USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 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: A 83 ASN : amide:sc= -0.351 X(o=-1.4,f=-1.6) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -1.52 K(o=-1.4,f=-4.3!) USER MOD Set 1.3: A 93 THR OG1 : rot 3:sc= 0.461 USER MOD Set 2.1: A 47 THR OG1 : rot -5:sc= -0.693 USER MOD Set 2.2: A 50 THR OG1 : rot -140:sc= 0.713 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0172 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.748 F(o=-1.5,f=-0.75) USER MOD Single : A 9 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.398) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.72) USER MOD Single : A 26 GLN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -136:sc= -0.236 (180deg=-1.91!) USER MOD Single : A 32 GLN :FLIP amide:sc= 0.419 F(o=-1.4,f=0.42) USER MOD Single : A 38 GLN : amide:sc= -0.0841 X(o=-0.084,f=-0.13) USER MOD Single : A 39 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.045) USER MOD Single : A 42 SER OG : rot -12:sc= 0.552 USER MOD Single : A 43 THR OG1 : rot 100:sc= -1.26 USER MOD Single : A 45 ASN : amide:sc= -0.279 K(o=-0.28,f=-5.7!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0478 F(o=-1.1,f=-0.048) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 68:sc= 0.894 USER MOD Single : A 66 THR OG1 : rot -17:sc= 0.239 USER MOD Single : A 68 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.49) USER MOD Single : A 70 HIS : no HD1:sc= 0.285 K(o=0.29,f=-3.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.0829 X(o=0.083,f=-0.25) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 103 GLN : amide:sc= -0.438 K(o=-0.44,f=-5.5!) USER MOD Single : A 107 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.0011) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.850 -24.293 8.294 1.00 51.43 N ATOM 2 CA GLY A 1 5.385 -24.050 8.230 1.00 34.54 C ATOM 3 C GLY A 1 4.871 -23.962 6.801 1.00 45.41 C ATOM 4 O GLY A 1 5.402 -24.630 5.905 1.00 55.13 O ATOM 0 H1 GLY A 1 7.064 -24.914 9.100 1.00 51.43 H new ATOM 0 H2 GLY A 1 7.165 -24.748 7.413 1.00 51.43 H new ATOM 0 H3 GLY A 1 7.347 -23.387 8.413 1.00 51.43 H new ATOM 0 HA2 GLY A 1 4.864 -24.853 8.751 1.00 34.54 H new ATOM 0 HA3 GLY A 1 5.150 -23.124 8.755 1.00 34.54 H new ATOM 10 N THR A 2 3.822 -23.148 6.589 1.00 51.10 N ATOM 11 CA THR A 2 3.208 -22.959 5.269 1.00 34.24 C ATOM 12 C THR A 2 4.107 -22.081 4.372 1.00 63.44 C ATOM 13 O THR A 2 4.256 -20.880 4.623 1.00 13.35 O ATOM 14 CB THR A 2 1.792 -22.300 5.412 1.00 3.11 C ATOM 15 OG1 THR A 2 0.969 -23.105 6.272 1.00 3.10 O ATOM 16 CG2 THR