.544 4.025 1.00 0.00 H new ATOM 0 H2 VAL B 1 -17.484 -5.120 3.913 1.00 0.00 H new ATOM 0 H3 VAL B 1 -16.499 -3.855 4.474 1.00 0.00 H new ATOM 0 HA VAL B 1 -17.616 -4.078 1.715 1.00 0.00 H new ATOM 0 HB VAL B 1 -17.351 -1.755 2.575 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -15.070 -0.896 3.053 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -15.544 -2.163 4.210 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -14.419 -2.544 2.885 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -15.896 -0.958 0.711 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -15.272 -2.612 0.500 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -16.985 -2.259 0.171 1.00 0.00 H new ATOM 933 N ASP B 2 -14.742 -4.915 3.085 1.00 0.00 N ATOM 934 CA ASP B 2 -13.542 -5.726 2.902 1.00 0.00 C ATOM 935 C ASP B 2 -13.902 -7.204 2.789 1.00 0.00 C ATOM 936 O ASP B 2 -14.665 -7.732 3.600 1.00 0.00 O ATOM 937 CB ASP B 2 -12.587 -5.521 4.088 1.00 0.00 C ATOM 938 CG ASP B 2 -12.084 -4.071 4.153 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.059 -3.409 3.125 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.710 -3.650 5.233 1.00 0.00 O ATOM 0 H ASP B 2 -14.856 -4.537 4.025 1.00 0.00 H new ATOM 0 HA ASP B 2 -13.053 -5.412 1.980 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -13.098 -5.773 5.017 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -11.739 -6.199 3.996 1.00 0.00 H new ATOM 945 N ASN B 3 -13.343 -7.860 1.774 1.00 0.00 N ATOM 946 CA ASN B 3 -13.591 -9.274 1.542 1.00 0.00 C ATOM 947 C ASN B 3 -12.678 -10.129 2.419 1.00 0.00 C ATOM 948 O ASN B 3 -11.808 -9.606 3.119 1.00 0.00 O ATOM 949 CB ASN B 3 -13.340 -9.619 0.066 1.00 0.00 C ATOM 950 CG ASN B 3 -14.247 -8.791 -0.847 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.915 -8.624 -2.096 1.00 0.00 O flip ATOM 952 ND2 ASN B 3 -15.282 -8.283 -0.414 1.00 0.00 N flip ATOM 0 H ASN B 3 -12.713 -7.429 1.098 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.630 -9.484 1.795 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.296 -9.431 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -13.521 -10.681 -0.100 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.544 -8.413 0.563 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.878 -7.733 -1.033 1.00 0.00 H new ATOM 959 N LYS B 4 -12.871 -11.445 2.347 1.00 0.00 N ATOM 960 CA LYS B 4 -12.050 -12.393 3.110 1.00 0.00 C ATOM 961 C LYS B 4 -10.574 -12.136 2.832 1.00 0.00 C ATOM 962 O LYS B 4 -9.725 -12.238 3.719 1.00 0.00 O ATOM 963 CB LYS B 4 -12.400 -13.831 2.705 1.00 0.00 C ATOM 964 CG LYS B 4 -12.753 -13.893 1.203 1.00 0.00 C ATOM 965 CD LYS B 4 -12.374 -15.262 0.635 1.00 0.00 C ATOM 966 CE LYS B 4 -13.181 -16.341 1.346 1.00 0.00 C ATOM 967 NZ LYS B 4 -13.117 -17.610 0.569 1.00 0.00 N ATOM 0 H LYS B 4 -13.588 -11.882 1.769 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.249 -12.258 4.173 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.558 -14.491 2.915 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.241 -14.189 3.299 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.819 -13.714 1.063 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -12.225 -13.107 0.664 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.570 -15.291 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.307 -15.442 0.769 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -12.789 -16.499 2.351 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -14.217 -16.021 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -13.669 -18.344 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.510 -17.455 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -12.127 -17.918 0.488 1.00 0.00 H new ATOM 981 N PHE B 5 -10.302 -11.804 1.578 1.00 0.00 N ATOM 982 CA PHE B 5 -8.962 -11.519 1.103 1.00 0.00 C ATOM 983 C PHE B 5 -8.344 -10.291 1.772 1.00 0.00 C ATOM 984 O PHE B 5 -7.295 -9.860 1.349 1.00 0.00 O ATOM 985 CB PHE B 5 -9.006 -11.311 -0.420 1.00 0.00 C ATOM 986 CG PHE B 5 -8.909 -12.642 -1.127 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.607 -13.754 -0.636 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.121 -12.763 -2.278 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.514 -14.982 -1.296 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.030 -13.992 -2.935 1.00 0.00 C ATOM 991 CZ PHE B 5 -8.725 -15.103 -2.445 1.00 0.00 C ATOM 0 H PHE B 5 -11.017 -11.725 0.855 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.332 -12.370 1.361 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.932 -10.808 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.185 -10.664 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.216 -13.662 0.251 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.584 -11.906 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.052 -15.839 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.422 -14.085 -3.823 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.652 -16.053 -2.953 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.967 -9.731 2.817 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.374 -8.564 3.495 1.00 0.00 C ATOM 1003 C ASN B 6 -6.959 -8.911 3.941 1.00 0.00 C ATOM 1004 O ASN B 6 -6.034 -8.125 3.750 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.224 -8.148 4.703 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.772 -6.779 5.212 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.550 -5.825 5.210 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.550 -6.622 5.637 1.00 0.00 N ATOM 0 H ASN B 6 -9.854 -10.052 3.205 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.343 -7.725 2.800 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.277 -8.112 4.423 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.131 -8.889 5.497 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.238 -5.709 5.968 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.905 -7.412 5.639 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.794 -10.118 4.480 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.476 -10.592 4.893 1.00 0.00 C ATOM 1017 C LYS B 7 -4.567 -10.632 3.667 1.00 0.00 C ATOM 1018 O LYS B 7 -3.417 -10.193 3.707 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.608 -12.004 5.486 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.226 -12.560 5.863 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.360 -14.032 6.275 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.967 -14.648 6.452 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.307 -14.775 5.119 1.00 0.00 N ATOM 0 H LYS B 7 -7.552 -10.781 4.640 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.054 -9.926 5.645 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.248 -11.976 6.368 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.088 -12.665 4.764 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.543 -12.469 5.018 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.800 -11.980 6.682 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.923 -14.110 7.205 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.918 -14.582 5.517 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.363 -14.025 7.111 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.048 -15.627 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.909 -15.730 