USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=31 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= -0.565 F(o=-7.3,f=-5.7) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.12! C(o=-5.7!,f=-12!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.79! C(o=-15!,f=-3!) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.21 F(o=-4.5!,f=-3) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 138:sc= -0.636 (180deg=-2.44!) USER MOD Set 3.2: B 23 ASN : amide:sc= -7.69! C(o=-8.9!,f=-18!) USER MOD Set 3.3: B 24 SER OG : rot -149:sc= -0.583 USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.47 F(o=-16!,f=-11) USER MOD Set 4.2: A 52 ASN : amide:sc= -9.7! C(o=-11!,f=-20!) USER MOD Set 5.1: A 39 SER OG : rot -71:sc= 1.13 USER MOD Set 5.2: A 40 GLN : amide:sc= -0.331 X(o=0.8,f=0.81) USER MOD Set 6.1: A 26 GLN :FLIP amide:sc= -0.498 F(o=-8.7!,f=-2.9) USER MOD Set 6.2: A 55 GLN :FLIP amide:sc= -2.39! C(o=-7.1!,f=-2.9!) USER MOD Set 7.1: A 13 THR OG1 : rot 118:sc= -2.38 USER MOD Set 7.2: B 17 MET CE :methyl -127:sc= -11.5! (180deg=-11.3!) USER MOD Single : A 1 VAL N :NH3+ 139:sc=0.000257 (180deg=-0.379) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.107 F(o=-1.9!,f=0.11) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 0.553 (180deg=0.452) USER MOD Single : A 6 ASN : amide:sc= -3.75 K(o=-3.7,f=-8.7!) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0568) USER MOD Single : A 18 ASN : amide:sc= -4.01! X(o=-4!,f=-3.7) USER MOD Single : A 23 ASN : amide:sc= -0.882 K(o=-0.88,f=-11!) USER MOD Single : A 33 SER OG : rot 73:sc= 1.11 USER MOD Single : A 41 SER OG : rot 109:sc= -0.661 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -106:sc= -3.41! (180deg=-6.1!) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 0.598 (180deg=0.315) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 1.68 (180deg=1.66) USER MOD Single : B 1 VAL N :NH3+ 133:sc= 0.0449 (180deg=-0.289) USER MOD Single : B 3 ASN :FLIP amide:sc= -1.61 F(o=-3.9,f=-1.6) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.433 F(o=-1!,f=-0.43) USER MOD Single : B 7 LYS NZ :NH3+ -109:sc= 1.24 (180deg=-0.489) USER MOD Single : B 32 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.5!) USER MOD Single : B 33 SER OG : rot 82:sc= 0.183 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.0061) USER MOD Single : B 41 SER OG : rot 110:sc= 0.135 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.022 F(o=-0.59,f=-0.022) USER MOD Single : B 49 LYS NZ :NH3+ -131:sc= -1.03 (180deg=-3.85!) USER MOD Single : B 50 LYS NZ :NH3+ 170:sc= 0.92 (180deg=0.737) USER MOD Single : B 58 LYS NZ :NH3+ -164:sc= 0.757 (180deg=-0.109!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.354 -14.377 5.007 1.00 0.00 N ATOM 2 CA VAL A 1 12.674 -13.409 5.916 1.00 0.00 C ATOM 3 C VAL A 1 11.158 -13.596 5.811 1.00 0.00 C ATOM 4 O VAL A 1 10.635 -13.900 4.736 1.00 0.00 O ATOM 5 CB VAL A 1 13.081 -11.971 5.531 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.647 -11.657 4.091 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.429 -10.965 6.493 1.00 0.00 C ATOM 0 H1 VAL A 1 14.150 -13.906 4.531 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.709 -15.183 5.561 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.678 -14.718 4.294 1.00 0.00 H new ATOM 0 HA VAL A 1 12.975 -13.588 6.948 1.00 0.00 H new ATOM 0 HB VAL A 1 14.166 -11.889 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.942 -10.639 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.126 -12.356 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.564 -11.753 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.722 -9.953 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.344 -11.058 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.758 -11.170 7.512 1.00 0.00 H new ATOM 19 N ASP A 2 10.464 -13.410 6.935 1.00 0.00 N ATOM 20 CA ASP A 2 9.009 -13.555 6.971 1.00 0.00 C ATOM 21 C ASP A 2 8.335 -12.409 6.217 1.00 0.00 C ATOM 22 O ASP A 2 8.927 -11.348 6.023 1.00 0.00 O ATOM 23 CB ASP A 2 8.515 -13.582 8.423 1.00 0.00 C ATOM 24 CG ASP A 2 7.033 -13.968 8.466 1.00 0.00 C ATOM 25 OD1 ASP A 2 6.746 -15.150 8.375 1.00 0.00 O ATOM 26 OD2 ASP A 2 6.208 -13.076 8.577 1.00 0.00 O ATOM 0 H ASP A 2 10.885 -13.159 7.830 1.00 0.00 H new ATOM 0 HA ASP A 2 8.747 -14.495 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.102 -14.295 9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.658 -12.604 8.883 1.00 0.00 H new ATOM 31 N ASN A 3 7.093 -12.639 5.799 1.00 0.00 N ATOM 32 CA ASN A 3 6.327 -11.634 5.064 1.00 0.00 C ATOM 33 C ASN A 3 5.731 -10.583 6.009 1.00 0.00 C ATOM 34 O ASN A 3 4.901 -9.777 5.594 1.00 0.00 O ATOM 35 CB ASN A 3 5.200 -12.325 4.283 1.00 0.00 C ATOM 36 CG ASN A 3 4.135 -12.856 5.244 1.00 0.00 C ATOM 37 OD1 ASN A 3 4.416 -13.865 6.023 1.00 0.00 O flip ATOM 38 ND2 ASN A 3 3.022 -12.331 5.292 1.00 0.00 N flip ATOM 0 H ASN A 3 6.594 -13.514 5.957 1.00 0.00 H new ATOM 0 HA ASN A 3 7.002 -11.124 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.749 -11.621 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.608 -13.145 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.803 -11.543 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.319 -12.685 5.941 1.00 0.00 H new ATOM 45 N LYS A 4 6.148 -10.606 7.279 1.00 0.00 N ATOM 46 CA LYS A 4 5.635 -9.660 8.272 1.00 0.00 C ATOM 47 C LYS A 4 5.855 -8.215 7.822 1.00 0.00 C ATOM 48 O LYS A 4 4.932 -7.400 7.872 1.00 0.00 O ATOM 49 CB LYS A 4 6.334 -9.896 9.621 1.00 0.00 C ATOM 50 CG LYS A 4 5.886 -8.841 10.653 1.00 0.00 C ATOM 51 CD LYS A 4 6.987 -7.776 10.840 1.00 0.00 C ATOM 52 CE LYS A 4 6.373 -6.369 10.818 1.00 0.00 C ATOM 53 NZ LYS A 4 5.412 -6.222 11.947 1.00 0.00 N ATOM 0 H LYS A 4 6.836 -11.266 7.641 1.00 0.00 H new ATOM 0 HA LYS A 4 4.563 -9.824 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.100 -10.895 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.415 -9.849 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.963 -8.366 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.671 -9.323 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.505 -7.940 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.731 -7.869 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.159 -5.618 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.863 -6.199 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.114 -5.228 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.580 -6.821 11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.871 -6.514 12.834 1.00 0.00 H new ATOM 67 N PHE A 5 7.076 -7.906 7.380 1.00 0.00 N ATOM 68 CA PHE A 5 7.396 -6.560 6.925 1.00 0.00 C ATOM 69 C PHE A 5 6.617 -6.232 5.655 1.00 0.00 C ATOM 70 O PHE A 5 6.143 -5.115 5.497 1.00 0.00 O ATOM 71 CB PHE A 5 8.912 -6.402 6.698 1.00 0.00 C ATOM 72 CG PHE A 5 9.329 -7.024 5.380 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.515 -8.406 5.288 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.532 -6.213 4.253 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.902 -8.982 4.074 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.918 -6.790 3.039 1.00 0.00 C ATOM 77 CZ PHE A 5 10.103 -8.174 2.949 1.00 0.00 C ATOM 0 H PHE A 5 7.851 -8.567 7.329 1.00 0.00 H new ATOM 0 HA PHE A 5 7.101 -5.854 7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.177 -5.345 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.457 -6.873 7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.360 -9.030 6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.390 -5.145 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.046 -10.050 4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.073 -6.167 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.401 -8.619 2.011 1.00 0.00 H new ATOM 87 N ASN A 6 6.482 -7.219 4.759 1.00 0.00 N ATOM 88 CA ASN A 6 5.746 -7.024 3.518 1.00 0.00 C ATOM 89 C ASN A 6 4.274 -6.789 3.808 1.00 0.00 C ATOM 90 O ASN A 6 3.654 -5.890 3.245 1.00 0.00 O ATOM 91 CB ASN A 6 5.871 -8.266 2.647 1.00 0.00 C ATOM 92 CG ASN A 6 5.302 -8.005 1.263 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.402 -6.899 0.748 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.693 -8.967 0.637 1.00 0.00 N ATOM 0 H ASN A 6 6.873 -8.154 4.876 1.00 0.00 H new ATOM 0 HA ASN A 6 6.162 -6.157 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.918 -8.557 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.343 -9.098 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.296 -8.802 -0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.612 -9.887 1.070 1.00 0.00 H new ATOM 101 N LYS A 7 3.731 -7.609 4.704 1.00 0.00 N ATOM 102 CA LYS A 7 2.341 -7.495 5.085 1.00 0.00 C ATOM 103 C LYS A 7 2.142 -6.150 5.748 1.00 0.00 C ATOM 104 O LYS A 7 1.168 -5.467 5.491 1.00 0.00 O ATOM 105 CB LYS A 7 1.957 -8.638 6.036 1.00 0.00 C ATOM 106 CG LYS A 7 0.430 -8.750 6.142 1.00 0.00 C ATOM 107 CD LYS A 7 0.046 -10.062 6.842 1.00 0.00 C ATOM 108 CE LYS A 7 -0.314 -11.120 5.795 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.636 -12.404 6.476 1.00 0.00 N ATOM 0 H LYS A 7 4.239 -8.357 5.175 1.00 0.00 H new ATOM 0 HA LYS A 7 1.700 -7.568 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.373 -9.578 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.385 -8.459 7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.033 -7.901 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.015 -8.715 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.874 -10.413 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.799 -9.895 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.167 -10.786 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.517 -11.261 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.962 -13.098 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.214 -12.767 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.386 -12.246 7.179 1.00 0.00 H new ATOM 123 N GLU A 8 3.110 -5.764 6.577 1.00 0.00 N ATOM 124 CA GLU A 8 3.049 -4.476 7.249 1.00 0.00 C ATOM 125 C GLU A 8 3.254 -3.349 6.244 1.00 0.00 C ATOM 126 O GLU A 8 2.582 -2.328 6.299 1.00 0.00 O ATOM 127 CB GLU A 8 4.095 -4.408 8.364 1.00 0.00 C ATOM 128 CG GLU A 8 4.041 -3.042 9.067 1.00 0.00 C ATOM 129 CD GLU A 8 5.227 -2.890 10.019 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.182 -3.470 11.092 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.166 -2.195 9.660 1.00 0.00 O ATOM 0 H GLU A 8 3.936 -6.321 6.795 1.00 0.00 H new ATOM 0 HA GLU A 8 2.063 -4.359 7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.917 -5.204 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.090 -4.571 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.056 -2.243 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.107 -2.946 9.620 1.00 0.00 H new ATOM 138 N LEU A 9 4.158 -3.576 5.303 1.00 0.00 N ATOM 139 CA LEU A 9 4.425 -2.609 4.240 1.00 0.00 C ATOM 140 C LEU A 9 3.136 -2.398 3.476 1.00 0.00 C ATOM 141 O LEU A 9 2.771 -1.274 3.145 1.00 0.00 O ATOM 142 CB LEU A 9 5.543 -3.147 3.329 1.00 0.00 C ATOM 143 CG LEU A 9 5.712 -2.267 2.076 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.547 -1.017 2.354 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.413 -3.068 1.003 1.00 0.00 C ATOM 0 H LEU A 9 4.723 -4.424 5.251 1.00 0.00 H new ATOM 0 HA LEU A 9 4.762 -1.655 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.482 -3.181 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.312 -4.169 3.030 1.00 0.00 H new ATOM 0 HG LEU A 9 4.717 -1.954 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.638 -0.429 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.060 -0.418 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.539 -1.311 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.537 -2.453 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.392 -3.383 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.817 -3.947 0.757 1.00 0.00 H new ATOM 157 N GLY A 10 2.422 -3.485 3.253 1.00 0.00 N ATOM 158 CA GLY A 10 1.158 -3.414 2.592 1.00 0.00 C ATOM 159 C GLY A 10 0.108 -2.861 3.536 1.00 0.00 C ATOM 160 O GLY A 10 -0.757 -2.088 3.145 1.00 0.00 O ATOM 0 H GLY A 10 2.708 -4.425 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.235 -2.779 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.863 -4.405 2.247 1.00 0.00 H new ATOM 164 N TRP A 11 0.154 -3.293 4.789 1.00 0.00 N ATOM 165 CA TRP A 11 -0.844 -2.843 5.728 1.00 0.00 C ATOM 166 C TRP A 11 -0.724 -1.393 6.087 1.00 0.00 C ATOM 167 O TRP A 11 -1.705 -0.658 6.009 1.00 0.00 O ATOM 168 CB TRP A 11 -0.918 -3.693 6.980 1.00 0.00 C ATOM 169 CG TRP A 11 -2.370 -3.787 7.376 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.808 -3.817 8.643 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.585 -3.821 6.523 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.190 -3.909 8.640 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.711 -3.901 7.363 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.822 -3.801 5.120 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.010 -3.954 6.850 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.111 -3.848 4.603 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.211 -3.922 5.464 1.00 0.00 C ATOM 0 H TRP A 11 0.852 -3.935 5.164 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.783 -2.966 5.189 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.506 -4.685 6.795 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.330 -3.247 7.782 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.184 -3.776 9.524 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.757 -3.975 9.485 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.982 -3.748 4.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.855 -4.019 7.