A 2 1.082 -22.123 4.051 1.00 74.43 C ATOM 0 H THR A 2 3.378 -22.604 7.329 1.00 51.10 H new ATOM 0 HA THR A 2 3.097 -23.938 4.803 1.00 34.24 H new ATOM 0 HB THR A 2 1.940 -21.308 5.840 1.00 3.11 H new ATOM 0 HG1 THR A 2 0.086 -22.690 6.361 1.00 3.10 H new ATOM 0 HG21 THR A 2 0.106 -21.663 4.207 1.00 74.43 H new ATOM 0 HG22 THR A 2 1.686 -21.484 3.406 1.00 74.43 H new ATOM 0 HG23 THR A 2 0.953 -23.097 3.579 1.00 74.43 H new ATOM 24 N ILE A 3 4.742 -22.695 3.357 1.00 2.02 N ATOM 25 CA ILE A 3 5.417 -21.956 2.283 1.00 74.22 C ATOM 26 C ILE A 3 4.355 -21.621 1.218 1.00 1.21 C ATOM 27 O ILE A 3 4.057 -22.436 0.334 1.00 61.11 O ATOM 28 CB ILE A 3 6.628 -22.769 1.684 1.00 25.44 C ATOM 29 CG1 ILE A 3 7.631 -23.158 2.822 1.00 3.31 C ATOM 30 CG2 ILE A 3 7.343 -21.984 0.552 1.00 11.33 C ATOM 31 CD1 ILE A 3 8.801 -24.022 2.386 1.00 11.35 C ATOM 0 H ILE A 3 4.800 -23.709 3.261 1.00 2.02 H new ATOM 0 HA ILE A 3 5.854 -21.037 2.672 1.00 74.22 H new ATOM 0 HB ILE A 3 6.234 -23.682 1.238 1.00 25.44 H new ATOM 0 HG12 ILE A 3 8.022 -22.243 3.268 1.00 3.31 H new ATOM 0 HG13 ILE A 3 7.083 -23.684 3.603 1.00 3.31 H new ATOM 0 HG21 ILE A 3 8.171 -22.577 0.165 1.00 11.33 H new ATOM 0 HG22 ILE A 3 6.636 -21.780 -0.252 1.00 11.33 H new ATOM 0 HG23 ILE A 3 7.724 -21.042 0.947 1.00 11.33 H new ATOM 0 HD11 ILE A 3 9.436 -24.236 3.246 1.00 11.35 H new ATOM 0 HD12 ILE A 3 8.427 -24.957 1.970 1.00 11.35 H new ATOM 0 HD13 ILE A 3 9.381 -23.494 1.629 1.00 11.35 H new ATOM 43 N ASP A 4 3.723 -20.445 1.389 1.00 2.21 N ATOM 44 CA ASP A 4 2.615 -19.974 0.533 1.00 74.04 C ATOM 45 C ASP A 4 3.115 -19.710 -0.900 1.00 52.54 C ATOM 46 O ASP A 4 3.853 -18.751 -1.143 1.00 63.51 O ATOM 47 CB ASP A 4 1.981 -18.701 1.154 1.00 30.24 C ATOM 48 CG ASP A 4 0.738 -18.188 0.402 1.00 41.53 C ATOM 49 OD1 ASP A 4 -0.380 -18.657 0.689 1.00 2.14 O ATOM 50 OD2 ASP A 4 0.874 -17.311 -0.466 1.00 2.12 O1- ATOM 0 H ASP A 4 3.968 -19.789 2.131 1.00 2.21 H new ATOM 0 HA ASP A 4 1.849 -20.748 0.476 1.00 74.04 H new ATOM 0 HB2 ASP A 4 1.706 -18.912 2.187 1.00 30.24 H new ATOM 0 HB3 ASP A 4 2.730 -17.910 1.179 1.00 30.24 H new ATOM 55 N TYR A 5 2.715 -20.579 -1.833 1.00 4.55 N ATOM 56 CA TYR A 5 3.129 -20.496 -3.248 1.00 5.31 C ATOM 57 C TYR A 5 2.411 -19.353 -3.992 1.00 15.04 C ATOM 58 O TYR A 5 2.862 -18.916 -5.048 1.00 45.12 O ATOM 59 CB TYR A 5 2.869 -21.849 -3.952 1.00 62.24 C ATOM 60 CG TYR A 5 3.507 -23.050 -3.237 1.00 23.34 C ATOM 61 CD1 TYR A 5 2.723 -24.052 -2.652 1.00 71.43 C ATOM 62 CD2 TYR A 5 4.896 -23.176 -3.137 1.00 11.12 C ATOM 63 CE1 TYR A 5 3.300 -25.126 -1.998 1.00 53.32 C ATOM 64 