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.007 -14.611 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.544 -14.072 5.041 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.128 -11.166 2.586 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.433 -11.299 1.312 1.00 0.00 C ATOM 1039 C GLU B 8 -4.202 -9.935 0.652 1.00 0.00 C ATOM 1040 O GLU B 8 -3.217 -9.736 -0.063 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.283 -12.191 0.384 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.453 -13.589 1.011 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.108 -14.145 1.493 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.229 -14.329 0.667 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.973 -14.360 2.690 1.00 0.00 O ATOM 0 H GLU B 8 -6.084 -11.521 2.571 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.455 -11.748 1.488 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.259 -11.735 0.221 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.804 -12.276 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.148 -13.533 1.849 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.890 -14.269 0.279 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.134 -9.017 0.888 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.083 -7.685 0.319 1.00 0.00 C ATOM 1054 C ARG B 9 -3.853 -6.929 0.802 1.00 0.00 C ATOM 1055 O ARG B 9 -3.160 -6.303 0.008 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.345 -6.906 0.709 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.266 -5.478 0.154 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.561 -4.725 0.458 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.744 -4.597 1.902 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.951 -4.450 2.434 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.888 -5.318 2.180 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.194 -3.438 3.214 1.00 0.00 N ATOM 0 H ARG B 9 -5.947 -9.182 1.482 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.027 -7.781 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.229 -7.409 0.319 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.446 -6.879 1.794 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.419 -4.954 0.596 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.097 -5.506 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.532 -3.737 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.409 -5.254 0.022 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.928 -4.621 2.513 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.695 -6.113 1.571 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.815 -5.203 2.590 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.458 -2.761 3.415 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.120 -3.322 3.625 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.585 -6.992 2.109 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.429 -6.293 2.657 1.00 0.00 C ATOM 1078 C VAL B 10 -1.155 -6.854 2.038 1.00 0.00 C ATOM 1079 O VAL B 10 -0.232 -6.108 1.748 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.392 -6.289 4.215 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.754 -6.694 4.822 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.292 -7.201 4.757 1.00 0.00 C ATOM 0 H VAL B 10 -4.141 -7.508 2.791 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.512 -5.240 2.386 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.171 -5.265 4.515 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.686 -6.679 5.910 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.521 -5.991 4.496 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -4.017 -7.698 4.489 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.298 -7.171 5.847 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.468 -8.223 4.421 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.324 -6.861 4.390 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.117 -8.165 1.807 1.00 0.00 N ATOM 1093 CA ILE B 11 0.057 -8.772 1.187 1.00 0.00 C ATOM 1094 C ILE B 11 0.250 -8.184 -0.212 1.00 0.00 C ATOM 1095 O ILE B 11 1.380 -7.916 -0.623 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.075 -10.299 1.097 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.478 -10.867 2.475 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.279 -10.887 0.663 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.148 -12.254 2.702 1.00 0.00 C ATOM 0 H ILE B 11 -1.869 -8.815 2.035 1.00 0.00 H new ATOM 0 HA ILE B 11 0.924 -8.551 1.809 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.842 -10.565 0.369 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.156 -10.185 3.262 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.564 -10.939 2.540 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.200 -11.972 0.595 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.557 -10.482 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.042 -10.624 1.396 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.151 -12.633 3.679 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.195 -12.939 1.927 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.234 -12.174 2.661 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.864 -7.959 -0.929 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.794 -7.376 -2.260 1.00 0.00 C ATOM 1113 C ALA B 12 -0.286 -5.972 -2.158 1.00 0.00 C ATOM 1114 O ALA B 12 0.666 -5.626 -2.829 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.183 -7.361 -2.889 1.00 0.00 C ATOM 0 H ALA B 12 -1.808 -8.172 -0.606 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.122 -7.970 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.126 -6.924 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.561 -8.381 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.856 -6.768 -2.270 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.875 -5.197 -1.253 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.437 -3.828 -1.035 1.00 0.00 C ATOM 1123 C ILE B 13 1.034 -3.884 -0.693 1.00 0.00 C ATOM 1124 O ILE B 13 1.817 -3.067 -1.130 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.262 -3.214 0.113 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.728 -3.258 -0.280 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.892 -1.752 0.352 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.616 -3.014 0.929 1.00 0.00 C ATOM 0 H ILE B 13 -1.652 -5.494 -0.663 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.584 -3.205 -1.917 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.061 -3.782 1.021 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.928 -2.505 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.963 -4.227 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.494 -1.353 1.168 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.164 -1.682 0.612 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.082 -1.176 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.662 -3.050 0.625 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.429 -3.783 1.679 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.394 -2.034 1.352 1.00 0.00 H new ATOM 1140 N GLY B 14 1.394 -4.910 0.047 1.00 0.00 N ATOM 1141 CA GLY B 14 2.779 -5.129 0.417 1.00 0.00 C ATOM 1142 C GLY B 14 3.658 -5.400 -0.800 1.00 0.00 C ATOM 1143 O GLY B 14 4.746 -4.854 -0.909 1.00 0.00 O