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.264 -3.827 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.213 -3.954 5.061 1.00 0.00 H new ATOM 188 N ALA A 12 0.457 -0.977 6.484 1.00 0.00 N ATOM 189 CA ALA A 12 0.644 0.399 6.849 1.00 0.00 C ATOM 190 C ALA A 12 0.246 1.276 5.667 1.00 0.00 C ATOM 191 O ALA A 12 -0.388 2.308 5.840 1.00 0.00 O ATOM 192 CB ALA A 12 2.091 0.640 7.255 1.00 0.00 C ATOM 0 H ALA A 12 1.287 -1.565 6.560 1.00 0.00 H new ATOM 0 HA ALA A 12 0.017 0.651 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.222 1.687 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.340 0.007 8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.748 0.399 6.419 1.00 0.00 H new ATOM 198 N THR A 13 0.563 0.804 4.456 1.00 0.00 N ATOM 199 CA THR A 13 0.181 1.506 3.236 1.00 0.00 C ATOM 200 C THR A 13 -1.324 1.712 3.231 1.00 0.00 C ATOM 201 O THR A 13 -1.802 2.810 2.975 1.00 0.00 O ATOM 202 CB THR A 13 0.599 0.646 2.041 1.00 0.00 C ATOM 203 OG1 THR A 13 1.972 0.843 1.803 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.203 1.007 0.791 1.00 0.00 C ATOM 0 H THR A 13 1.082 -0.060 4.300 1.00 0.00 H new ATOM 0 HA THR A 13 0.669 2.479 3.180 1.00 0.00 H new ATOM 0 HB THR A 13 0.401 -0.401 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.448 -0.006 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.117 0.379 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.264 0.845 0.980 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.034 2.054 0.540 1.00 0.00 H new ATOM 212 N TRP A 14 -2.044 0.640 3.541 1.00 0.00 N ATOM 213 CA TRP A 14 -3.501 0.663 3.593 1.00 0.00 C ATOM 214 C TRP A 14 -4.011 1.559 4.708 1.00 0.00 C ATOM 215 O TRP A 14 -4.922 2.351 4.513 1.00 0.00 O ATOM 216 CB TRP A 14 -3.982 -0.750 3.872 1.00 0.00 C ATOM 217 CG TRP A 14 -5.436 -0.884 3.578 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.414 -0.926 4.511 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.092 -1.019 2.289 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.625 -1.107 3.878 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.479 -1.171 2.511 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.628 -1.036 0.959 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.362 -1.340 1.458 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.516 -1.205 -0.090 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.871 -1.361 0.157 1.00 0.00 C ATOM 0 H TRP A 14 -1.635 -0.268 3.763 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.874 1.046 2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.417 -1.457 3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.793 -1.004 4.915 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.270 -0.833 5.577 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.519 -1.184 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.574 -0.917 0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.420 -1.454 1.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.151 -1.215 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.552 -1.500 -0.669 1.00 0.00 H new ATOM 236 N GLU A 15 -3.421 1.407 5.885 1.00 0.00 N ATOM 237 CA GLU A 15 -3.827 2.180 7.047 1.00 0.00 C ATOM 238 C GLU A 15 -3.629 3.673 6.778 1.00 0.00 C ATOM 239 O GLU A 15 -4.475 4.494 7.137 1.00 0.00 O ATOM 240 CB GLU A 15 -3.022 1.696 8.256 1.00 0.00 C ATOM 241 CG GLU A 15 -3.397 0.228 8.550 1.00 0.00 C ATOM 242 CD GLU A 15 -2.425 -0.376 9.561 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.674 -0.243 10.747 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.445 -0.965 9.132 1.00 0.00 O ATOM 0 H GLU A 15 -2.658 0.753 6.059 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.887 2.035 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.954 1.779 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.233 2.320 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.414 0.176 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.378 -0.351 7.627 1.00 0.00 H new ATOM 251 N ILE A 16 -2.540 3.999 6.079 1.00 0.00 N ATOM 252 CA ILE A 16 -2.261 5.381 5.682 1.00 0.00 C ATOM 253 C ILE A 16 -3.265 5.781 4.592 1.00 0.00 C ATOM 254 O ILE A 16 -3.753 6.910 4.551 1.00 0.00 O ATOM 255 CB ILE A 16 -0.820 5.477 5.129 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.200 5.137 6.227 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.538 6.890 4.614 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.596 4.921 5.615 1.00 0.00 C ATOM 0 H ILE A 16 -1.837 3.325 5.776 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.355 6.049 6.539 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.727 4.764 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.238 5.944 6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.114 4.239 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.480 6.940 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.240 7.134 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.653 7.604 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.307 4.681 6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.557 4.099 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.914 5.830 5.105 1.00 0.00 H new ATOM 270 N PHE A 17 -3.563 4.811 3.722 1.00 0.00 N ATOM 271 CA PHE A 17 -4.512 4.986 2.618 1.00 0.00 C ATOM 272 C PHE A 17 -5.911 5.255 3.174 1.00 0.00 C ATOM 273 O PHE A 17 -6.691 6.015 2.598 1.00 0.00 O ATOM 274 CB PHE A 17 -4.544 3.685 1.797 1.00 0.00 C ATOM 275 CG PHE A 17 -4.825 3.937 0.335 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.770 4.234 -0.543 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.129 3.810 -0.156 1.00 0.00 C ATOM 278 CE1 PHE A 17 -4.022 4.400 -1.905 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.383 3.988 -1.518 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.328 4.279 -2.393 1.00 0.00 C ATOM 0 H PHE A 17 -3.151 3.879 3.764 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.205 5.827 1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.588 3.171 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.307 3.021 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.764 4.334 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.939 3.574 0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.210 4.622 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.391 3.901 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.523 4.410 -3.447 1.00 0.00 H new ATOM 290 N ASN A 18 -6.211 4.589 4.291 1.00 0.00 N ATOM 291 CA ASN A 18 -7.509 4.699 4.949 1.00 0.00 C ATOM 292 C ASN A 18 -7.567 5.864 5.942 1.00 0.00 C ATOM 293 O ASN A 18 -8.593 6.049 6.603 1.00 0.00 O ATOM 294 CB ASN A 18 -7.818 3.388 5.694 1.00 0.00 C ATOM 295 CG ASN A 18 -8.153 2.264 4.713 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.205 1.636 4.825 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.319 1.963 3.757 1.00 0.00 N ATOM 0 H ASN A 18 -5.561 3.960 4.762 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.250 4.889 4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.960 3.101 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.655 3.542 6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.540 1.210 3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.446 2.481 3.660 1.00 0.00 H new ATOM 304 N LEU A 19 -6.492 6.660 6.056 1.00 0.00 N ATOM 305 CA LEU A 19 -6.521 7.782 6.990 1.00 0.00 C ATOM 306 C LEU A 19 -7.453 8.864 6.442 1.00 0.00 C ATOM 307 O LEU A 19 -7.392 9.187 5.254 1.00 0.00 O ATOM 308 CB LEU A 19 -5.121 8.352 7.241 1.00 0.00 C ATOM 309 CG LEU A 19 -4.527 7.751 8.530 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.156 8.340 8.757 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.381 8.095 9.752 1.00 0.00 C ATOM 0 H LEU A 19 -5.624 6.550 5.531 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.894 7.424 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.472 8.129 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.172 9.437 7.327 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.489 6.668 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.726 7.921 9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.513 8.102 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.237 9.422 8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.934 7.656 10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.432 9.178 9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.387 7.697 9.617 1.00 0.00 H new ATOM 323 N PRO A 20 -8.345 9.394 7.254 1.00 0.00 N ATOM 324 CA PRO A 20 -9.343 10.409 6.813 1.00 0.00 C ATOM 325 C PRO A 20 -8.834 11.855 6.747 1.00 0.00 C ATOM 326 O PRO A 20 -9.665 12.769 6.711 1.00 0.00 O ATOM 327 CB PRO A 20 -10.461 10.291 7.875 1.00 0.00 C ATOM 328 CG PRO A 20 -10.035 9.226 8.833 1.00 0.00 C ATOM 329 CD PRO A 20 -8.532 9.108 8.684 1.00 0.00 C ATOM 0 HA PRO A 20 -9.647 10.207 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.606 11.240 8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.412 10.034 7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.306 9.489 9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.525 8.279 8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.002 9.821 9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.172 8.115 8.952 1.00 0.00 H new ATOM 337 N ASN A 21 -7.510 12.103 6.747 1.00 0.00 N ATOM 338 CA ASN A 21 -7.062 13.513 6.709 1.00 0.00 C ATOM 339 C ASN A 21 -5.793 13.742 5.890 1.00 0.00 C ATOM 340 O ASN A 21 -5.379 14.890 5.709 1.00 0.00 O ATOM 341 CB ASN A 21 -6.858 14.039 8.135 1.00 0.00 C ATOM 342 CG ASN A 21 -8.174 14.009 8.908 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.392 13.055 9.769 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.027 14.874 8.717 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.772 11.399 6.771 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.856 14.065 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.113 13.432 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.472 15.058 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.855 15.620 8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.907 14.846 9.233 1.00 0.00 H new ATOM 351 N LEU A 22 -5.184 12.679 5.386 1.00 0.00 N ATOM 352 CA LEU A 22 -3.971 12.829 4.580 1.00 0.00 C ATOM 353 C LEU A 22 -4.317 13.220 3.152 1.00 0.00 C ATOM 354 O LEU A 22 -5.370 12.836 2.639 1.00 0.00 O ATOM 355 CB LEU A 22 -3.185 11.523 4.566 1.00 0.00 C ATOM 356 CG LEU A 22 -2.827 11.117 5.995 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.072 9.800 5.962 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.935 12.177 6.640 1.00 0.00 C ATOM 0 H LEU A 22 -5.499 11.717 5.515 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.364 13.617 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.775 10.738 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.278 11.641 3.974 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.745 11.017 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.813 9.504 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.699 9.032 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.161 9.917 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.688 11.874 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.018 12.283 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.462 13.131 6.663 1.00 0.00 H new ATOM 370 N ASN A 23 -3.414 13.966 2.506 1.00 0.00 N ATOM 371 CA ASN A 23 -3.641 14.374 1.123 1.00 0.00 C ATOM 372 C ASN A 23 -2.944 13.392 0.191 1.00 0.00 C ATOM 373 O ASN A 23 -2.110 12.596 0.631 1.00 0.00 O ATOM 374 CB ASN A 23 -3.163 15.821 0.881 1.00 0.00 C ATOM 375 CG ASN A 23 -1.639 15.921 0.838 1.00 0.00 C ATOM 376 OD1 ASN A 23 -0.943 15.183 1.523 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.078 16.806 0.062 1.00 0.00 N ATOM 0 H ASN A 23 -2.537 14.292 2.912 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.711 14.358 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.577 16.187 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.546 16.466 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.061 16.882 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.656 17.422 -0.510 1.00 0.00 H new ATOM 384 N GLY A 24 -3.311 13.434 -1.085 1.00 0.00 N ATOM 385 CA GLY A 24 -2.743 12.524 -2.074 1.00 0.00 C ATOM 386 C GLY A 24 -1.220 12.447 -1.990 1.00 0.00 C ATOM 387 O GLY A 24 -0.644 11.383 -2.182 1.00 0.00 O ATOM 0 H GLY A 24 -3.999 14.088 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.163 11.528 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.033 12.851 -3.073 1.00 0.00 H new ATOM 391 N VAL A 25 -0.572 13.574 -1.706 1.00 0.00 N ATOM 392 CA VAL A 25 0.887 13.599 -1.621 1.00 0.00 C ATOM 393 C VAL A 25 1.404 12.933 -0.354 1.00 0.00 C ATOM 394 O VAL A 25 2.319 12.120 -0.435 1.00 0.00 O ATOM 395 CB VAL A 25 1.394 15.035 -1.725 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.909 15.066 -1.486 1.00 0.00 C ATOM 397 CG2 VAL A 25 1.093 15.544 -3.136 1.00 0.00 C ATOM 0 H VAL A 25 -1.026 14.471 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 25 1.275 13.021 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 25 0.905 15.662 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.268 16.092 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.129 14.676 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.408 14.451 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.446 16.570 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.600 14.913 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.018 15.512 -3.313 1.00 0.00 H new ATOM 407 N GLN A 26 0.839 13.265 0.811 1.00 0.00 N ATOM 408 CA GLN A 26 1.306 12.652 2.047 1.00 0.00 C ATOM 409 C GLN A 26 1.110 11.147 2.001 1.00 0.00 C ATOM 410 O GLN A 26 2.006 10.398 2.378 1.00 0.00 O ATOM 411 CB GLN A 26 0.599 13.257 3.256 1.00 0.00 C ATOM 412 CG GLN A 26 1.419 14.456 3.762 1.00 0.00 C ATOM 413 CD GLN A 26 0.495 15.532 4.293 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.148 15.309 5.388 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.352 16.596 3.692 1.00 0.00 N flip ATOM 0 H GLN A 26 0.079 13.936 0.919 1.00 0.00 H new ATOM 0 HA GLN A 26 2.372 12.855 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.407 13.576 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.495 12.511 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.103 14.133 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.029 14.857 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.864 16.766 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.279 17.309 4.060 1.00 0.00 H new ATOM 424 N VAL A 27 -0.045 10.708 1.501 1.00 0.00 N ATOM 425 CA VAL A 27 -0.304 9.274 1.392 1.00 0.00 C ATOM 426 C VAL A 27 0.723 8.645 0.454 1.00 0.00 C ATOM 427 O VAL A 27 1.336 7.629 0.782 1.00 0.00 O ATOM 428 CB VAL A 27 -1.725 9.010 0.873 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.954 7.497 0.770 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.753 9.608 1.843 1.00 0.00 C ATOM 0 H VAL A 27 -0.800 11.309 1.172 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.219 8.826 2.382 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.840 9.472 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.962 7.306 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.228 7.065 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.835 7.043 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.759 9.418 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.637 9.149 