CE2 TYR A 5 5.472 -24.252 -2.484 1.00 41.10 C ATOM 65 CZ TYR A 5 4.672 -25.223 -1.917 1.00 65.24 C ATOM 66 OH TYR A 5 5.248 -26.299 -1.267 1.00 31.13 O ATOM 0 H TYR A 5 2.094 -21.363 -1.634 1.00 4.55 H new ATOM 0 HA TYR A 5 4.196 -20.275 -3.272 1.00 5.31 H new ATOM 0 HB2 TYR A 5 1.793 -22.010 -4.024 1.00 62.24 H new ATOM 0 HB3 TYR A 5 3.253 -21.798 -4.971 1.00 62.24 H new ATOM 0 HD1 TYR A 5 1.647 -23.985 -2.713 1.00 71.43 H new ATOM 0 HD2 TYR A 5 5.530 -22.421 -3.577 1.00 11.12 H new ATOM 0 HE1 TYR A 5 2.676 -25.887 -1.552 1.00 53.32 H new ATOM 0 HE2 TYR A 5 6.547 -24.332 -2.418 1.00 41.10 H new ATOM 0 HH TYR A 5 6.224 -26.217 -1.301 1.00 31.13 H new ATOM 76 N GLN A 6 1.306 -18.866 -3.403 1.00 65.12 N ATOM 77 CA GLN A 6 0.482 -17.782 -3.966 1.00 24.12 C ATOM 78 C GLN A 6 1.197 -16.420 -3.780 1.00 21.13 C ATOM 79 O GLN A 6 0.873 -15.436 -4.453 1.00 63.22 O ATOM 80 CB GLN A 6 -0.922 -17.754 -3.279 1.00 20.04 C ATOM 81 CG GLN A 6 -1.766 -19.057 -3.399 1.00 50.32 C ATOM 82 CD GLN A 6 -1.316 -20.208 -2.473 1.00 61.04 C ATOM 83 OE1 GLN A 6 -0.428 -21.058 -2.957 1.00 22.01 O flip ATOM 84 NE2 GLN A 6 -1.769 -20.329 -1.337 1.00 73.44 N flip ATOM 0 H GLN A 6 0.955 -19.218 -2.512 1.00 65.12 H new ATOM 0 HA GLN A 6 0.343 -17.964 -5.032 1.00 24.12 H new ATOM 0 HB2 GLN A 6 -0.783 -17.531 -2.221 1.00 20.04 H new ATOM 0 HB3 GLN A 6 -1.497 -16.932 -3.705 1.00 20.04 H new ATOM 0 HG2 GLN A 6 -2.807 -18.820 -3.181 1.00 50.32 H new ATOM 0 HG3 GLN A 6 -1.728 -19.404 -4.432 1.00 50.32 H new ATOM 0 HE21 GLN A 6 -2.454 -19.659 -0.987 1.00 73.44 H new ATOM 0 HE22 GLN A 6 -1.460 -21.099 -0.744 1.00 73.44 H new ATOM 93 N ALA A 7 2.166 -16.397 -2.840 1.00 21.30 N ATOM 94 CA ALA A 7 2.997 -15.220 -2.523 1.00 62.55 C ATOM 95 C ALA A 7 4.023 -14.912 -3.622 1.00 53.33 C ATOM 96 O ALA A 7 4.576 -13.814 -3.638 1.00 63.03 O ATOM 97 CB ALA A 7 3.704 -15.449 -1.185 1.00 33.14 C ATOM 0 H ALA A 7 2.395 -17.212 -2.271 1.00 21.30 H new ATOM 0 HA ALA A 7 2.339 -14.354 -2.457 1.00 62.55 H new ATOM 0 HB1 ALA A 7 4.320 -14.582 -0.946 1.00 33.14 H new ATOM 0 HB2 ALA A 7 2.961 -15.594 -0.401 1.00 33.14 H new ATOM 0 HB3 ALA A 7 4.336 -16.335 -1.254 1.00 33.14 H new ATOM 103 N LEU A 8 4.281 -15.901 -4.508 1.00 34.02 N ATOM 104 CA LEU A 8 5.234 -15.783 -5.637 1.00 65.30 C ATOM 105 C LEU A 8 4.822 -14.591 -6.524 1.00 23.11 C ATOM 106 O LEU A 8 3.720 -14.583 -7.083 1.00 53.31 O ATOM 107 CB LEU A 8 5.256 -17.128 -6.443 1.00 72.24 C ATOM 108 CG LEU A 8 6.518 -17.457 -7.332 1.00 11.23 C ATOM 109 CD1 LEU A 8 6.460 -18.927 -7.813 1.00 22.14 C ATOM 110 CD2 LEU A 8 6.695 -16.496 -8.538 1.00 