ATOM 0 H GLY B 14 0.745 -5.610 0.407 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.155 -4.255 0.949 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.842 -5.972 1.105 1.00 0.00 H new ATOM 1147 N GLU B 15 3.189 -6.251 -1.708 1.00 0.00 N ATOM 1148 CA GLU B 15 3.967 -6.602 -2.888 1.00 0.00 C ATOM 1149 C GLU B 15 4.084 -5.418 -3.820 1.00 0.00 C ATOM 1150 O GLU B 15 5.140 -5.159 -4.381 1.00 0.00 O ATOM 1151 CB GLU B 15 3.287 -7.777 -3.599 1.00 0.00 C ATOM 1152 CG GLU B 15 4.207 -8.464 -4.642 1.00 0.00 C ATOM 1153 CD GLU B 15 5.697 -8.287 -4.319 1.00 0.00 C ATOM 1154 OE1 GLU B 15 6.154 -8.892 -3.362 1.00 0.00 O ATOM 1155 OE2 GLU B 15 6.357 -7.555 -5.039 1.00 0.00 O ATOM 0 H GLU B 15 2.279 -6.707 -1.649 1.00 0.00 H new ATOM 0 HA GLU B 15 4.974 -6.890 -2.586 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.974 -8.512 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.384 -7.422 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.972 -9.527 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.001 -8.052 -5.630 1.00 0.00 H new ATOM 1162 N ILE B 16 2.988 -4.700 -3.979 1.00 0.00 N ATOM 1163 CA ILE B 16 3.000 -3.529 -4.867 1.00 0.00 C ATOM 1164 C ILE B 16 4.056 -2.553 -4.374 1.00 0.00 C ATOM 1165 O ILE B 16 4.934 -2.117 -5.119 1.00 0.00 O ATOM 1166 CB ILE B 16 1.638 -2.826 -4.840 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.534 -3.898 -4.765 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.488 -1.922 -6.075 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.491 -3.747 -5.842 1.00 0.00 C ATOM 0 H ILE B 16 2.096 -4.891 -3.523 1.00 0.00 H new ATOM 0 HA ILE B 16 3.217 -3.856 -5.884 1.00 0.00 H new ATOM 0 HB ILE B 16 1.554 -2.183 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.988 -4.886 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.044 -3.842 -3.793 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.517 -1.427 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.279 -1.172 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.561 -2.526 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.244 -4.529 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.968 -2.771 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.010 -3.831 -6.816 1.00 0.00 H new ATOM 1181 N MET B 17 3.961 -2.260 -3.090 1.00 0.00 N ATOM 1182 CA MET B 17 4.903 -1.380 -2.413 1.00 0.00 C ATOM 1183 C MET B 17 6.327 -1.951 -2.521 1.00 0.00 C ATOM 1184 O MET B 17 7.294 -1.191 -2.610 1.00 0.00 O ATOM 1185 CB MET B 17 4.442 -1.215 -0.975 1.00 0.00 C ATOM 1186 CG MET B 17 3.015 -0.638 -0.990 1.00 0.00 C ATOM 1187 SD MET B 17 3.066 1.090 -1.460 1.00 0.00 S ATOM 1188 CE MET B 17 3.892 1.642 0.031 1.00 0.00 C ATOM 0 H MET B 17 3.227 -2.625 -2.483 1.00 0.00 H new ATOM 0 HA MET B 17 4.931 -0.396 -2.880 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.459 -2.175 -0.458 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.115 -0.550 -0.434 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.394 -1.197 -1.690 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.560 -0.744 -0.005 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.241 2.326 0.576 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.122 0.782 0.659 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.816 2.155 -0.234 1.00 0.00 H new ATOM 1198 N ARG B 18 6.445 -3.294 -2.566 1.00 0.00 N ATOM 1199 CA ARG B 18 7.753 -3.944 -2.726 1.00 0.00 C ATOM 1200 C ARG B 18 8.322 -3.662 -4.113 1.00 0.00 C ATOM 1201 O ARG B 18 9.520 -3.413 -4.261 1.00 0.00 O ATOM 1202 CB ARG B 18 7.645 -5.463 -2.566 1.00 0.00 C ATOM 1203 CG ARG B 18 7.578 -5.874 -1.096 1.00 0.00 C ATOM 1204 CD ARG B 18 8.942 -5.735 -0.431 1.00 0.00 C ATOM 1205 NE ARG B 18 9.948 -6.512 -1.150 1.00 0.00 N ATOM 1206 CZ ARG B 18 11.094 -5.966 -1.541 1.00 0.00 C ATOM 1207 NH1 ARG B 18 11.116 -5.160 -2.565 1.00 0.00 N ATOM 1208 NH2 ARG B 18 12.195 -6.234 -0.899 1.00 0.00 N ATOM 0 H ARG B 18 5.658 -3.939 -2.494 1.00 0.00 H new ATOM 0 HA ARG B 18 8.406 -3.539 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.756 -5.821 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.503 -5.940 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.849 -5.254 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.234 -6.905 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.235 -4.685 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.884 -6.074 0.603 1.00 0.00 H new ATOM 0 HE ARG B 18 9.767 -7.494 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.253 -4.948 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG B 18 11.996 -4.741 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG B 18 12.177 -6.863 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG B 18 13.075 -5.815 -1.199 1.00 0.00 H new ATOM 1222 N LEU B 19 7.445 -3.719 -5.126 1.00 0.00 N ATOM 1223 CA LEU B 19 7.851 -3.486 -6.512 1.00 0.00 C ATOM 1224 C LEU B 19 8.541 -2.134 -6.644 1.00 0.00 C ATOM 1225 O LEU B 19 7.905 -1.098 -6.466 1.00 0.00 O ATOM 1226 CB LEU B 19 6.631 -3.509 -7.442 1.00 0.00 C ATOM 1227 CG LEU B 19 5.968 -4.888 -7.482 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.638 -4.778 -8.220 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.854 -5.879 -8.221 1.00 0.00 C ATOM 0 H LEU B 19 6.453 -3.924 -5.008 1.00 0.00 H new ATOM 0 HA LEU B 19 8.541 -4.280 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.906 -2.767 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.937 -3.224 -8.449 1.00 0.00 H new ATOM 0 HG LEU B 19 5.813 -5.236 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.158 -5.756 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.990 -4.074 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.814 -4.425 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.370 -6.855 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.015 -5.532 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.813 -5.961 -7.710 1.00 0.00 H new ATOM 1241 N PRO B 20 9.822 -2.120 -6.935 1.00 0.00 N ATOM 1242 CA PRO B 20 10.600 -0.863 -7.075 1.00 0.00 C ATOM 1243 C PRO B 20 10.388 -0.147 -8.417 1.00 0.00 C ATOM 1244 O PRO B 20 10.845 0.985 -8.581 1.00 0.00 O ATOM 1245 CB PRO B 20 12.062 -1.317 -6.932 1.00 0.00 C ATOM 1246 CG PRO B 20 12.049 -2.794 -6.711 1.00 0.00 C ATOM 1247 CD PRO B 20 10.689 -3.289 -7.161 1.00 0.00 C ATOM 0 HA PRO B 20 10.287 -0.131 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.631 -1.067 -7.827 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.543 -0.808 -6.097 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.844 -3.277 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.219 -3.030 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.695 -3.591 -8.208 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.362 -4.153 -6.582 1.00 0.00 H new ATOM 1255 N ASN B 21 9.722 -0.804 -9.376 1.00 0.00 N ATOM 1256 CA ASN B 21 9.509 -0.189 -10.689 1.00 0.00 C ATOM 1257 C ASN B 21 8.162 0.527 -10.768 1.00 0.00 C ATOM 1258 O ASN B 21 7.975 1.387 -11.634 1.00 0.00 O ATOM 1259 CB ASN B 21 9.605 -1.244 -11.796 1.00 0.00 C ATOM 1260 CG ASN B 21 10.937 -1.987 -11.722 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.982 -3.250 -12.041 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.964 -1.404 -11.376 1.00 0.00 N flip ATOM 0 H ASN B 21 9.330 -1.740 -9.271 1.00 0.00 H new ATOM 0 HA ASN B 21 