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.594 10.683 1.925 1.00 0.00 H new ATOM 440 N LYS A 28 0.926 9.287 -0.699 1.00 0.00 N ATOM 441 CA LYS A 28 1.907 8.820 -1.674 1.00 0.00 C ATOM 442 C LYS A 28 3.313 8.864 -1.085 1.00 0.00 C ATOM 443 O LYS A 28 4.138 8.016 -1.391 1.00 0.00 O ATOM 444 CB LYS A 28 1.841 9.652 -2.967 1.00 0.00 C ATOM 445 CG LYS A 28 0.640 9.185 -3.807 1.00 0.00 C ATOM 446 CD LYS A 28 0.791 9.633 -5.267 1.00 0.00 C ATOM 447 CE LYS A 28 1.045 11.145 -5.350 1.00 0.00 C ATOM 448 NZ LYS A 28 2.512 11.410 -5.283 1.00 0.00 N ATOM 0 H LYS A 28 0.424 10.130 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 28 1.666 7.786 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.743 10.711 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.764 9.537 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.559 8.099 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.281 9.592 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.616 9.095 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.111 9.380 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.635 11.542 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.535 11.655 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.764 12.145 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.763 11.733 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.033 10.537 -5.501 1.00 0.00 H new ATOM 462 N ALA A 29 3.566 9.863 -0.241 1.00 0.00 N ATOM 463 CA ALA A 29 4.860 10.032 0.398 1.00 0.00 C ATOM 464 C ALA A 29 5.102 8.930 1.390 1.00 0.00 C ATOM 465 O ALA A 29 6.188 8.365 1.445 1.00 0.00 O ATOM 466 CB ALA A 29 4.910 11.357 1.135 1.00 0.00 C ATOM 0 H ALA A 29 2.880 10.573 0.015 1.00 0.00 H new ATOM 0 HA ALA A 29 5.625 10.006 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.884 11.473 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.751 12.172 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.130 11.379 1.896 1.00 0.00 H new ATOM 472 N PHE A 30 4.070 8.620 2.165 1.00 0.00 N ATOM 473 CA PHE A 30 4.167 7.572 3.131 1.00 0.00 C ATOM 474 C PHE A 30 4.381 6.280 2.379 1.00 0.00 C ATOM 475 O PHE A 30 5.211 5.461 2.764 1.00 0.00 O ATOM 476 CB PHE A 30 2.903 7.516 3.980 1.00 0.00 C ATOM 477 CG PHE A 30 2.749 8.790 4.798 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.844 9.314 5.513 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.509 9.454 4.847 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.692 10.478 6.260 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.372 10.617 5.597 1.00 0.00 C ATOM 482 CZ PHE A 30 2.459 11.126 6.301 1.00 0.00 C ATOM 0 H PHE A 30 3.164 9.088 2.132 1.00 0.00 H new ATOM 0 HA PHE A 30 5.000 7.747 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.033 7.383 3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.943 6.653 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.800 8.813 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.664 9.060 4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.531 10.880 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.420 11.126 5.633 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.346 12.029 6.883 1.00 0.00 H new ATOM 492 N ILE A 31 3.669 6.151 1.252 1.00 0.00 N ATOM 493 CA ILE A 31 3.823 4.994 0.391 1.00 0.00 C ATOM 494 C ILE A 31 5.244 4.965 -0.137 1.00 0.00 C ATOM 495 O ILE A 31 5.896 3.945 -0.130 1.00 0.00 O ATOM 496 CB ILE A 31 2.810 5.026 -0.781 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.426 4.559 -0.274 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.290 4.116 -1.941 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.373 4.674 -1.382 1.00 0.00 C ATOM 0 H ILE A 31 2.987 6.835 0.925 1.00 0.00 H new ATOM 0 HA ILE A 31 3.623 4.091 0.968 1.00 0.00 H new ATOM 0 HB ILE A 31 2.733 6.046 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.489 3.526 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.126 5.161 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.566 4.151 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.258 4.465 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.384 3.091 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.593 4.340 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.297 5.712 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.665 4.052 -2.228 1.00 0.00 H new ATOM 511 N ASP A 32 5.715 6.105 -0.586 1.00 0.00 N ATOM 512 CA ASP A 32 7.062 6.201 -1.124 1.00 0.00 C ATOM 513 C ASP A 32 8.109 5.902 -0.059 1.00 0.00 C ATOM 514 O ASP A 32 9.099 5.223 -0.325 1.00 0.00 O ATOM 515 CB ASP A 32 7.264 7.595 -1.738 1.00 0.00 C ATOM 516 CG ASP A 32 6.420 7.761 -3.012 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.113 6.760 -3.648 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.094 8.891 -3.335 1.00 0.00 O ATOM 0 H ASP A 32 5.191 6.980 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 32 7.187 5.450 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.988 8.360 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.318 7.744 -1.973 1.00 0.00 H new ATOM 523 N SER A 33 7.854 6.375 1.148 1.00 0.00 N ATOM 524 CA SER A 33 8.747 6.124 2.275 1.00 0.00 C ATOM 525 C SER A 33 8.712 4.631 2.591 1.00 0.00 C ATOM 526 O SER A 33 9.730 4.009 2.884 1.00 0.00 O ATOM 527 CB SER A 33 8.292 6.941 3.480 1.00 0.00 C ATOM 528 OG SER A 33 8.350 8.325 3.158 1.00 0.00 O ATOM 0 H SER A 33 7.034 6.937 1.377 1.00 0.00 H new ATOM 0 HA SER A 33 9.767 6.420 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.276 6.663 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.928 6.729 4.339 1.00 0.00 H new ATOM 0 HG SER A 33 7.621 8.549 2.543 1.00 0.00 H new ATOM 534 N LEU A 34 7.510 4.079 2.460 1.00 0.00 N ATOM 535 CA LEU A 34 7.242 2.655 2.646 1.00 0.00 C ATOM 536 C LEU A 34 8.061 1.865 1.629 1.00 0.00 C ATOM 537 O LEU A 34 8.808 0.950 1.974 1.00 0.00 O ATOM 538 CB LEU A 34 5.743 2.454 2.387 1.00 0.00 C ATOM 539 CG LEU A 34 4.971 2.280 3.692 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.733 3.177 3.714 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.530 0.837 3.788 1.00 0.00 C ATOM 0 H LEU A 34 6.679 4.618 2.217 1.00 0.00 H new ATOM 0 HA LEU A 34 7.509 2.316 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.349 3.311 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.596 1.578 1.756 1.00 0.00 H new ATOM 0 HG LEU A 34 5.613 2.553 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.198 3.036 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.037 4.220 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.079 2.915 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.975 0.687 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.891 0.595 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.405 0.188 3.780 1.00 0.00 H new ATOM 553 N ARG A 35 7.915 2.268 0.376 1.00 0.00 N ATOM 554 CA ARG A 35 8.635 1.657 -0.744 1.00 0.00 C ATOM 555 C ARG A 35 10.145 1.774 -0.545 1.00 0.00 C ATOM 556 O ARG A 35 10.890 0.816 -0.758 1.00 0.00 O ATOM 557 CB ARG A 35 8.255 2.388 -2.035 1.00 0.00 C ATOM 558 CG ARG A 35 6.774 2.174 -2.329 1.00 0.00 C ATOM 559 CD ARG A 35 6.315 3.096 -3.456 1.00 0.00 C ATOM 560 NE ARG A 35 6.914 2.689 -4.712 1.00 0.00 N ATOM 561 CZ ARG A 35 6.533 1.590 -5.344 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.713 0.749 -4.769 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.969 1.363 -6.546 1.00 0.00 N ATOM 0 H ARG A 35 7.294 3.029 0.101 1.00 0.00 H new ATOM 0 HA ARG A 35 8.365 0.603 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.466 3.453 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.858 2.018 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.599 1.135 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.187 2.367 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.228 3.069 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.592 4.125 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 35 7.650 3.266 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.364 0.939 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.422 -0.096 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.599 2.028 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.682 0.519 -7.042 1.00 0.00 H new ATOM 577 N ASP A 36 10.574 2.965 -0.128 1.00 0.00 N ATOM 578 CA ASP A 36 11.985 3.245 0.113 1.00 0.00 C ATOM 579 C ASP A 36 12.495 2.442 1.300 1.00 0.00 C ATOM 580 O ASP A 36 13.631 1.963 1.299 1.00 0.00 O ATOM 581 CB ASP A 36 12.173 4.734 0.380 1.00 0.00 C ATOM 582 CG ASP A 36 13.661 5.076 0.465 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.258 5.302 -0.575 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.181 5.103 1.568 1.00 0.00 O ATOM 0 H ASP A 36 9.956 3.757 0.051 1.00 0.00 H new ATOM 0 HA ASP A 36 12.554 2.958 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.705 5.315 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.676 5.009 1.311 1.00 0.00 H new ATOM 589 N ASP A 37 11.640 2.310 2.309 1.00 0.00 N ATOM 590 CA ASP A 37 11.988 1.573 3.515 1.00 0.00 C ATOM 591 C ASP A 37 10.752 0.913 4.116 1.00 0.00 C ATOM 592 O ASP A 37 9.982 1.545 4.845 1.00 0.00 O ATOM 593 CB ASP A 37 12.649 2.510 4.536 1.00 0.00 C ATOM 594 CG ASP A 37 13.322 1.695 5.642 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.623 0.966 6.324 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.527 1.810 5.791 1.00 0.00 O ATOM 0 H ASP A 37 10.700 2.705 2.314 1.00 0.00 H new ATOM 0 HA ASP A 37 12.698 0.789 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.386 3.140 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.901 3.175 4.968 1.00 0.00 H new ATOM 601 N PRO A 38 10.553 -0.349 3.818 1.00 0.00 N ATOM 602 CA PRO A 38 9.393 -1.122 4.332 1.00 0.00 C ATOM 603 C PRO A 38 9.506 -1.455 5.818 1.00 0.00 C ATOM 604 O PRO A 38 8.505 -1.669 6.496 1.00 0.00 O ATOM 605 CB PRO A 38 9.371 -2.387 3.484 1.00 0.00 C ATOM 606 CG PRO A 38 10.499 -2.303 2.506 1.00 0.00 C ATOM 607 CD PRO A 38 11.412 -1.176 2.959 1.00 0.00 C ATOM 0 HA PRO A 38 8.473 -0.543 4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.477 -3.270 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.419 -2.480 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.044 -3.246 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.122 -2.111 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.275 -1.556 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.796 -0.608 2.112 1.00 0.00 H new ATOM 615 N SER A 39 10.721 -1.487 6.330 1.00 0.00 N ATOM 616 CA SER A 39 10.911 -1.764 7.751 1.00 0.00 C ATOM 617 C SER A 39 10.384 -0.567 8.554 1.00 0.00 C ATOM 618 O SER A 39 10.159 -0.657 9.762 1.00 0.00 O ATOM 619 CB SER A 39 12.392 -2.028 8.071 1.00 0.00 C ATOM 620 OG SER A 39 13.090 -0.799 8.229 1.00 0.00 O ATOM 0 H SER A 39 11.579 -1.329 5.801 1.00 0.00 H new ATOM 0 HA SER A 39 10.359 -2.664 8.024 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.474 -2.620 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.846 -2.611 7.270 1.00 0.00 H new ATOM 0 HG SER A 39 13.189 -0.364 7.356 1.00 0.00 H new ATOM 626 N GLN A 40 10.192 0.551 7.840 1.00 0.00 N ATOM 627 CA GLN A 40 9.690 1.792 8.428 1.00 0.00 C ATOM 628 C GLN A 40 8.187 1.966 8.194 1.00 0.00 C ATOM 629 O GLN A 40 7.618 2.958 8.608 1.00 0.00 O ATOM 630 CB GLN A 40 10.419 2.990 7.790 1.00 0.00 C ATOM 631 CG GLN A 40 11.387 3.624 8.791 1.00 0.00 C ATOM 632 CD GLN A 40 12.662 2.788 8.890 1.00 0.00 C ATOM 633 OE1 GLN A 40 13.691 3.157 8.329 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.649 1.674 9.567 1.00 0.00 N ATOM 0 H GLN A 40 10.381 0.616 6.840 1.00 0.00 H new ATOM 0 HA GLN A 40 9.873 1.745 9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.965 2.662 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.692 3.731 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.632 4.639 8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.914 3.697 9.770 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.794 1.370 10.032 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.494 1.107 9.632 1.00 0.00 H new ATOM 643 N SER A 41 7.555 1.030 7.501 1.00 0.00 N ATOM 644 CA SER A 41 6.130 1.152 7.172 1.00 0.00 C ATOM 645 C SER A 41 5.273 1.521 8.382 1.00 0.00 C ATOM 646 O SER A 41 4.360 2.339 8.268 1.00 0.00 O ATOM 647 CB SER A 41 5.629 -0.183 6.638 1.00 0.00 C ATOM 648 OG SER A 41 6.515 -0.647 5.643 1.00 0.00 O ATOM 0 H SER A 41 7.998 0.179 7.154 1.00 0.00 H new ATOM 0 HA SER A 41 6.040 1.949 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.560 -0.909 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.627 -0.070 6.225 1.00 0.00 H new ATOM 0 HG SER A 41 7.013 -1.420 5.983 1.00 0.00 H new ATOM 654 N ALA A 42 5.584 0.942 9.533 1.00 0.00 N ATOM 655 CA ALA A 42 4.845 1.240 10.753 1.00 0.00 C ATOM 656 C ALA A 42 5.064 2.689 11.154 1.00 0.00 C ATOM 657 O ALA A 42 4.171 3.350 11.678 1.00 0.00 O ATOM 658 CB ALA A 42 5.346 0.344 11.875 1.00 0.00 C ATOM 0 H ALA A 42 6.339 0.266 9.648 1.00 0.00 H new ATOM 0 HA ALA A 42 3.784 1.067 10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.795 0.564 12.790 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.194 -0.700 11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.408 0.525 12.039 1.00 0.00 H new ATOM 664 N ASN A 43 6.279 3.155 10.896 1.00 0.00 N ATOM 665 CA ASN A 43 6.685 4.508 11.208 1.00 0.00 C ATOM 666 C ASN A 43 5.991 5.517 10.305 1.00 0.00 C ATOM 667 O ASN A 43 5.680 6.627 10.706 1.00 0.00 O ATOM 668 CB ASN A 43 8.191 4.603 11.009 1.00 0.00 C ATOM 669 CG ASN A 43 8.717 5.956 11.471 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.544 6.335 12.629 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.356 6.710 10.622 1.00 0.00 N ATOM 0 H ASN A 43 7.012 2.595 10.461 1.00 0.00 H new ATOM 0 HA ASN A 43 6.408 4.738 12.237 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.686 3.807 11.565 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.433 4.455 9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.715 7.618 10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.497 6.392 9.663 1.00 0.00 H new ATOM 678 N LEU A 44 5.782 5.095 9.078 1.00 0.00 N ATOM 679 CA LEU A 44 5.148 5.905 8.049 1.00 0.00 C ATOM 680 C LEU A 44 3.686 5.971 8.334 1.00 0.00 C ATOM 681 O LEU A 44 3.040 7.009 8.203 1.00 0.00 O ATOM 682 CB LEU A 44 5.474 5.250 6.718 1.00 0.00 C ATOM 683 CG LEU A 44 7.002 5.152 6.686 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.484 4.234 5.586 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.565 6.544 6.535 1.00 0.00 C ATOM 0 H LEU A 44 6.050 4.165 8.757 1.00 0.00 H new ATOM 0 HA LEU A 44 5.508 6.934 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.014 4.265 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.099 5.844 5.884 1.00 0.00 H new ATOM 0 HG LEU A 44 7.356 4.714 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.573 4.192 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.081 3.234 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.146 4.613 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.654 6.495 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.200 6.985 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.248 7.158 7.378 1.00 0.00 H new ATOM 697 N LEU A 45 3.221 4.856 8.825 1.00 0.00 N ATOM 698 CA LEU A 45 1.856 4.735 9.278 1.00 0.00 C ATOM 699 C LEU A 45 1.716 5.640 10.495 1.00 0.00 C ATOM 700 O LEU A 45 0.703 6.310 10.695 1.00 0.00 O ATOM 701 CB LEU A 45 1.573 3.273 9.634 1.00 0.00 C ATOM 702 CG LEU A 45 0.315 3.154 10.496 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.883 3.763 9.764 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.062 1.675 10.788 1.00 0.00 C ATOM 0 H LEU A 45 3.774 4.004 8.924 1.00 0.00 H new ATOM 0 HA LEU A 45 1.141 5.031 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.450 2.690 8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.425 2.853 10.168 1.00 0.00 H new ATOM 0 HG LEU A 45 0.454 3.695 11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.774 3.673 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.688 4.816 9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.042 3.234 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.833 1.573 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.079 1.138 9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.917 1.258 11.320 1.00 0.00 H new ATOM 716 N ALA A 46 2.787 5.666 11.280 1.00 0.00 N ATOM 717 CA ALA A 46 2.859 6.495 12.470 1.00 0.00 C ATOM 718 C ALA A 46 2.831 7.956 12.076 1.00 0.00 C ATOM 719 O ALA A 46 2.097 8.769 12.644 1.00 0.00 O ATOM 720 CB ALA A 46 4.171 6.225 13.206 1.00 0.00 C ATOM 0 H ALA A 46 3.626 5.113 11.107 1.00 0.00 H new ATOM 0 HA ALA A 46 2.010 6.261 13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.222 6.848 14.099 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.217 5.175 13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.010 6.459 12.551 1.00 0.00 H new ATOM 726 N GLU A 47 3.640 8.254 11.073 1.00 0.00 N ATOM 727 CA GLU A 47 3.756 9.580 10.528 1.00 0.00 C ATOM 728 C GLU A 47 2.439 9.997 9.936 1.00 0.00 C ATOM 729 O GLU A 47 2.033 11.143 10.037 1.00 0.00 O ATOM 730 CB GLU A 47 4.791 9.557 9.415 1.00 0.00 C ATOM 731 CG GLU A 47 6.215 9.634 9.956 1.00 0.00 C ATOM 732 CD GLU A 47 6.397 10.872 10.841 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.165 11.967 10.353 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.755 10.705 11.995 1.00 0.00 O ATOM 0 H GLU A 47 4.239 7.567 10.614 1.00 0.00 H new ATOM 0 HA GLU A 47 4.047 10.275 11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.674 8.644 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.615 10.393 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.439 8.735 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.922 9.667 9.127 1.00 0.00 H new ATOM 741 N ALA A 48 1.783 9.040 9.312 1.00 0.00 N ATOM 742 CA ALA A 48 0.517 9.279 8.694 1.00 0.00 C ATOM 743 C ALA A 48 -0.513 9.578 9.757 1.00 0.00 C ATOM 744 O ALA A 48 -1.265 10.536 9.638 1.00 0.00 O ATOM 745 CB ALA A 48 0.147 8.050 7.906 1.00 0.00 C ATOM 0 H ALA A 48 2.120 8.081 9.225 1.00 0.00 H new ATOM 0 HA ALA A 48 0.563 10.137 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.818 8.205 7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.907 7.861 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.083 7.193 8.577 1.00 0.00 H new ATOM 751 N LYS A 49 -0.507 8.779 10.822 1.00 0.00 N ATOM 752 CA LYS A 49 -1.414 9.008 11.936 1.00 0.00 C ATOM 753 C LYS A 49 -1.159 10.395 12.491 1.00 0.00 C ATOM 754 O LYS A 49 -2.074 11.070 12.959 1.00 0.00 O ATOM 755 CB LYS A 49 -1.179 7.964 13.031 1.00 0.00 C ATOM 756 CG LYS A 49 -2.318 6.945 13.026 1.00 0.00 C ATOM 757 CD LYS A 49 -2.219 6.062 11.775 1.00 0.00 C ATOM 758 CE LYS A 49 -3.396 5.084 11.718 1.00 0.00 C ATOM 759 NZ LYS A 49 -4.672 5.797 12.016 1.00 0.00 N ATOM 0 H LYS A 49 0.111 7.975 10.934 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.445 8.925 11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.227 7.460 12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.119 8.451 14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.270 6.328 13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.279 7.459 13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.213 6.686 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.279 5.510 11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.449 4.625 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.244 4.279 12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.995 5.546 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.517 6.824 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.395 5.519 11.322 1.00 0.00 H new ATOM 773 N LYS A 50 0.104 10.808 12.414 1.00 0.00 N ATOM 774 CA LYS A 50 0.511 12.109 12.889 1.00 0.00 C ATOM 775 C LYS A 50 0.058 13.194 11.933 1.00 0.00 C ATOM 776 O LYS A 50 -0.436 14.241 12.353 1.00 0.00 O ATOM 777 CB LYS A 50 2.035 12.129 13.056 1.00 0.00 C ATOM 778 CG LYS A 50 2.478 13.409 13.774 1.00 0.00 C ATOM 779 CD LYS A 50 3.995 13.361 14.004 1.00 0.00 C ATOM 780 CE LYS A 50 4.736 13.698 12.705 1.00 0.00 C ATOM 781 NZ LYS A 50 6.190 13.424 12.879 1.00 0.00 N ATOM 0 H LYS A 50 0.861 10.248 12.022 1.00 0.00 H new ATOM 0 HA LYS A 50 0.043 12.304 13.854 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.356 11.256 13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.515 12.068 12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.216 14.283 13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.957 13.505 14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.275 14.068 14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.287 12.370 14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.339 13.104 11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.581 14.745 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.723 13.880 12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.508 13.803 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.355 12.398 12.853 1.00 0.00 H new ATOM 795 N LEU A 51 0.228 12.929 10.646 1.00 0.00 N ATOM 796 CA LEU A 51 -0.164 13.877 9.622 1.00 0.00 C ATOM 797 C LEU A 51 -1.675 13.968 9.568 1.00 0.00 C ATOM 798 O LEU A 51 -2.244 15.055 9.476 1.00 0.00 O ATOM 799 CB LEU A 51 0.392 13.461 8.253 1.00 0.00 C ATOM 800 CG LEU A 51 1.739 14.150 7.970 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.611 15.670 8.133 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.824 13.609 8.916 1.00 0.00 C ATOM 0 H LEU A 51 0.635 12.064 10.289 1.00 0.00 H new ATOM 0 HA LEU A 51 0.248 14.855 9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.520 12.379 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.324 13.720 7.472 1.00 0.00 H new ATOM 0 HG LEU A 51 2.026 13.933 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.573 16.140 7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.866 16.049 7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.303 15.902 9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.771 14.105 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.536 13.803 9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.935 12.535 8.766 1.00 0.00 H new ATOM 814 N ASN A 52 -2.310 12.806 9.651 1.00 0.00 N ATOM 815 CA ASN A 52 -3.746 12.721 9.644 1.00 0.00 C ATOM 816 C ASN A 52 -4.295 13.461 10.843 1.00 0.00 C ATOM 817 O ASN A 52 -5.235 14.239 10.726 1.00 0.00 O ATOM 818 CB ASN A 52 -4.162 11.259 9.719 1.00 0.00 C ATOM 819 CG ASN A 52 -5.673 11.143 9.736 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.291 11.073 8.684 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.308 11.120 10.875 1.00 0.00 N ATOM 0 H ASN A 52 -1.837 11.905 9.724 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.137 13.166 8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.758 10.715 8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.745 10.801 10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.325 11.043 10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.788 11.179 11.750 1.00 0.00 H new ATOM 828 N ASP A 53 -3.678 13.212 12.001 1.00 0.00 N ATOM 829 CA ASP A 53 -4.096 13.866 13.227 1.00 0.00 C ATOM 830 C ASP A 53 -3.879 15.367 13.115 1.00 0.00 C ATOM 831 O ASP A 53 -4.724 16.162 13.528 1.00 0.00 O ATOM 832 CB ASP A 53 -3.330 13.314 14.430 1.00 0.00 C ATOM 833 CG ASP A 53 -3.794 14.011 15.711 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.782 13.572 16.277 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.163 14.982 16.096 1.00 0.00 O ATOM 0 H ASP A 53 -2.895 12.567 12.107 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.157 13.666 13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.491 12.239 14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.260 13.466 14.291 1.00 0.00 H new ATOM 840 N ALA A 54 -2.740 15.740 12.533 1.00 0.00 N ATOM 841 CA ALA A 54 -2.407 17.139 12.337 1.00 0.00 C ATOM 842 C ALA A 54 -3.436 17.780 11.414 1.00 0.00 C ATOM 843 O ALA A 54 -3.823 18.935 11.598 1.00 0.00 O ATOM 844 CB ALA A 54 -1.011 17.254 11.723 1.00 0.00 C ATOM 0 H ALA A 54 -2.035 15.087 12.191 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.416 17.654 13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.763 18.305 11.577 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.281 16.799 12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.993 16.740 10.762 1.00 0.00 H new ATOM 850 N GLN A 55 -3.881 17.000 10.428 1.00 0.00 N ATOM 851 CA GLN A 55 -4.879 17.457 9.469 1.00 0.00 C ATOM 852 C GLN A 55 -6.296 17.140 9.962 1.00 0.00 C ATOM 853 O GLN A 55 -7.278 17.447 9.283 1.00 0.00 O ATOM 854 CB GLN A 55 -4.621 16.767 8.131 1.00 0.00 C ATOM 855 CG GLN A 55 -3.347 17.337 7.498 1.00 0.00 C ATOM 856 CD GLN A 55 -2.901 16.450 6.347 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.515 15.234 6.600 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -2.909 16.869 5.190 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.562 16.043 10.275 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.801 18.538 9.354 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.517 15.692 8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.470 16.916 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.530 18.350 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.557 17.403 8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.212 17.823 4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.612 16.262 4.426 1.00 0.00 H new ATOM 867 N ALA A 56 -6.391 16.521 11.145 1.00 0.00 N ATOM 868 CA ALA A 56 -7.690 16.159 11.718 1.00 0.00 C ATOM 869 C ALA A 56 -8.360 17.365 12.358 1.00 0.00 C ATOM 870 O ALA A 56 -7.711 18.382 12.623 1.00 0.00 O ATOM 871 CB ALA A 56 -7.531 15.044 12.760 1.00 0.00 C ATOM 0 H ALA A 56 -5.589 16.262 11.720 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.321 15.800 10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.507 14.790 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.097 14.163 12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.876 15.386 13.561 1.00 0.00 H new ATOM 877 N PRO A 57 -9.650 17.274 12.600 1.00 0.00 N ATOM 878 CA PRO A 57 -10.452 18.368 13.205 1.00 0.00 C ATOM 879 C PRO A 57 -10.334 18.395 14.727 1.00 0.00 C ATOM 880 O PRO A 57 -11.223 18.882 15.428 1.00 0.00 O ATOM 881 CB PRO A 57 -11.887 18.043 12.742 1.00 0.00 C ATOM 882 CG PRO A 57 -11.798 16.800 11.914 1.00 0.00 C ATOM 883 CD PRO A 57 -10.516 16.123 12.334 1.00 0.00 C ATOM 0 HA PRO A 57 -10.118 19.359 12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.545 17.892 13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.303 18.866 12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.658 16.152 12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.785 17.038 10.850 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.652 15.499 13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.115 15.481 11.550 1.00 0.00 H new ATOM 891 N LYS A 58 -9.204 17.881 15.201 1.00 0.00 N ATOM 892 CA LYS A 58 -8.882 17.823 16.628 1.00 0.00 C ATOM 893 C LYS A 58 -10.122 17.482 17.479 1.00 0.00 C ATOM 894 O LYS A 58 -10.556 18.318 18.262 1.00 0.00 O ATOM 895 CB LYS A 58 -8.253 19.152 17.055 1.00 0.00 C ATOM 896 CG LYS A 58 -7.067 19.507 16.138 1.00 0.00 C ATOM 897 CD LYS A 58 -5.965 18.440 16.243 1.00 0.00 C ATOM 898 CE LYS A 58 -4.763 18.851 15.387 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.141 18.800 13.946 1.00 0.00 N ATOM 900 OXT LYS A 58 -10.624 16.382 17.326 1.00 0.00 O ATOM 0 H LYS A 58 -8.477 17.489 14.602 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.165 17.020 16.796 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.001 19.944 17.016 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.914 19.085 18.089 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.409 19.585 15.106 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.665 20.482 16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.659 18.321 17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.347 17.475 15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.439 19.857 15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.922 18.184 15.