10.293 0.555 -10.831 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.782 -1.953 -11.702 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.504 -0.766 -12.770 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.930 -0.416 -11.126 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.849 -1.909 -11.339 1.00 0.00 H new ATOM 1269 N LEU B 22 7.221 0.188 -9.875 1.00 0.00 N ATOM 1270 CA LEU B 22 5.914 0.847 -9.902 1.00 0.00 C ATOM 1271 C LEU B 22 6.023 2.301 -9.477 1.00 0.00 C ATOM 1272 O LEU B 22 6.876 2.674 -8.670 1.00 0.00 O ATOM 1273 CB LEU B 22 4.893 0.165 -8.972 1.00 0.00 C ATOM 1274 CG LEU B 22 4.641 -1.288 -9.360 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.397 -1.806 -8.633 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.404 -1.370 -10.846 1.00 0.00 C ATOM 0 H LEU B 22 7.337 -0.517 -9.147 1.00 0.00 H new ATOM 0 HA LEU B 22 5.569 0.773 -10.933 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.255 0.207 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.953 0.716 -9.002 1.00 0.00 H new ATOM 0 HG LEU B 22 5.506 -1.891 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.219 -2.845 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.551 -1.741 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.534 -1.202 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.223 -2.407 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.536 -0.765 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.281 -0.997 -11.375 1.00 0.00 H new ATOM 1288 N ASN B 23 5.113 3.104 -10.007 1.00 0.00 N ATOM 1289 CA ASN B 23 5.041 4.516 -9.672 1.00 0.00 C ATOM 1290 C ASN B 23 4.257 4.644 -8.362 1.00 0.00 C ATOM 1291 O ASN B 23 3.457 3.768 -8.032 1.00 0.00 O ATOM 1292 CB ASN B 23 4.368 5.250 -10.866 1.00 0.00 C ATOM 1293 CG ASN B 23 3.312 6.275 -10.465 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.502 7.054 -9.549 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.194 6.323 -11.137 1.00 0.00 N ATOM 0 H ASN B 23 4.408 2.797 -10.677 1.00 0.00 H new ATOM 0 HA ASN B 23 6.019 4.971 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.140 5.752 -11.449 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.907 4.509 -11.519 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.482 7.012 -10.894 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.032 5.672 -11.905 1.00 0.00 H new ATOM 1302 N SER B 24 4.489 5.727 -7.616 1.00 0.00 N ATOM 1303 CA SER B 24 3.789 5.925 -6.347 1.00 0.00 C ATOM 1304 C SER B 24 2.290 5.975 -6.599 1.00 0.00 C ATOM 1305 O SER B 24 1.504 5.333 -5.903 1.00 0.00 O ATOM 1306 CB SER B 24 4.256 7.227 -5.696 1.00 0.00 C ATOM 1307 OG SER B 24 3.838 8.333 -6.487 1.00 0.00 O ATOM 0 H SER B 24 5.145 6.468 -7.864 1.00 0.00 H new ATOM 0 HA SER B 24 4.012 5.096 -5.675 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.845 7.310 -4.690 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.342 7.227 -5.597 1.00 0.00 H new ATOM 0 HG SER B 24 4.601 8.927 -6.648 1.00 0.00 H new ATOM 1313 N LEU B 25 1.925 6.711 -7.642 1.00 0.00 N ATOM 1314 CA LEU B 25 0.544 6.834 -8.059 1.00 0.00 C ATOM 1315 C LEU B 25 0.058 5.524 -8.655 1.00 0.00 C ATOM 1316 O LEU B 25 -1.110 5.166 -8.507 1.00 0.00 O ATOM 1317 CB LEU B 25 0.393 7.973 -9.081 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.104 9.224 -8.386 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.252 10.368 -9.397 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.448 8.904 -7.744 1.00 0.00 C ATOM 0 H LEU B 25 2.582 7.237 -8.219 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.064 7.069 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.350 8.170 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.305 7.680 -9.865 1.00 0.00 H new ATOM 0 HG LEU B 25 0.608 9.541 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.610 11.262 -8.886 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.715 10.575 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.966 10.081 -10.169 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.829 9.790 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.155 8.596 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.323 8.097 -7.022 1.00 0.00 H new ATOM 1332 N GLN B 26 0.969 4.803 -9.310 1.00 0.00 N ATOM 1333 CA GLN B 26 0.622 3.512 -9.904 1.00 0.00 C ATOM 1334 C GLN B 26 0.237 2.546 -8.798 1.00 0.00 C ATOM 1335 O GLN B 26 -0.736 1.802 -8.909 1.00 0.00 O ATOM 1336 CB GLN B 26 1.817 2.910 -10.651 1.00 0.00 C ATOM 1337 CG GLN B 26 1.629 3.018 -12.178 1.00 0.00 C ATOM 1338 CD GLN B 26 1.438 1.632 -12.768 1.00 0.00 C ATOM 1339 OE1 GLN B 26 2.125 0.641 -12.283 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 0.641 1.447 -13.686 1.00 0.00 N flip ATOM 0 H GLN B 26 1.940 5.086 -9.442 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.201 3.670 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.731 3.426 -10.357 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.936 1.864 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.765 3.643 -12.405 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.497 3.499 -12.628 1.00 0.00 H new ATOM 0 HE21 GLN B 26 0.105 2.229 -14.062 1.00 0.00 H new ATOM 0 HE22 GLN B 26 0.516 0.511 -14.072 1.00 0.00 H new ATOM 1349 N VAL B 27 1.016 2.581 -7.729 1.00 0.00 N ATOM 1350 CA VAL B 27 0.779 1.733 -6.581 1.00 0.00 C ATOM 1351 C VAL B 27 -0.530 2.122 -5.941 1.00 0.00 C ATOM 1352 O VAL B 27 -1.343 1.266 -5.627 1.00 0.00 O ATOM 1353 CB VAL B 27 1.964 1.833 -5.624 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.684 1.052 -4.329 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.185 1.241 -6.345 1.00 0.00 C ATOM 0 H VAL B 27 1.825 3.196 -7.636 1.00 0.00 H new ATOM 0 HA VAL B 27 0.696 0.687 -6.877 1.00 0.00 H new ATOM 0 HB VAL B 27 2.142 2.873 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.541 1.136 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.801 1.463 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.511 0.002 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.055 1.295 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.987 0.200 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.380 1.808 -7.255 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.754 3.423 -5.824 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.002 3.921 -5.299 1.00 0.00 C ATOM 1367 C VAL B 28 -3.134 3.438 -6.215 1.00 0.00 C ATOM 1368 O VAL B 28 -4.231 3.145 -5.755 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.979 5.455 -5.227 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.329 5.947 -4.703 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.852 5.922 -4.283 1.00 0.00 C ATOM 0 H VAL B 28 -0.084 4.146 -6.087 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.159 3.546 -4.288 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.796 5.865 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.323 7.036 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.121 5.622 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.506 5.535 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.843 7.011 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.023 5.519 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.108 5.566 -4.658 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.835 3.344 -7.519 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.802 