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.331 19.095 13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.414 17.829 13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.942 19.440 13.774 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -15.073 -3.489 2.817 1.00 0.00 N ATOM 916 CA VAL B 1 -15.875 -4.612 3.383 1.00 0.00 C ATOM 917 C VAL B 1 -14.931 -5.667 3.962 1.00 0.00 C ATOM 918 O VAL B 1 -13.813 -5.848 3.474 1.00 0.00 O ATOM 919 CB VAL B 1 -16.758 -5.219 2.271 1.00 0.00 C ATOM 920 CG1 VAL B 1 -15.884 -5.854 1.177 1.00 0.00 C ATOM 921 CG2 VAL B 1 -17.686 -6.288 2.869 1.00 0.00 C ATOM 0 H1 VAL B 1 -15.432 -3.248 1.871 1.00 0.00 H new ATOM 0 H2 VAL B 1 -15.151 -2.659 3.439 1.00 0.00 H new ATOM 0 H3 VAL B 1 -14.076 -3.776 2.746 1.00 0.00 H new ATOM 0 HA VAL B 1 -16.521 -4.247 4.182 1.00 0.00 H new ATOM 0 HB VAL B 1 -17.355 -4.422 1.828 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -16.522 -6.277 0.401 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -15.238 -5.093 0.740 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -15.271 -6.643 1.613 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -18.307 -6.713 2.080 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -17.087 -7.077 3.324 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -18.323 -5.833 3.627 1.00 0.00 H new ATOM 933 N ASP B 2 -15.398 -6.360 5.001 1.00 0.00 N ATOM 934 CA ASP B 2 -14.603 -7.402 5.646 1.00 0.00 C ATOM 935 C ASP B 2 -14.658 -8.691 4.829 1.00 0.00 C ATOM 936 O ASP B 2 -15.730 -9.106 4.383 1.00 0.00 O ATOM 937 CB ASP B 2 -15.138 -7.663 7.059 1.00 0.00 C ATOM 938 CG ASP B 2 -15.097 -6.373 7.879 1.00 0.00 C ATOM 939 OD1 ASP B 2 -14.012 -5.973 8.266 1.00 0.00 O ATOM 940 OD2 ASP B 2 -16.152 -5.802 8.102 1.00 0.00 O ATOM 0 H ASP B 2 -16.321 -6.218 5.412 1.00 0.00 H new ATOM 0 HA ASP B 2 -13.568 -7.067 5.707 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.160 -8.038 7.006 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -14.540 -8.433 7.547 1.00 0.00 H new ATOM 945 N ASN B 3 -13.495 -9.315 4.633 1.00 0.00 N ATOM 946 CA ASN B 3 -13.411 -10.554 3.870 1.00 0.00 C ATOM 947 C ASN B 3 -12.124 -11.308 4.185 1.00 0.00 C ATOM 948 O ASN B 3 -11.179 -10.748 4.743 1.00 0.00 O ATOM 949 CB ASN B 3 -13.467 -10.260 2.362 1.00 0.00 C ATOM 950 CG ASN B 3 -12.483 -9.148 2.004 1.00 0.00 C ATOM 951 OD1 ASN B 3 -11.257 -9.453 1.685 1.00 0.00 O flip ATOM 952 ND2 ASN B 3 -12.838 -7.972 2.024 1.00 0.00 N flip ATOM 0 H ASN B 3 -12.601 -8.980 4.993 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.261 -11.174 4.154 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.228 -11.162 1.799 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -14.478 -9.966 2.079 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.798 -7.733 2.274 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.173 -7.235 1.791 1.00 0.00 H new ATOM 959 N LYS B 4 -12.096 -12.579 3.791 1.00 0.00 N ATOM 960 CA LYS B 4 -10.920 -13.427 3.994 1.00 0.00 C ATOM 961 C LYS B 4 -9.721 -12.826 3.275 1.00 0.00 C ATOM 962 O LYS B 4 -8.610 -12.784 3.807 1.00 0.00 O ATOM 963 CB LYS B 4 -11.183 -14.843 3.461 1.00 0.00 C ATOM 964 CG LYS B 4 -12.177 -14.803 2.282 1.00 0.00 C ATOM 965 CD LYS B 4 -11.941 -16.006 1.365 1.00 0.00 C ATOM 966 CE LYS B 4 -12.242 -17.289 2.130 1.00 0.00 C ATOM 967 NZ LYS B 4 -12.285 -18.439 1.184 1.00 0.00 N ATOM 0 H LYS B 4 -12.875 -13.047 3.328 1.00 0.00 H new ATOM 0 HA LYS B 4 -10.712 -13.485 5.062 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.246 -15.296 3.138 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -11.582 -15.470 4.259 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.201 -14.815 2.657 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -12.053 -13.877 1.721 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.578 -15.937 0.484 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.910 -16.013 1.013 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -11.479 -17.459 2.889 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.195 -17.198 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -12.491 -19.313 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.029 -18.278 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.366 -18.530 0.706 1.00 0.00 H new ATOM 981 N PHE B 5 -9.975 -12.371 2.057 1.00 0.00 N ATOM 982 CA PHE B 5 -8.952 -11.769 1.221 1.00 0.00 C ATOM 983 C PHE B 5 -8.374 -10.500 1.827 1.00 0.00 C ATOM 984 O PHE B 5 -7.435 -9.953 1.277 1.00 0.00 O ATOM 985 CB PHE B 5 -9.518 -11.479 -0.175 1.00 0.00 C ATOM 986 CG PHE B 5 -9.384 -12.724 -1.008 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.932 -13.924 -0.543 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.699 -12.688 -2.227 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.791 -15.091 -1.299 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.563 -13.852 -2.984 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.107 -15.056 -2.519 1.00 0.00 C ATOM 0 H PHE B 5 -10.897 -12.410 1.622 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.135 -12.487 1.145 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.564 -11.179 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.980 -10.652 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.462 -13.949 0.397 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -8.276 -11.760 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.210 -16.020 -0.941 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.039 -13.825 -3.928 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.998 -15.958 -3.103 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.905 -10.037 2.962 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.348 -8.839 3.593 1.00 0.00 C ATOM 1003 C ASN B 6 -6.886 -9.108 3.918 1.00 0.00 C ATOM 1004 O ASN B 6 -6.019 -8.298 3.605 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.121 -8.479 4.868 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.709 -7.089 5.353 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.465 -6.861 5.675 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.540 -6.184 5.428 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.695 -10.458 3.450 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.433 -7.993 2.910 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.193 -8.502 4.672 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.923 -9.218 5.644 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.512 -6.362 5.176 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.256 -5.256 5.742 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.623 -10.283 4.493 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.256 -10.690 4.804 1.00 0.00 C ATOM 1017 C LYS B 7 -4.453 -10.762 3.511 1.00 0.00 C ATOM 1018 O LYS B 7 -3.315 -10.294 3.439 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.271 -12.066 5.486 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.835 -12.514 5.804 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.856 -13.829 6.603 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.154 -15.013 5.672 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.963 -15.294 4.821 1.00 0.00 N ATOM 0 H LYS B 7 -7.336 -10.965 4.751 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.799 -9.965 5.478 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.857 -12.019 6.404 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.753 -12.797 4.837 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.275 -12.650 4.879 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.323 -11.740 6.376 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.896 -13.978 7.096 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.612 -13.774 7.387 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -4.410 -15.895 6.259 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.016 -14.787 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.163 -15.013 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.148 -14.755 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.746 -16.311 4.853 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.082 -11.345 2.493 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.474 -11.493 1.176 1.00 0.00 C ATOM 1039 C GLU B 8 -4.267 -10.128 0.519 1.00 0.00 C ATOM 1040 O GLU B 8 -3.298 -9.918 -0.217 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.394 -12.359 0.292 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.515 -13.777 0.879 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.133 -14.403 1.084 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.404 -14.523 0.113 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.819 -14.738 2.215 1.00 0.00 O ATOM 0 H GLU B 8 -6.026 -11.727 2.559 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.501 -11.972 1.286 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.381 -11.901 0.223 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.995 -12.410 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.045 -13.737 1.830 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.106 -14.402 0.210 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.190 -9.209 0.798 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.141 -7.866 0.256 1.00 0.00 C ATOM 1054 C ARG B 9 -3.936 -7.131 0.827 1.00 0.00 C ATOM 1055 O ARG B 9 -3.231 -6.425 0.115 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.434 -7.122 0.621 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.465 -5.747 -0.054 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.724 -4.990 0.381 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.705 -4.772 1.828 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.815 -4.843 2.556 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.616 -5.865 2.435 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.102 -3.892 3.398 1.00 0.00 N ATOM 0 H ARG B 9 -5.990 -9.382 1.407 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.048 -7.910 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.299 -7.707 0.309 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.502 -7.005 1.703 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.575 -5.178 0.215 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.454 -5.862 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.780 -4.033 -0.138 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.613 -5.556 0.102 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.820 -4.561 2.289 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.392 -6.614 1.780 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.467 -5.915 2.996 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.475 -3.094 3.498 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.953 -3.946 3.957 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.711 -7.328 2.129 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.595 -6.694 2.827 1.00 0.00 C ATOM 1078 C VAL B 10 -1.275 -7.092 2.175 1.00 0.00 C ATOM 1079 O VAL B 10 -0.366 -6.274 2.046 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.584 -7.110 4.309 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.519 -6.311 5.064 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.976 -6.898 4.946 1.00 0.00 C ATOM 0 H VAL B 10 -4.290 -7.924 2.720 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.717 -5.613 2.763 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.342 -8.171 4.374 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.515 -6.609 6.112 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.540 -6.507 4.628 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.742 -5.247 4.990 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.946 -7.198 5.993 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.251 -5.845 4.878 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.714 -7.501 4.417 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.185 -8.353 1.760 1.00 0.00 N ATOM 1093 CA ILE B 11 0.023 -8.857 1.114 1.00 0.00 C ATOM 1094 C ILE B 11 0.193 -8.233 -0.270 1.00 0.00 C ATOM 1095 O ILE B 11 1.311 -7.898 -0.655 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.015 -10.387 1.027 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.320 -10.953 2.441 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.344 -10.896 0.503 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.542 -12.185 2.762 1.00 0.00 C ATOM 0 H ILE B 11 -1.931 -9.042 1.859 1.00 0.00 H new ATOM 0 HA ILE B 11 0.884 -8.573 1.719 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.792 -10.720 0.339 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.141 -10.180 3.188 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.375 -11.221 2.505 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.325 -11.984 0.438 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.533 -10.477 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.136 -10.587 1.185 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.298 -12.550 3.760 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.344 -12.968 2.030 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.596 -11.911 2.724 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.916 -8.053 -1.008 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.844 -7.434 -2.325 1.00 0.00 C ATOM 1113 C ALA B 12 -0.390 -6.022 -2.159 1.00 0.00 C ATOM 1114 O ALA B 12 0.553 -5.609 -2.808 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.216 -7.453 -2.990 1.00 0.00 C ATOM 0 H ALA B 12 -1.854 -8.325 -0.714 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.144 -7.986 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.150 -6.988 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.554 -8.484 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.926 -6.901 -2.374 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.014 -5.313 -1.223 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.625 -3.944 -0.941 1.00 0.00 C ATOM 1123 C ILE B 13 0.852 -3.963 -0.595 1.00 0.00 C ATOM 1124 O ILE B 13 1.589 -3.068 -0.949 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.451 -3.399 0.239 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.940 -3.453 -0.093 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.103 -1.938 0.515 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.744 -3.378 1.190 1.00 0.00 C ATOM 0 H ILE B 13 -1.784 -5.664 -0.654 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.807 -3.298 -1.800 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.222 -4.014 1.109 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.207 -2.627 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.172 -4.374 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.698 -1.574 1.352 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.044 -1.856 0.760 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.318 -1.339 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.808 -3.416 0.956 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.483 -4.219 1.832 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.520 -2.444 1.706 1.00 0.00 H new ATOM 1140 N GLY B 14 1.271 -5.031 0.063 1.00 0.00 N ATOM 1141 CA GLY B 14 2.673 -5.205 0.423 1.00 0.00 C ATOM 1142 C GLY B 14 3.554 -5.471 -0.801 1.00 0.00 C ATOM 1143 O GLY B 14 4.659 -4.948 -0.896 1.00 0.00 O ATOM 0 H GLY B 14 0.661 -5.793 0.360 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.028 -4.312 0.937 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.767 -6.035 1.124 1.00 0.00 H new ATOM 1147 N GLU B 15 3.067 -6.294 -1.727 1.00 0.00 N ATOM 1148 CA GLU B 15 3.831 -6.647 -2.919 1.00 0.00 C ATOM 1149 C GLU B 15 3.989 -5.453 -3.832 1.00 0.00 C ATOM 1150 O GLU B 15 5.056 -5.228 -4.393 1.00 0.00 O ATOM 1151 CB GLU B 15 3.116 -7.781 -3.649 1.00 0.00 C ATOM 1152 CG GLU B 15 4.048 -8.441 -4.684 1.00 0.00 C ATOM 1153 CD GLU B 15 3.886 -9.964 -4.661 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.765 -10.429 -4.789 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.889 -10.644 -4.524 1.00 0.00 O ATOM 0 H GLU B 15 2.146 -6.729 -1.674 1.00 0.00 H new ATOM 0 HA GLU B 15 4.828 -6.972 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.779 -8.527 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.227 -7.395 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.821 -8.061 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU B 15 5.084 -8.177 -4.470 1.00 0.00 H new ATOM 1162 N ILE B 16 2.915 -4.696 -3.983 1.00 0.00 N ATOM 1163 CA ILE B 16 2.955 -3.510 -4.859 1.00 0.00 C ATOM 1164 C ILE B 16 4.036 -2.561 -4.367 1.00 0.00 C ATOM 1165 O ILE B 16 4.909 -2.127 -5.117 1.00 0.00 O ATOM 1166 CB ILE B 16 1.610 -2.769 -4.818 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.482 -3.812 -4.699 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.457 -1.871 -6.065 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.614 -3.606 -5.695 1.00 0.00 C ATOM 0 H ILE B 16 2.018 -4.865 -3.527 1.00 0.00 H new ATOM 0 HA ILE B 16 3.162 -3.837 -5.878 1.00 0.00 H new ATOM 0 HB ILE B 16 1.559 -2.108 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.902 -4.809 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.063 -3.773 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.500 -1.351 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.266 -1.141 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.497 -2.486 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.377 -4.372 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -1.058 -2.621 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.207 -3.674 -6.704 1.00 0.00 H new ATOM 1181 N MET B 17 3.954 -2.276 -3.082 1.00 0.00 N ATOM 1182 CA MET B 17 4.906 -1.407 -2.400 1.00 0.00 C ATOM 1183 C MET B 17 6.328 -1.974 -2.519 1.00 0.00 C ATOM 1184 O MET B 17 7.293 -1.212 -2.619 1.00 0.00 O ATOM 1185 CB MET B 17 4.459 -1.273 -0.955 1.00 0.00 C ATOM 1186 CG MET B 17 3.013 -0.749 -0.942 1.00 0.00 C ATOM 1187 SD MET B 17 2.987 0.978 -1.419 1.00 0.00 S ATOM 1188 CE MET B 17 3.863 1.566 0.027 1.00 0.00 C ATOM 0 H MET B 17 3.221 -2.641 -2.473 1.00 0.00 H new ATOM 0 HA MET B 17 4.930 -0.418 -2.858 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.518 -2.236 -0.449 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.115 -0.589 -0.417 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.399 -1.334 -1.627 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.583 -0.867 0.053 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.289 2.363 0.501 1.00 0.00 H new ATOM 0 HE2 MET B 17 3.994 0.745 0.732 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.839 1.949 -0.270 1.00 0.00 H new ATOM 1198 N ARG B 18 6.447 -3.313 -2.553 1.00 0.00 N ATOM 1199 CA ARG B 18 7.755 -3.959 -2.713 1.00 0.00 C ATOM 1200 C ARG B 18 8.335 -3.656 -4.091 1.00 0.00 C ATOM 1201 O ARG B 18 9.542 -3.452 -4.233 1.00 0.00 O ATOM 1202 CB ARG B 18 7.636 -5.472 -2.570 1.00 0.00 C ATOM 1203 CG ARG B 18 7.372 -5.863 -1.115 1.00 0.00 C ATOM 1204 CD ARG B 18 8.667 -6.315 -0.429 1.00 0.00 C ATOM 1205 NE ARG B 18 8.420 -7.522 0.353 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.402 -8.723 -0.217 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.307 -9.170 -0.760 1.00 0.00 N ATOM 1208 NH2 ARG B 18 9.482 -9.450 -0.239 1.00 0.00 N ATOM 0 H ARG B 18 5.662 -3.959 -2.473 1.00 0.00 H new ATOM 0 HA ARG B 18 8.409 -3.566 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.827 -5.839 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.553 -5.948 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.947 -5.015 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.636 -6.666 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.437 -6.507 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.042 -5.522 0.218 1.00 0.00 H new ATOM 0 HE ARG B 18 8.258 -7.443 1.357 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.462 -8.599 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.294 -10.091 -1.197 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.342 -9.098 0.181 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.468 -10.371 -0.676 1.00 0.00 H new ATOM 1222 N LEU B 19 7.457 -3.639 -5.106 1.00 0.00 N ATOM 1223 CA LEU B 19 7.878 -3.371 -6.481 1.00 0.00 C ATOM 1224 C LEU B 19 8.564 -2.015 -6.571 1.00 0.00 C ATOM 1225 O LEU B 19 7.926 -0.989 -6.356 1.00 0.00 O ATOM 1226 CB LEU B 19 6.671 -3.368 -7.427 1.00 0.00 C ATOM 1227 CG LEU B 19 5.969 -4.728 -7.464 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.626 -4.572 -8.170 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.810 -5.736 -8.233 1.00 0.00 C ATOM 0 H LEU B 19 6.457 -3.807 -4.997 1.00 0.00 H new ATOM 0 HA LEU B 19 8.571 -4.159 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.963 -2.603 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.998 -3.101 -8.432 1.00 0.00 H new ATOM 0 HG LEU B 19 5.828 -5.083 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.118 -5.536 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.011 -3.855 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.789 -4.214 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.298 -6.698 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.957 -5.384 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.778 -5.849 -7.746 1.00 0.00 H new ATOM 1241 N PRO B 20 9.841 -1.987 -6.874 1.00 0.00 N ATOM 1242 CA PRO B 20 10.609 -0.720 -6.985 1.00 0.00 C ATOM 1243 C PRO B 20 10.386 0.014 -8.313 1.00 0.00 C ATOM 1244 O PRO B 20 10.838 1.151 -8.469 1.00 0.00 O ATOM 1245 CB PRO B 20 12.075 -1.168 -6.857 1.00 0.00 C ATOM 1246 CG PRO B 20 12.071 -2.651 -6.676 1.00 0.00 C ATOM 1247 CD PRO B 20 10.714 -3.141 -7.142 1.00 0.00 C ATOM 0 HA PRO B 20 10.297 -0.005 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.641 -0.891 -7.746 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.554 -0.678 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.870 -3.114 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.240 -2.914 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.721 -3.406 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.393 -4.027 -6.593 1.00 0.00 H new ATOM 1255 N ASN B 21 9.718 -0.637 -9.276 1.00 0.00 N ATOM 1256 CA ASN B 21 9.493 -0.015 -10.583 1.00 0.00 C ATOM 1257 C ASN B 21 8.152 0.722 -10.649 1.00 0.00 C ATOM 1258 O ASN B 21 7.965 1.568 -11.525 1.00 0.00 O ATOM 1259 CB ASN B 21 9.559 -1.073 -11.689 1.00 0.00 C ATOM 1260 CG ASN B 21 10.883 -1.834 -11.634 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.910 -3.090 -11.977 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.918 -1.271 -11.276 1.00 0.00 N flip ATOM 0 H ASN B 21 9.332 -1.576 -9.176 1.00 0.00 H new ATOM 0 HA ASN B 21 10.282 0.722 -10.731 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.729 -1.771 -11.581 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.449 -0.595 -12.663 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.897 -0.287 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.797 -1.788 -11.248 1.00 0.00 H new ATOM 1269 N LEU B 22 7.215 0.405 -9.740 1.00 0.00 N ATOM 1270 CA LEU B 22 5.911 1.076 -9.764 1.00 0.00 C ATOM 1271 C LEU B 22 6.011 2.536 -9.347 1.00 0.00 C ATOM 1272 O LEU B 22 6.939 2.949 -8.649 1.00 0.00 O ATOM 1273 CB LEU B 22 4.876 0.382 -8.860 1.00 0.00 C ATOM 1274 CG LEU B 22 4.632 -1.062 -9.288 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.369 -1.594 -8.602 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.439 -1.107 -10.785 1.00 0.00 C ATOM 0 H LEU B 22 7.332 -0.290 -9.002 1.00 0.00 H new ATOM 0 HA LEU B 22 5.578 1.016 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.223 0.402 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.937 0.935 -8.891 1.00 0.00 H new ATOM 0 HG LEU B 22 5.486 -1.676 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.196 -2.626 -8.908 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.498 -1.554 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.514 -0.982 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.264 -2.136 -11.099 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.581 -0.493 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.332 -0.724 -11.279 1.00 0.00 H new ATOM 1288 N ASN B 23 5.022 3.299 -9.795 1.00 0.00 N ATOM 1289 CA ASN B 23 4.925 4.717 -9.502 1.00 0.00 C ATOM 1290 C ASN B 23 4.111 4.914 -8.224 1.00 0.00 C ATOM 1291 O ASN B 23 3.308 4.052 -7.860 1.00 0.00 O ATOM 1292 CB ASN B 23 4.255 5.392 -10.720 1.00 0.00 C ATOM 1293 CG ASN B 23 3.331 6.539 -10.347 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.161 6.538 -10.712 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.791 7.531 -9.667 1.00 0.00 N ATOM 0 H ASN B 23 4.261 2.946 -10.375 1.00 0.00 H new ATOM 0 HA ASN B 23 5.904 5.165 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.030 5.764 -11.391 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.687 4.644 -11.273 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.182 8.315 -9.433 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.765 7.533 -9.363 1.00 0.00 H new ATOM 1302 N SER B 24 4.311 6.050 -7.553 1.00 0.00 N ATOM 1303 CA SER B 24 3.572 6.336 -6.326 1.00 0.00 C ATOM 1304 C SER B 24 2.075 6.294 -6.613 1.00 0.00 C ATOM 1305 O SER B 24 1.305 5.688 -5.872 1.00 0.00 O ATOM 1306 CB SER B 24 3.960 7.726 -5.806 1.00 0.00 C ATOM 1307 OG SER B 24 3.660 8.702 -6.798 1.00 0.00 O ATOM 0 H SER B 24 4.969 6.776 -7.835 1.00 0.00 H new ATOM 0 HA SER B 24 3.816 5.588 -5.571 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.418 7.947 -4.887 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.022 7.752 -5.564 1.00 0.00 H new ATOM 0 HG SER B 24 4.297 9.444 -6.730 1.00 0.00 H new ATOM 1313 N LEU B 25 1.696 6.921 -7.724 1.00 0.00 N ATOM 1314 CA LEU B 25 0.311 6.957 -8.165 1.00 0.00 C ATOM 1315 C LEU B 25 -0.153 5.592 -8.669 1.00 0.00 C ATOM 1316 O LEU B 25 -1.306 5.217 -8.459 1.00 0.00 O ATOM 1317 CB LEU B 25 0.132 8.011 -9.271 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.726 9.162 -8.773 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.914 10.196 -9.890 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.079 8.609 -8.337 1.00 0.00 C ATOM 0 H LEU B 25 2.341 7.416 -8.340 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.303 7.226 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.106 8.385 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.332 7.555 -10.145 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.239 9.650 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.530 11.018 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.059 10.580 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.404 9.726 -10.742 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.706 9.424 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.564 8.125 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.935 7.882 -7.538 1.00 0.00 H new ATOM 1332 N GLN B 26 0.743 4.850 -9.332 1.00 0.00 N ATOM 1333 CA GLN B 26 0.393 3.533 -9.849 1.00 0.00 C ATOM 1334 C GLN B 26 0.065 2.602 -8.701 1.00 0.00 C ATOM 1335 O GLN B 26 -0.906 1.849 -8.751 1.00 0.00 O ATOM 1336 CB GLN B 26 1.564 2.949 -10.633 1.00 0.00 C ATOM 1337 CG GLN B 26 1.645 3.561 -12.036 1.00 0.00 C ATOM 1338 CD GLN B 26 2.820 2.953 -12.795 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.606 2.104 -12.192 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.030 3.262 -13.967 1.00 0.00 N flip ATOM 0 H GLN B 26 1.703 5.140 -9.519 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.472 3.636 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.494 3.135 -10.097 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.452 1.868 -10.710 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.717 3.378 -12.577 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.765 4.642 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.415 3.926 -14.437 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.819 2.854 -14.468 1.00 0.00 H new ATOM 1349 N VAL B 27 0.881 2.686 -7.661 1.00 0.00 N ATOM 1350 CA VAL B 27 0.690 1.874 -6.478 1.00 0.00 C ATOM 1351 C VAL B 27 -0.630 2.239 -5.845 1.00 0.00 C ATOM 1352 O VAL B 27 -1.406 1.366 -5.495 1.00 0.00 O ATOM 1353 CB VAL B 27 1.860 2.073 -5.511 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.610 1.304 -4.204 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.132 1.546 -6.185 1.00 0.00 C ATOM 0 H VAL B 27 1.684 3.313 -7.617 1.00 0.00 H new ATOM 0 HA VAL B 27 0.666 0.817 -6.743 1.00 0.00 H new ATOM 0 HB VAL B 27 1.966 3.131 -5.271 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.450 1.455 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.696 1.670 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.506 0.241 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.981 1.677 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.011 0.487 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.310 2.098 -7.108 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.899 3.535 -5.765 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.158 4.009 -5.236 1.00 0.00 C ATOM 1367 C VAL B 28 -3.291 3.495 -6.127 1.00 0.00 C ATOM 1368 O VAL B 28 -4.366 3.169 -5.644 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.164 5.542 -5.189 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.519 6.033 -4.670 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.039 6.041 -4.263 1.00 0.00 C ATOM 0 H VAL B 28 -0.259 4.272 -6.061 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.298 3.638 -4.221 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.998 5.934 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.523 7.122 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.310 5.687 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.689 5.639 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.048 7.131 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.195 5.650 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.077 5.696 -4.641 1.00 0.00 H new ATOM 1381 N ALA B 29 -3.017 3.407 -7.432 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.994 2.910 -8.395 1.00 0.00 C ATOM 1383 C ALA B 29 -4.353 1.479 -8.039 1.00 0.00 C ATOM 1384 O ALA B 29 -5.523 1.091 -8.033 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.386 2.952 -9.807 1.00 0.00 C ATOM 0 H ALA B 29 -2.123 3.675 -7.843 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.889 3.531 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.114 2.581 -10.528 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -3.118 3.978 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.494 2.326 -9.838 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.315 0.713 -7.732 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.453 -0.665 -7.359 1.00 0.00 C ATOM 1393 C PHE B 30 -4.057 -0.785 -5.956 1.00 0.00 C ATOM 1394 O PHE B 30 -4.957 -1.590 -5.736 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.067 -1.318 -7.458 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.584 -1.277 -8.904 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.440 -1.664 -9.955 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.286 -0.819 -9.205 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.999 -1.590 -11.272 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.142 -0.756 -10.525 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.713 -1.139 -11.560 1.00 0.00 C ATOM 0 H PHE B 30 -2.351 1.045 -7.739 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.139 -1.183 -8.029 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.361 -0.795 -6.813 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.114 -2.349 -7.109 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.437 -2.018 -9.738 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.377 -0.516 -8.408 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.657 -1.884 -12.076 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.140 -0.410 -10.751 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.377 -1.086 -12.585 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.610 0.056 -5.022 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.171 0.037 -3.670 1.00 0.00 C ATOM 1413 C ILE B 31 -5.655 0.360 -3.764 1.00 0.00 C ATOM 1414 O ILE B 31 -6.499 -0.295 -3.161 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.442 1.052 -2.774 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.975 0.629 -2.589 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.110 1.115 -1.397 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.184 1.805 -2.017 1.00 0.00 C ATOM 0 H ILE B 31 -2.875 0.747 -5.172 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.040 -0.948 -3.222 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.490 2.031 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.912 -0.228 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.550 0.319 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.586 1.837 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.150 1.421 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.071 0.132 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.143 1.512 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.238 2.649 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.606 2.094 -1.055 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.955 1.363 -4.569 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.324 1.772 -4.809 1.00 0.00 C ATOM 1432 C ASN B 32 -8.112 0.644 -5.493 1.00 0.00 C ATOM 1433 O ASN B 32 -9.324 0.536 -5.308 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.329 3.028 -5.683 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.716 3.661 -5.733 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.582 3.365 -4.909 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.966 4.529 -6.663 1.00 0.00 N ATOM 0 H ASN B 32 -5.259 1.914 -5.072 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.805 1.991 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.611 3.749 -5.292 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.006 2.773 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.884 4.971 -6.715 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.245 4.770 -7.343 1.00 0.00 H new ATOM 1444 N SER B 33 -7.414 -0.204 -6.276 1.00 0.00 N ATOM 1445 CA SER B 33 -8.060 -1.310 -6.961 1.00 0.00 C ATOM 1446 C SER B 33 -8.287 -2.445 -5.968 1.00 0.00 C ATOM 1447 O SER B 33 -9.277 -3.172 -6.055 1.00 0.00 O ATOM 1448 CB SER B 33 -7.236 -1.739 -8.171 1.00 0.00 C ATOM 1449 OG SER B 33 -7.512 -0.864 -9.256 1.00 0.00 O ATOM 0 H SER B 33 -6.410 -0.134 -6.440 1.00 0.00 H new ATOM 0 HA SER B 33 -9.033 -1.003 -7.344 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.173 -1.715 -7.930 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.478 -2.766 -8.445 1.00 0.00 H new ATOM 0 HG SER B 33 -6.980 -0.047 -9.161 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.398 -2.535 -4.972 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.555 -3.516 -3.901 1.00 0.00 C ATOM 1457 C LEU B 34 -8.843 -3.141 -3.191 1.00 0.00 C ATOM 1458 O LEU B 34 -9.731 -3.963 -2.955 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.343 -3.434 -2.957 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.129 -4.046 -3.663 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.809 -3.566 -3.059 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.218 -5.540 -3.523 1.00 0.00 C ATOM 0 H LEU B 34 -6.571 -1.944 -4.888 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.604 -4.541 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.142 -2.397 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.550 -3.968 -2.029 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.142 -3.737 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.977 -4.026 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.741 -2.482 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.767 -3.848 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.364 -6.003 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.214 -5.807 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.140 -5.894 -3.983 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.928 -1.845 -2.947 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.110 -1.205 -2.353 1.00 0.00 C ATOM 1476 C ARG B 35 -11.344 -1.479 -3.210 1.00 0.00 C ATOM 1477 O ARG B 35 -12.413 -1.804 -2.692 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.877 0.317 -2.324 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.971 0.881 -0.899 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.711 1.695 -0.577 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.443 1.673 0.855 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.284 2.226 1.720 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.252 1.517 2.225 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.139 3.473 2.066 1.00 0.00 N ATOM 0 H ARG B 35 -8.173 -1.191 -3.155 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.266 -1.601 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.895 0.542 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.613 0.810 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.856 1.511 -0.805 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.082 0.067 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.858 1.286 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.839 2.724 -0.913 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.594 1.225 1.199 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.362 0.539 1.956 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -10.900 1.939 2.890 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.378 4.026 1.672 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.786 3.896 2.731 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.174 -1.325 -4.527 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.263 -1.536 -5.478 1.00 0.00 C ATOM 1500 C ASP B 36 -12.852 -2.934 -5.325 1.00 0.00 C ATOM 1501 O ASP B 36 -14.070 -3.108 -5.375 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.742 -1.339 -6.910 1.00 0.00 C ATOM 1503 CG ASP B 36 -12.898 -1.399 -7.908 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.570 -0.395 -8.069 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.092 -2.452 -8.495 1.00 0.00 O ATOM 0 H ASP B 36 -10.289 -1.054 -4.957 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.050 -0.810 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.233 -0.379 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.008 -2.109 -7.146 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.974 -3.916 -5.118 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.398 -5.307 -4.940 1.00 0.00 C ATOM 1512 C ASP B 37 -11.273 -6.138 -4.331 1.00 0.00 C ATOM 1513 O ASP B 37 -10.270 -6.419 -4.994 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.813 -5.931 -6.283 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.247 -5.548 -6.647 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.147 -5.933 -5.917 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.425 -4.882 -7.653 1.00 0.00 O ATOM 0 H ASP B 37 -10.965 -3.775 -5.069 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.255 -5.306 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.134 -5.598 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.726 -7.016 -6.226 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.431 -6.552 -3.093 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.415 -7.386 -2.403 1.00 0.00 C ATOM 1524 C PRO B 38 -10.286 -8.770 -3.040 1.00 0.00 C ATOM 1525 O PRO B 38 -9.261 -9.438 -2.895 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.905 -7.503 -0.960 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.179 -6.728 -0.841 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.591 -6.267 -2.234 1.00 0.00 C ATOM 0 HA PRO B 38 -9.425 -6.935 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.068 -8.548 -0.696 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.156 -7.114 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.960 -7.347 -0.399 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.042 -5.870 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.477 -6.800 -2.579 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.835 -5.205 -2.241 1.00 0.00 H new ATOM 1536 N SER B 39 -11.333 -9.186 -3.753 1.00 0.00 N ATOM 1537 CA SER B 39 -11.335 -10.479 -4.421 1.00 0.00 C ATOM 1538 C SER B 39 -10.264 -10.489 -5.498 1.00 0.00 C ATOM 1539 O SER B 39 -9.595 -11.501 -5.717 1.00 0.00 O ATOM 1540 CB SER B 39 -12.705 -10.743 -5.049 1.00 0.00 C ATOM 1541 OG SER B 39 -13.712 -10.608 -4.053 1.00 0.00 O ATOM 0 H SER B 39 -12.188 -8.644 -3.880 1.00 0.00 H new ATOM 0 HA SER B 39 -11.126 -11.262 -3.692 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.886 -10.041 -5.863 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.734 -11.744 -5.479 1.00 0.00 H new ATOM 0 HG SER B 39 -14.591 -10.775 -4.452 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.111 -9.340 -6.160 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.123 -9.193 -7.213 1.00 0.00 C ATOM 1549 C GLN B 40 -7.863 -8.531 -6.684 1.00 0.00 C ATOM 1550 O GLN B 40 -7.111 -7.939 -7.455 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.678 -8.393 -8.407 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.213 -8.327 -8.374 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.716 -7.352 -9.433 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.617 -7.676 -10.205 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -11.175 -6.170 -9.513 1.00 0.00 N ATOM 0 H GLN B 40 -10.663 -8.501 -5.980 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.875 -10.195 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.269 -7.383 -8.392 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.352 -8.855 -9.339 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.632 -9.318 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.550 -8.011 -7.387 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.428 -5.906 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.498 -5.508 -10.218 1.00 0.00 H new ATOM 1564 N SER B 41 -7.613 -8.635 -5.372 1.00 0.00 N ATOM 1565 CA SER B 41 -6.415 -8.037 -4.813 1.00 0.00 C ATOM 1566 C SER B 41 -5.197 -8.564 -5.549 1.00 0.00 C ATOM 1567 O SER B 41 -4.230 -7.845 -5.775 1.00 0.00 O ATOM 1568 CB SER B 41 -6.289 -8.371 -3.323 1.00 0.00 C ATOM 1569 OG SER B 41 -7.312 -7.713 -2.595 1.00 0.00 O ATOM 0 H SER B 41 -8.212 -9.116 -4.701 1.00 0.00 H new ATOM 0 HA SER B 41 -6.481 -6.955 -4.926 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.360 -9.449 -3.175 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.311 -8.063 -2.953 1.00 0.00 H new ATOM 0 HG SER B 41 -7.963 -8.373 -2.276 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.289 -9.824 -5.935 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.236 -10.490 -6.676 1.00 0.00 C ATOM 1577 C ALA B 42 -4.190 -9.985 -8.117 1.00 0.00 C ATOM 1578 O ALA B 42 -3.154 -10.055 -8.768 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.524 -11.988 -6.684 1.00 0.00 C ATOM 0 H ALA B 42 -6.098 -10.414 -5.742 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.277 -10.282 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.741 -12.506 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.550 -12.359 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.487 -12.171 -7.161 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.348 -9.520 -8.603 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.501 -9.041 -9.972 1.00 0.00 C ATOM 1587 C ASN B 43 -4.808 -7.726 -10.231 1.00 0.00 C ATOM 1588 O ASN B 43 -4.009 -7.612 -11.153 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.966 -8.827 -10.230 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.255 -8.822 -11.728 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.877 -7.806 -12.453 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.830 -9.775 -12.254 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.205 -9.468 -8.052 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.052 -9.791 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.544 -9.614 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.283 -7.882 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.125 -10.569 -11.686 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.011 -9.770 -13.258 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.129 -6.724 -9.418 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.530 -5.435 -9.589 1.00 0.00 C ATOM 1601 C LEU B 44 -3.095 -5.527 -9.100 1.00 0.00 C ATOM 1602 O LEU B 44 -2.203 -4.848 -9.601 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.407 -4.301 -8.980 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.371 -4.191 -7.455 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.113 -5.342 -6.827 