2.879 -8.508 1.00 0.00 C ATOM 1383 C ALA B 29 -4.230 1.464 -8.165 1.00 0.00 C ATOM 1384 O ALA B 29 -5.417 1.129 -8.182 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.154 2.884 -9.905 1.00 0.00 C ATOM 0 H ALA B 29 -1.924 3.587 -7.909 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.669 3.540 -8.504 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.877 2.536 -10.643 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.838 3.897 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.288 2.222 -9.907 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.235 0.646 -7.837 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.463 -0.722 -7.476 1.00 0.00 C ATOM 1393 C PHE B 30 -4.117 -0.806 -6.096 1.00 0.00 C ATOM 1394 O PHE B 30 -5.082 -1.542 -5.920 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.121 -1.471 -7.521 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.588 -1.483 -8.952 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.387 -1.948 -10.019 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.300 -0.985 -9.229 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.897 -1.914 -11.323 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.170 -0.952 -10.533 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.625 -1.413 -11.581 1.00 0.00 C ATOM 0 H PHE B 30 -2.254 0.926 -7.818 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.149 -1.190 -8.181 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.402 -0.989 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.251 -2.492 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.378 -2.330 -9.825 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.324 -0.628 -8.423 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.507 -2.278 -12.137 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.158 -0.567 -10.738 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.253 -1.381 -12.594 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.624 -0.010 -5.134 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.202 0.005 -3.788 1.00 0.00 C ATOM 1413 C ILE B 31 -5.678 0.397 -3.882 1.00 0.00 C ATOM 1414 O ILE B 31 -6.547 -0.253 -3.302 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.427 0.992 -2.889 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.973 0.507 -2.706 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.088 1.072 -1.511 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.120 1.631 -2.097 1.00 0.00 C ATOM 0 H ILE B 31 -2.835 0.624 -5.264 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.126 -0.987 -3.342 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.436 1.973 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.951 -0.369 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.558 0.203 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.535 1.770 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.116 1.417 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.084 0.085 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.095 1.282 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.130 2.496 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.529 1.914 -1.127 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.942 1.444 -4.654 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.314 1.917 -4.875 1.00 0.00 C ATOM 1432 C ASN B 32 -8.188 0.812 -5.476 1.00 0.00 C ATOM 1433 O ASN B 32 -9.394 0.776 -5.233 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.333 3.113 -5.842 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.130 4.432 -5.103 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.219 5.266 -5.520 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.830 4.718 -4.132 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.228 1.986 -5.140 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.707 2.214 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.550 2.990 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.283 3.136 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.542 4.065 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.698 5.609 -3.653 1.00 0.00 H new ATOM 1444 N SER B 33 -7.580 -0.083 -6.269 1.00 0.00 N ATOM 1445 CA SER B 33 -8.319 -1.155 -6.893 1.00 0.00 C ATOM 1446 C SER B 33 -8.637 -2.234 -5.874 1.00 0.00 C ATOM 1447 O SER B 33 -9.668 -2.893 -5.971 1.00 0.00 O ATOM 1448 CB SER B 33 -7.558 -1.687 -8.089 1.00 0.00 C ATOM 1449 OG SER B 33 -7.893 -0.922 -9.239 1.00 0.00 O ATOM 0 H SER B 33 -6.583 -0.074 -6.484 1.00 0.00 H new ATOM 0 HA SER B 33 -9.271 -0.777 -7.264 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.485 -1.635 -7.904 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.803 -2.736 -8.253 1.00 0.00 H new ATOM 0 HG SER B 33 -7.400 -1.264 -10.014 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.774 -2.378 -4.862 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.043 -3.347 -3.801 1.00 0.00 C ATOM 1457 C LEU B 34 -9.310 -2.873 -3.115 1.00 0.00 C ATOM 1458 O LEU B 34 -10.229 -3.643 -2.844 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.897 -3.393 -2.782 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.543 -3.394 -3.502 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.417 -3.609 -2.517 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.513 -4.499 -4.523 1.00 0.00 C ATOM 0 H LEU B 34 -6.907 -1.851 -4.758 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.144 -4.350 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.961 -2.534 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.988 -4.285 -2.163 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.413 -2.428 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.465 -3.607 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.423 -2.808 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.551 -4.567 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.550 -4.497 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.658 -5.458 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.309 -4.343 -5.251 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.346 -1.556 -2.907 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.509 -0.884 -2.325 1.00 0.00 C ATOM 1476 C ARG B 35 -11.733 -1.175 -3.188 1.00 0.00 C ATOM 1477 O ARG B 35 -12.807 -1.513 -2.686 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.260 0.639 -2.321 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.194 1.197 -0.890 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.853 1.901 -0.664 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.566 1.989 0.764 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.336 2.706 1.575 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.420 2.183 2.071 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.007 3.929 1.876 1.00 0.00 N ATOM 0 H ARG B 35 -8.575 -0.928 -3.135 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.672 -1.241 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.327 0.857 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.056 1.140 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.014 1.896 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.316 0.388 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.057 1.354 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.880 2.900 -1.099 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.761 1.492 1.146 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.677 1.224 1.837 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.012 2.732 2.694 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.157 4.338 1.489 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.600 4.478 2.499 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.533 -1.038 -4.498 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.580 -1.277 -5.485 1.00 0.00 C ATOM 1500 C ASP B 36 -13.014 -2.743 -5.480 1.00 0.00 C ATOM 1501 O ASP B 36 -14.199 -3.049 -5.623 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.047 -0.893 -6.876 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.737 0.611 -6.962 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.293 1.375 -6.184 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.944 0.978 -7.814 1.00 0.00 O ATOM 0 H ASP B 36 -10.640 -0.758 -4.903 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.450 -0.669 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.145 -1.465 -7.092 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.783 -1.159 -7.635 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.039 -3.637 -5.317 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.302 -5.076 -5.298 1.00 0.00 C ATOM 1512 C ASP B 37 -11.182 -5.822 -4.582 1.00 0.00 C ATOM 1513 O ASP B 37 -10.168 -6.183 -5.188 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.454 -5.614 -6.732 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.932 -5.800 -7.071 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.496 -6.794 -6.641 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.476 -4.949 -7.754 1.00 0.00 O ATOM 0 H ASP B 37 -11.057 -3.389 -5.196 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.233 -5.241 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.996 -4.922 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.929 -6.564 -6.830 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.361 -6.074 -3.309 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.364 -6.814 -2.497 1.00 0.00 C ATOM 1524 C PRO B 38 -10.259 -8.275 -2.933 1.00 0.00 C ATOM 1525 O PRO B 38 -9.250 -8.937 -2.685 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.867 -6.709 -1.059 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.123 -5.897 -1.066 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.537 -5.678 -2.516 1.00 0.00 C ATOM 0 HA PRO B 38 -9.364 -6.397 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.057 -7.701 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.114 -6.240 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.912 -6.412 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.961 -4.941 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.408 -6.280 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.804 -4.637 -2.698 1.00 0.00 H new ATOM 1536 N SER B 39 -11.313 -8.758 -3.595 1.00 0.00 N ATOM 1537 CA SER B 39 -11.350 -10.128 -4.084 1.00 0.00 C ATOM 1538 C SER B 39 -10.294 -10.313 -5.161 1.00 0.00 C ATOM 1539 O SER B 39 -9.611 -11.339 -5.204 1.00 0.00 O ATOM 1540 CB SER B 39 -12.739 -10.442 -4.645 1.00 0.00 C ATOM 1541 OG SER B 39 -13.092 -9.460 -5.612 1.00 0.00 O ATOM 0 H SER B 39 -12.151 -8.215 -3.802 1.00 0.00 H new ATOM 0 HA SER B 39 -11.142 -10.812 -3.261 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.744 -11.433 -5.099 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.474 -10.456 -3.840 1.00 0.00 H new ATOM 0 HG SER B 39 -13.648 -8.772 -5.191 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.152 -9.293 -6.015 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.164 -9.327 -7.075 1.00 0.00 C ATOM 1549 C GLN B 40 -7.956 -8.496 -6.690 1.00 0.00 C ATOM 1550 O GLN B 40 -7.237 -8.014 -7.560 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.732 -8.833 -8.417 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.258 -9.007 -8.474 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.621 -10.491 -8.557 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.046 -11.229 -9.359 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.545 -10.974 -7.776 1.00 0.00 N ATOM 0 H GLN B 40 -10.712 -8.441 -5.985 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.868 -10.368 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.478 -7.782 -8.557 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.270 -9.385 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.715 -8.563 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.659 -8.479 -9.339 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.022 -10.364 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.792 -11.962 -7.829 1.00 0.00 H new ATOM 1564 N SER B 41 -7.718 -8.332 -5.385 1.00 0.00 N ATOM 1565 CA SER B 41 -6.571 -7.561 -4.946 1.00 0.00 C ATOM 1566 C SER B 41 -5.307 -8.136 -5.559 1.00 0.00 C ATOM 1567 O SER B 41 -4.355 -7.422 -5.860 1.00 0.00 O ATOM 1568 CB SER B 41 -6.471 -7.606 -3.415 1.00 0.00 C ATOM 1569 OG SER B 41 -5.275 -6.968 -2.982 1.00 0.00 O ATOM 0 H SER B 41 -8.294 -8.716 -4.636 1.00 0.00 H new ATOM 0 HA SER B 41 -6.689 -6.526 -5.266 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.336 -7.112 -2.972 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.484 -8.641 -3.073 1.00 0.00 H new ATOM 0 HG SER B 41 -4.667 -6.862 -3.743 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.351 -9.438 -5.748 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.265 -10.189 -6.345 1.00 0.00 C ATOM 1577 C ALA B 42 -4.180 -9.917 -7.848 1.00 0.00 C ATOM 1578 O ALA B 42 -3.120 -10.064 -8.449 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.530 -11.675 -6.122 1.00 0.00 C ATOM 0 H ALA B 42 -6.152 -10.013 -5.488 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.324 -9.888 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.723 -12.259 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.581 -11.879 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.475 -11.950 -6.590 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.327 -9.554 -8.437 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.437 -9.292 -9.868 1.00 0.00 C ATOM 1587 C ASN B 43 -4.734 -8.019 -10.282 1.00 0.00 C ATOM 1588 O ASN B 43 -3.903 -8.025 -11.184 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.894 -9.159 -10.218 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.089 -9.181 -11.732 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.306 -8.137 -12.347 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.025 -10.315 -12.373 1.00 0.00 N ATOM 0 H ASN B 43 -6.203 -9.435 -7.929 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.964 -10.122 -10.392 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.459 -9.972 -9.762 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.288 -8.229 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.155 -10.337 -13.384 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.845 -11.180 -11.863 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.070 -6.922 -9.616 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.448 -5.670 -9.924 1.00 0.00 C ATOM 1601 C LEU B 44 -3.040 -5.696 -9.350 1.00 0.00 C ATOM 1602 O LEU B 44 -2.124 -5.087 -9.886 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.328 -4.457 -9.542 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.508 -4.237 -8.051 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.423 -5.292 -7.464 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.184 -4.179 -7.322 1.00 0.00 C ATOM 0 H LEU B 44 -5.764 -6.887 -8.869 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.348 -5.532 -11.001 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.889 -3.558 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.311 -4.583 -9.996 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.980 -3.264 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.540 -5.118 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.398 -5.239 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.991 -6.279 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.361 -4.020 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.649 -5.118 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.587 -3.357 -7.717 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.857 -6.502 -8.298 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.533 -6.710 -7.748 1.00 0.00 C ATOM 1620 C LEU B 45 -0.758 -7.391 -8.853 1.00 0.00 C ATOM 1621 O LEU B 45 0.421 -7.135 -9.079 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.589 -7.627 -6.517 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.257 -8.384 -6.344 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.878 -7.389 -6.111 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.358 -9.358 -5.163 1.00 0.00 C ATOM 0 H LEU B 45 -3.603 -7.010 -7.823 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.079 -5.772 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.796 -7.035 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.407 -8.339 -6.624 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.048 -8.952 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.817 -7.930 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.954 -6.717 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.674 -6.809 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.587 -9.889 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.576 -8.803 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.157 -10.076 -5.350 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.489 -8.244 -9.562 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.934 -8.960 -10.690 1.00 0.00 C ATOM 1639 C ALA B 46 -0.553 -7.925 -11.734 1.00 0.00 C ATOM 1640 O ALA B 46 0.540 -7.956 -12.292 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.968 -9.942 -11.264 1.00 0.00 C ATOM 0 H ALA B 46 -2.469 -8.452 -9.370 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.063 -9.541 -10.386 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.534 -10.472 -12.112 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.254 -10.659 -10.495 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.849 -9.391 -11.593 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.466 -6.971 -11.931 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.248 -5.873 -12.852 1.00 0.00 C ATOM 1649 C GLU B 47 -0.031 -5.075 -12.408 1.00 0.00 C ATOM 1650 O GLU B 47 0.691 -4.524 -13.230 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.456 -4.919 -12.868 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.706 -5.589 -13.431 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.458 -6.147 -14.835 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.978 -5.406 -15.679 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.752 -7.312 -15.044 1.00 0.00 O ATOM 0 H GLU B 47 -2.368 -6.945 -11.456 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.101 -6.293 -13.847 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.656 -4.571 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.216 -4.040 -13.466 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.018 -6.395 -12.768 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.523 -4.868 -13.464 1.00 0.00 H new ATOM 1662 N ALA B 48 0.162 -5.004 -11.089 1.00 0.00 N ATOM 1663 CA ALA B 48 1.258 -4.256 -10.510 1.00 0.00 C ATOM 1664 C ALA B 48 2.572 -4.956 -10.723 1.00 0.00 C ATOM 1665 O ALA B 48 3.530 -4.368 -11.187 1.00 0.00 O ATOM 1666 CB ALA B 48 1.017 -4.178 -9.020 1.00 0.00 C ATOM 0 H ALA B 48 -0.438 -5.463 -10.404 1.00 0.00 H new ATOM 0 HA ALA B 48 1.303 -3.273 -10.979 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.826 -3.619 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.070 -3.673 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.981 -5.185 -8.604 1.00 0.00 H new ATOM 1672 N LYS B 49 2.591 -6.229 -10.398 1.00 0.00 N ATOM 1673 CA LYS B 49 3.785 -7.028 -10.574 1.00 0.00 C ATOM 1674 C LYS B 49 4.152 -7.020 -12.056 1.00 0.00 C ATOM 1675 O LYS B 49 5.326 -6.953 -12.422 1.00 0.00 O ATOM 1676 CB LYS B 49 3.520 -8.432 -10.035 1.00 0.00 C ATOM 1677 CG LYS B 49 3.560 -8.414 -8.502 1.00 0.00 C ATOM 1678 CD LYS B 49 3.519 -9.853 -7.964 1.00 0.00 C ATOM 1679 CE LYS B 49 2.142 -10.482 -8.228 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.611 -11.060 -6.961 1.00 0.00 N ATOM 0 H LYS B 49 1.794 -6.734 -10.010 1.00 0.00 H new ATOM 0 HA LYS B 49 4.632 -6.623 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.548 -8.786 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.267 -9.126 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.465 -7.913 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.714 -7.846 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.296 -10.449 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.728 -9.855 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.454 -9.730 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.224 -11.258 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.573 -10.989 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.890 -12.060 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.999 -10.536 -6.151 1.00 0.00 H new ATOM 1694 N LYS B 50 3.112 -7.009 -12.888 1.00 0.00 N ATOM 1695 CA LYS B 50 3.271 -6.920 -14.337 1.00 0.00 C ATOM 1696 C LYS B 50 3.734 -5.527 -14.736 1.00 0.00 C ATOM 1697 O LYS B 50 4.555 -5.374 -15.632 1.00 0.00 O ATOM 1698 CB LYS B 50 1.951 -7.219 -15.040 1.00 0.00 C ATOM 1699 CG LYS B 50 1.685 -8.734 -15.039 1.00 0.00 C ATOM 1700 CD LYS B 50 0.524 -9.066 -15.990 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.792 -8.498 -15.444 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.937 -9.136 -16.151 1.00 0.00 N ATOM 0 H LYS B 50 2.141 -7.061 -12.579 1.00 0.00 H new ATOM 0 HA LYS B 50 4.018 -7.655 -14.637 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.136 -6.698 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.983 -6.848 -16.064 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.583 -9.269 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.446 -9.069 -14.030 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.725 -8.651 -16.978 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.440 -10.146 -16.109 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.864 -8.683 -14.372 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.820 -7.417 -15.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.819 -8.648 -15.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.791 -9.070 -17.