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -3.951 -4.111 -6.950 1.00 0.00 C ATOM 0 H LEU B 44 -5.794 -6.793 -8.648 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.484 -5.142 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.086 -3.349 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.440 -4.456 -9.292 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.872 -3.267 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.078 -5.249 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.151 -5.330 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.648 -6.281 -7.126 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.955 -4.033 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.408 -5.008 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.463 -3.234 -7.374 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.874 -6.455 -8.163 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.540 -6.729 -7.684 1.00 0.00 C ATOM 1620 C LEU B 45 -0.794 -7.308 -8.861 1.00 0.00 C ATOM 1621 O LEU B 45 0.374 -7.029 -9.097 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.566 -7.759 -6.548 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.181 -8.400 -6.393 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.855 -7.313 -6.121 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.195 -9.423 -5.249 1.00 0.00 C ATOM 0 H LEU B 45 -3.606 -7.020 -7.731 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.073 -5.824 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.860 -7.277 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.310 -8.527 -6.759 1.00 0.00 H new ATOM 0 HG LEU B 45 0.080 -8.920 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.839 -7.768 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.872 -6.610 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.595 -6.784 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.794 -9.871 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.463 -8.924 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -0.926 -10.202 -5.466 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.531 -8.109 -9.613 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.998 -8.726 -10.799 1.00 0.00 C ATOM 1639 C ALA B 46 -0.648 -7.612 -11.767 1.00 0.00 C ATOM 1640 O ALA B 46 0.437 -7.585 -12.339 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.042 -9.664 -11.425 1.00 0.00 C ATOM 0 H ALA B 46 -2.504 -8.343 -9.415 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.116 -9.321 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.626 -10.124 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.309 -10.441 -10.709 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.932 -9.093 -11.690 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.581 -6.664 -11.888 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.398 -5.499 -12.734 1.00 0.00 C ATOM 1649 C GLU B 47 -0.184 -4.713 -12.271 1.00 0.00 C ATOM 1650 O GLU B 47 0.513 -4.101 -13.074 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.621 -4.567 -12.653 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.878 -5.216 -13.234 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.593 -5.875 -14.587 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.164 -5.178 -15.493 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.795 -7.075 -14.691 1.00 0.00 O ATOM 0 H GLU B 47 -2.477 -6.689 -11.402 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.266 -5.848 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.801 -4.296 -11.613 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.409 -3.643 -13.191 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.259 -5.963 -12.537 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.657 -4.463 -13.351 1.00 0.00 H new ATOM 1662 N ALA B 48 0.040 -4.719 -10.959 1.00 0.00 N ATOM 1663 CA ALA B 48 1.144 -3.992 -10.371 1.00 0.00 C ATOM 1664 C ALA B 48 2.453 -4.683 -10.626 1.00 0.00 C ATOM 1665 O ALA B 48 3.404 -4.083 -11.097 1.00 0.00 O ATOM 1666 CB ALA B 48 0.925 -3.979 -8.878 1.00 0.00 C ATOM 0 H ALA B 48 -0.536 -5.225 -10.286 1.00 0.00 H new ATOM 0 HA ALA B 48 1.182 -2.992 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.739 -3.438 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.021 -3.487 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.899 -5.003 -8.505 1.00 0.00 H new ATOM 1672 N LYS B 49 2.472 -5.962 -10.337 1.00 0.00 N ATOM 1673 CA LYS B 49 3.649 -6.762 -10.557 1.00 0.00 C ATOM 1674 C LYS B 49 3.985 -6.703 -12.045 1.00 0.00 C ATOM 1675 O LYS B 49 5.147 -6.627 -12.430 1.00 0.00 O ATOM 1676 CB LYS B 49 3.352 -8.173 -10.066 1.00 0.00 C ATOM 1677 CG LYS B 49 3.310 -8.193 -8.533 1.00 0.00 C ATOM 1678 CD LYS B 49 2.607 -9.472 -8.057 1.00 0.00 C ATOM 1679 CE LYS B 49 3.472 -10.695 -8.353 1.00 0.00 C ATOM 1680 NZ LYS B 49 4.682 -10.679 -7.481 1.00 0.00 N ATOM 0 H LYS B 49 1.680 -6.472 -9.947 1.00 0.00 H new ATOM 0 HA LYS B 49 4.518 -6.398 -10.009 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.399 -8.515 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.116 -8.862 -10.427 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.322 -8.150 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.782 -7.315 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS B 49 2.409 -9.409 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS B 49 1.642 -9.571 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.900 -11.607 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.768 -10.698 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 5.530 -10.841 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 4.757 -9.756 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 4.604 -11.429 -6.765 1.00 0.00 H new ATOM 1694 N LYS B 50 2.925 -6.655 -12.853 1.00 0.00 N ATOM 1695 CA LYS B 50 3.035 -6.518 -14.302 1.00 0.00 C ATOM 1696 C LYS B 50 3.537 -5.130 -14.666 1.00 0.00 C ATOM 1697 O LYS B 50 4.344 -4.978 -15.573 1.00 0.00 O ATOM 1698 CB LYS B 50 1.671 -6.717 -14.956 1.00 0.00 C ATOM 1699 CG LYS B 50 1.314 -8.211 -15.025 1.00 0.00 C ATOM 1700 CD LYS B 50 -0.198 -8.383 -15.261 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.620 -7.689 -16.562 1.00 0.00 C ATOM 1702 NZ LYS B 50 -2.065 -7.947 -16.816 1.00 0.00 N ATOM 0 H LYS B 50 1.963 -6.710 -12.517 1.00 0.00 H new ATOM 0 HA LYS B 50 3.736 -7.273 -14.658 1.00 0.00 H new ATOM 0 HB2 LYS B 50 0.909 -6.182 -14.389 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.678 -6.293 -15.960 1.00 0.00 H new ATOM 0 HG2 LYS B 50 1.872 -8.690 -15.830 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.604 -8.705 -14.098 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.446 -9.443 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.753 -7.964 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.438 -6.617 -16.490 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.022 -8.059 -17.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.393 -7.345 -17.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -2.200 -8.947 -17.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.612 -7.730 -15.959 1.00 0.00 H new ATOM 1716 N LEU B 51 3.037 -4.114 -13.961 1.00 0.00 N ATOM 1717 CA LEU B 51 3.451 -2.740 -14.232 1.00 0.00 C ATOM 1718 C LEU B 51 4.896 -2.571 -13.859 1.00 0.00 C ATOM 1719 O LEU B 51 5.676 -1.958 -14.584 1.00 0.00 O ATOM 1720 CB LEU B 51 2.590 -1.744 -13.449 1.00 0.00 C ATOM 1721 CG LEU B 51 1.669 -1.002 -14.415 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.506 -0.036 -15.268 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.929 -2.013 -15.315 1.00 0.00 C ATOM 0 H LEU B 51 2.355 -4.215 -13.209 1.00 0.00 H new ATOM 0 HA LEU B 51 3.320 -2.540 -15.295 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.000 -2.268 -12.697 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.226 -1.035 -12.918 1.00 0.00 H new ATOM 0 HG LEU B 51 0.928 -0.433 -13.854 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.854 0.497 -15.960 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.009 0.681 -14.619 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.250 -0.599 -15.831 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.274 -1.477 -16.002 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.655 -2.593 -15.885 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.334 -2.684 -14.696 1.00 0.00 H new ATOM 1735 N ASN B 52 5.246 -3.167 -12.739 1.00 0.00 N ATOM 1736 CA ASN B 52 6.616 -3.142 -12.280 1.00 0.00 C ATOM 1737 C ASN B 52 7.449 -3.833 -13.331 1.00 0.00 C ATOM 1738 O ASN B 52 8.546 -3.394 -13.670 1.00 0.00 O ATOM 1739 CB ASN B 52 6.737 -3.860 -10.942 1.00 0.00 C ATOM 1740 CG ASN B 52 8.205 -4.054 -10.573 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.767 -3.294 -9.786 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.861 -5.033 -11.113 1.00 0.00 N ATOM 0 H ASN B 52 4.602 -3.673 -12.132 1.00 0.00 H new ATOM 0 HA ASN B 52 6.958 -2.118 -12.133 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.234 -3.284 -10.166 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.238 -4.828 -10.995 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.845 -5.174 -10.885 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.393 -5.662 -11.765 1.00 0.00 H new ATOM 1749 N ASP B 53 6.868 -4.902 -13.869 1.00 0.00 N ATOM 1750 CA ASP B 53 7.513 -5.655 -14.933 1.00 0.00 C ATOM 1751 C ASP B 53 7.580 -4.789 -16.190 1.00 0.00 C ATOM 1752 O ASP B 53 8.545 -4.847 -16.956 1.00 0.00 O ATOM 1753 CB ASP B 53 6.737 -6.953 -15.222 1.00 0.00 C ATOM 1754 CG ASP B 53 6.855 -7.955 -14.062 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.737 -7.795 -13.227 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.049 -8.870 -14.023 1.00 0.00 O ATOM 0 H ASP B 53 5.957 -5.262 -13.586 1.00 0.00 H new ATOM 0 HA ASP B 53 8.522 -5.925 -14.622 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.687 -6.718 -15.395 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.117 -7.408 -16.137 1.00 0.00 H new ATOM 1761 N ALA B 54 6.532 -3.985 -16.375 1.00 0.00 N ATOM 1762 CA ALA B 54 6.424 -3.086 -17.516 1.00 0.00 C ATOM 1763 C ALA B 54 7.477 -1.981 -17.445 1.00 0.00 C ATOM 1764 O ALA B 54 8.048 -1.590 -18.464 1.00 0.00 O ATOM 1765 CB ALA B 54 5.026 -2.467 -17.532 1.00 0.00 C ATOM 0 H ALA B 54 5.737 -3.941 -15.737 1.00 0.00 H new ATOM 0 HA ALA B 54 6.592 -3.656 -18.430 1.00 0.00 H new ATOM 0 HB1 ALA B 54 4.937 -1.792 -18.383 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.279 -3.257 -17.615 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.864 -1.910 -16.609 1.00 0.00 H new ATOM 1771 N GLN B 55 7.720 -1.484 -16.231 1.00 0.00 N ATOM 1772 CA GLN B 55 8.696 -0.421 -16.013 1.00 0.00 C ATOM 1773 C GLN B 55 10.080 -0.987 -15.709 1.00 0.00 C ATOM 1774 O GLN B 55 11.058 -0.240 -15.630 1.00 0.00 O ATOM 1775 CB GLN B 55 8.232 0.434 -14.852 1.00 0.00 C ATOM 1776 CG GLN B 55 6.943 1.165 -15.223 1.00 0.00 C ATOM 1777 CD GLN B 55 6.134 1.427 -13.965 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.741 0.413 -13.247 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 5.862 2.576 -13.622 1.00 0.00 N flip ATOM 0 H GLN B 55 7.252 -1.803 -15.383 1.00 0.00 H new ATOM 0 HA GLN B 55 8.772 0.175 -16.923 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.066 -0.190 -13.974 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.006 1.155 -14.589 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.176 2.106 -15.722 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.362 0.567 -15.925 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.173 3.365 -14.189 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.325 2.740 -12.770 1.00 0.00 H new ATOM 1788 N ALA B 56 10.155 -2.306 -15.535 1.00 0.00 N ATOM 1789 CA ALA B 56 11.428 -2.964 -15.232 1.00 0.00 C ATOM 1790 C ALA B 56 12.393 -2.851 -16.404 1.00 0.00 C ATOM 1791 O ALA B 56 12.012 -2.441 -17.501 1.00 0.00 O ATOM 1792 CB ALA B 56 11.212 -4.443 -14.897 1.00 0.00 C ATOM 0 H ALA B 56 9.356 -2.937 -15.598 1.00 0.00 H new ATOM 0 HA ALA B 56 11.858 -2.459 -14.367 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.172 -4.910 -14.676 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.558 -4.528 -14.029 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.752 -4.945 -15.748 1.00 0.00 H new ATOM 1798 N PRO B 57 13.637 -3.196 -16.178 1.00 0.00 N ATOM 1799 CA PRO B 57 14.697 -3.130 -17.207 1.00 0.00 C ATOM 1800 C PRO B 57 14.684 -4.360 -18.111 1.00 0.00 C ATOM 1801 O PRO B 57 13.865 -5.265 -17.937 1.00 0.00 O ATOM 1802 CB PRO B 57 15.996 -3.052 -16.383 1.00 0.00 C ATOM 1803 CG PRO B 57 15.591 -3.104 -14.942 1.00 0.00 C ATOM 1804 CD PRO B 57 14.196 -3.693 -14.920 1.00 0.00 C ATOM 0 HA PRO B 57 14.572 -2.284 -17.883 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.661 -3.880 -16.629 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.538 -2.132 -16.600 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.282 -3.718 -14.365 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.601 -2.109 -14.498 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.213 -4.782 -14.883 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.623 -3.354 -14.057 1.00 0.00 H new ATOM 1812 N LYS B 58 15.589 -4.361 -19.081 1.00 0.00 N ATOM 1813 CA LYS B 58 15.698 -5.453 -20.040 1.00 0.00 C ATOM 1814 C LYS B 58 17.154 -5.901 -20.182 1.00 0.00 C ATOM 1815 O LYS B 58 17.384 -7.099 -20.224 1.00 0.00 O ATOM 1816 CB LYS B 58 15.162 -4.981 -21.390 1.00 0.00 C ATOM 1817 CG LYS B 58 13.655 -5.285 -21.506 1.00 0.00 C ATOM 1818 CD LYS B 58 12.864 -3.982 -21.738 1.00 0.00 C ATOM 1819 CE LYS B 58 12.520 -3.314 -20.400 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.738 -4.256 -19.547 1.00 0.00 N ATOM 1821 OXT LYS B 58 18.018 -5.040 -20.250 1.00 0.00 O ATOM 0 H LYS B 58 16.264 -3.610 -19.225 1.00 0.00 H new ATOM 0 HA LYS B 58 15.114 -6.303 -19.686 1.00 0.00 H new ATOM 0 HB2 LYS B 58 15.333 -3.910 -21.502 1.00 0.00 H new ATOM 0 HB3 LYS B 58 15.703 -5.476 -22.196 1.00 0.00 H new ATOM 0 HG2 LYS B 58 13.479 -5.977 -22.329 1.00 0.00 H new ATOM 0 HG3 LYS B 58 13.305 -5.775 -20.597 1.00 0.00 H new ATOM 0 HD2 LYS B 58 13.451 -3.298 -22.352 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.949 -4.199 -22.288 1.00 0.00 H new ATOM 0 HE2 LYS B 58 13.434 -3.018 -19.886 1.00 0.00 H new ATOM 0 HE3 LYS B 58 11.944 -2.405 -20.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 11.281 -3.728 -18.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 11.011 -4.725 -20.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 12.376 -4.972 -19.145 1.00 0.00 H new TER 1835 LYS B 58