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.002 -10.136 -15.874 1.00 0.00 H new ATOM 1716 N LEU B 51 3.189 -4.511 -14.070 1.00 0.00 N ATOM 1717 CA LEU B 51 3.557 -3.129 -14.369 1.00 0.00 C ATOM 1718 C LEU B 51 4.979 -2.891 -13.965 1.00 0.00 C ATOM 1719 O LEU B 51 5.748 -2.258 -14.680 1.00 0.00 O ATOM 1720 CB LEU B 51 2.646 -2.154 -13.624 1.00 0.00 C ATOM 1721 CG LEU B 51 1.697 -1.470 -14.607 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.496 -0.490 -15.479 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.983 -2.525 -15.476 1.00 0.00 C ATOM 0 H LEU B 51 2.498 -4.617 -13.327 1.00 0.00 H new ATOM 0 HA LEU B 51 3.444 -2.963 -15.440 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.074 -2.686 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.246 -1.406 -13.105 1.00 0.00 H new ATOM 0 HG LEU B 51 0.935 -0.915 -14.059 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.824 0.002 -16.183 1.00 0.00 H new ATOM 0 HD12 LEU B 51 2.969 0.260 -14.844 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.263 -1.035 -16.029 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.309 -2.027 -16.173 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.723 -3.098 -16.034 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.411 -3.197 -14.836 1.00 0.00 H new ATOM 1735 N ASN B 52 5.323 -3.451 -12.825 1.00 0.00 N ATOM 1736 CA ASN B 52 6.677 -3.358 -12.328 1.00 0.00 C ATOM 1737 C ASN B 52 7.562 -4.025 -13.347 1.00 0.00 C ATOM 1738 O ASN B 52 8.646 -3.542 -13.673 1.00 0.00 O ATOM 1739 CB ASN B 52 6.795 -4.054 -10.977 1.00 0.00 C ATOM 1740 CG ASN B 52 8.257 -4.146 -10.551 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.740 -3.331 -9.768 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.992 -5.097 -11.038 1.00 0.00 N ATOM 0 H ASN B 52 4.684 -3.974 -12.226 1.00 0.00 H new ATOM 0 HA ASN B 52 6.970 -2.318 -12.183 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.225 -3.505 -10.227 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.364 -5.053 -11.037 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.974 -5.170 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.588 -5.772 -11.688 1.00 0.00 H new ATOM 1749 N ASP B 53 7.042 -5.125 -13.882 1.00 0.00 N ATOM 1750 CA ASP B 53 7.747 -5.855 -14.921 1.00 0.00 C ATOM 1751 C ASP B 53 7.807 -4.991 -16.178 1.00 0.00 C ATOM 1752 O ASP B 53 8.791 -5.010 -16.912 1.00 0.00 O ATOM 1753 CB ASP B 53 7.043 -7.180 -15.234 1.00 0.00 C ATOM 1754 CG ASP B 53 7.900 -8.009 -16.191 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.740 -8.752 -15.713 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.711 -7.877 -17.391 1.00 0.00 O ATOM 0 H ASP B 53 6.143 -5.525 -13.614 1.00 0.00 H new ATOM 0 HA ASP B 53 8.755 -6.082 -14.573 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.869 -7.736 -14.313 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.067 -6.987 -15.679 1.00 0.00 H new ATOM 1761 N ALA B 54 6.727 -4.238 -16.402 1.00 0.00 N ATOM 1762 CA ALA B 54 6.609 -3.352 -17.556 1.00 0.00 C ATOM 1763 C ALA B 54 7.574 -2.172 -17.445 1.00 0.00 C ATOM 1764 O ALA B 54 8.157 -1.741 -18.442 1.00 0.00 O ATOM 1765 CB ALA B 54 5.170 -2.836 -17.646 1.00 0.00 C ATOM 0 H ALA B 54 5.913 -4.227 -15.788 1.00 0.00 H new ATOM 0 HA ALA B 54 6.863 -3.913 -18.455 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.074 -2.173 -18.506 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.488 -3.679 -17.759 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.922 -2.288 -16.737 1.00 0.00 H new ATOM 1771 N GLN B 55 7.730 -1.658 -16.225 1.00 0.00 N ATOM 1772 CA GLN B 55 8.612 -0.526 -15.965 1.00 0.00 C ATOM 1773 C GLN B 55 10.025 -0.997 -15.622 1.00 0.00 C ATOM 1774 O GLN B 55 10.930 -0.183 -15.431 1.00 0.00 O ATOM 1775 CB GLN B 55 8.039 0.287 -14.815 1.00 0.00 C ATOM 1776 CG GLN B 55 6.717 0.934 -15.245 1.00 0.00 C ATOM 1777 CD GLN B 55 5.807 1.117 -14.036 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.529 0.086 -13.295 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 5.341 2.222 -13.760 1.00 0.00 N flip ATOM 0 H GLN B 55 7.252 -2.013 -15.397 1.00 0.00 H new ATOM 0 HA GLN B 55 8.676 0.089 -16.863 1.00 0.00 H new ATOM 0 HB2 GLN B 55 7.876 -0.355 -13.949 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.749 1.056 -14.512 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.911 1.899 -15.714 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.223 0.311 -15.991 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.561 3.029 -14.344 1.00 0.00 H new ATOM 0 HE22 GLN B 55 4.734 2.331 -12.947 1.00 0.00 H new ATOM 1788 N ALA B 56 10.198 -2.317 -15.548 1.00 0.00 N ATOM 1789 CA ALA B 56 11.502 -2.905 -15.228 1.00 0.00 C ATOM 1790 C ALA B 56 12.537 -2.572 -16.293 1.00 0.00 C ATOM 1791 O ALA B 56 12.193 -2.128 -17.392 1.00 0.00 O ATOM 1792 CB ALA B 56 11.387 -4.424 -15.105 1.00 0.00 C ATOM 0 H ALA B 56 9.455 -2.998 -15.704 1.00 0.00 H new ATOM 0 HA ALA B 56 11.825 -2.481 -14.277 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.364 -4.845 -14.867 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.682 -4.672 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.033 -4.840 -16.048 1.00 0.00 H new ATOM 1798 N PRO B 57 13.798 -2.773 -15.980 1.00 0.00 N ATOM 1799 CA PRO B 57 14.920 -2.487 -16.908 1.00 0.00 C ATOM 1800 C PRO B 57 15.098 -3.604 -17.937 1.00 0.00 C ATOM 1801 O PRO B 57 16.210 -4.060 -18.214 1.00 0.00 O ATOM 1802 CB PRO B 57 16.138 -2.355 -15.976 1.00 0.00 C ATOM 1803 CG PRO B 57 15.642 -2.589 -14.586 1.00 0.00 C ATOM 1804 CD PRO B 57 14.309 -3.296 -14.710 1.00 0.00 C ATOM 0 HA PRO B 57 14.758 -1.590 -17.506 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.908 -3.081 -16.240 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.588 -1.366 -16.065 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.350 -3.195 -14.020 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.531 -1.646 -14.051 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.424 -4.380 -14.733 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.645 -3.063 -13.877 1.00 0.00 H new ATOM 1812 N LYS B 58 13.967 -4.027 -18.486 1.00 0.00 N ATOM 1813 CA LYS B 58 13.917 -5.093 -19.491 1.00 0.00 C ATOM 1814 C LYS B 58 14.972 -4.881 -20.585 1.00 0.00 C ATOM 1815 O LYS B 58 15.672 -5.830 -20.898 1.00 0.00 O ATOM 1816 CB LYS B 58 12.530 -5.133 -20.128 1.00 0.00 C ATOM 1817 CG LYS B 58 11.432 -5.136 -19.044 1.00 0.00 C ATOM 1818 CD LYS B 58 10.412 -4.016 -19.324 1.00 0.00 C ATOM 1819 CE LYS B 58 9.303 -4.531 -20.251 1.00 0.00 C ATOM 1820 NZ LYS B 58 8.513 -5.586 -19.553 1.00 0.00 N ATOM 1821 OXT LYS B 58 15.064 -3.772 -21.090 1.00 0.00 O ATOM 0 H LYS B 58 13.052 -3.642 -18.249 1.00 0.00 H new ATOM 0 HA LYS B 58 14.127 -6.038 -18.990 1.00 0.00 H new ATOM 0 HB2 LYS B 58 12.400 -4.271 -20.782 1.00 0.00 H new ATOM 0 HB3 LYS B 58 12.436 -6.023 -20.751 1.00 0.00 H new ATOM 0 HG2 LYS B 58 10.928 -6.102 -19.028 1.00 0.00 H new ATOM 0 HG3 LYS B 58 11.880 -4.994 -18.061 1.00 0.00 H new ATOM 0 HD2 LYS B 58 9.979 -3.665 -18.387 1.00 0.00 H new ATOM 0 HD3 LYS B 58 10.913 -3.164 -19.783 1.00 0.00 H new ATOM 0 HE2 LYS B 58 8.650 -3.709 -20.544 1.00 0.00 H new ATOM 0 HE3 LYS B 58 9.738 -4.934 -21.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 7.516 -5.521 -19.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 8.886 -6.523 -19.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 8.585 -5.450 -18.524 1.00 0.00 H new TER 1835 LYS B 58