22.12 C ATOM 0 H LEU A 8 3.829 -16.814 -4.459 1.00 34.02 H new ATOM 0 HA LEU A 8 6.243 -15.598 -5.268 1.00 65.30 H new ATOM 0 HB2 LEU A 8 5.132 -17.943 -5.730 1.00 72.24 H new ATOM 0 HB3 LEU A 8 4.381 -17.138 -7.094 1.00 72.24 H new ATOM 0 HG LEU A 8 7.392 -17.309 -6.698 1.00 11.23 H new ATOM 0 HD11 LEU A 8 7.335 -19.144 -8.426 1.00 22.14 H new ATOM 0 HD12 LEU A 8 6.447 -19.592 -6.950 1.00 22.14 H new ATOM 0 HD13 LEU A 8 5.557 -19.081 -8.403 1.00 22.14 H new ATOM 0 HD21 LEU A 8 7.582 -16.782 -9.104 1.00 22.12 H new ATOM 0 HD22 LEU A 8 5.818 -16.556 -9.183 1.00 22.12 H new ATOM 0 HD23 LEU A 8 6.810 -15.474 -8.175 1.00 22.12 H new ATOM 122 N LYS A 9 5.719 -13.596 -6.634 1.00 40.52 N ATOM 123 CA LYS A 9 5.448 -12.326 -7.341 1.00 2.42 C ATOM 124 C LYS A 9 5.541 -12.569 -8.861 1.00 50.43 C ATOM 125 O LYS A 9 6.593 -12.360 -9.475 1.00 54.13 O ATOM 126 CB LYS A 9 6.421 -11.171 -6.887 1.00 70.43 C ATOM 127 CG LYS A 9 6.333 -10.768 -5.389 1.00 43.34 C ATOM 128 CD LYS A 9 6.951 -11.812 -4.431 1.00 71.24 C ATOM 129 CE LYS A 9 6.656 -11.518 -2.955 1.00 32.32 C ATOM 130 NZ LYS A 9 7.095 -12.643 -2.079 1.00 54.30 N1+ ATOM 0 H LYS A 9 6.656 -13.647 -6.235 1.00 40.52 H new ATOM 0 HA LYS A 9 4.442 -11.994 -7.084 1.00 2.42 H new ATOM 0 HB2 LYS A 9 7.445 -11.477 -7.103 1.00 70.43 H new ATOM 0 HB3 LYS A 9 6.217 -10.289 -7.494 1.00 70.43 H new ATOM 0 HG2 LYS A 9 6.839 -9.813 -5.248 1.00 43.34 H new ATOM 0 HG3 LYS A 9 5.287 -10.617 -5.123 1.00 43.34 H new ATOM 0 HD2 LYS A 9 6.567 -12.801 -4.683 1.00 71.24 H new ATOM 0 HD3 LYS A 9 8.030 -11.841 -4.581 1.00 71.24 H new ATOM 0 HE2 LYS A 9 7.165 -10.602 -2.656 1.00 32.32 H new ATOM 0 HE3 LYS A 9 5.588 -11.347 -2.823 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 6.442 -12.731 -1.274 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 7.094 -13.529 -2.624 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 8.055 -12.455 -1.727 1.00 54.30 H new ATOM 144 N ARG A 10 4.432 -13.072 -9.445 1.00 13.13 N ATOM 145 CA ARG A 10 4.354 -13.401 -10.876 1.00 21.41 C ATOM 146 C ARG A 10 3.133 -12.701 -11.494 1.00 14.23 C ATOM 147 O ARG A 10 1.999 -13.184 -11.378 1.00 22.01 O ATOM 148 CB ARG A 10 4.287 -14.948 -11.104 1.00 1.43 C ATOM 149 CG ARG A 10 4.591 -15.396 -12.562 1.00 22.01 C ATOM 150 CD ARG A 10 6.103 -15.458 -12.882 1.00 50.22 C ATOM 151 NE ARG A 10 6.831 -14.193 -12.616 1.00 33.02 N ATOM 152 CZ ARG A 10 8.078 -14.099 -12.091 1.00 4.32 C ATOM 153 NH1 ARG A 10 8.788 -15.190 -11.778 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 8.602 -12.908 -11.864 1.00 41.04 N ATOM 0 H ARG A 10 3.569 -13.259 -8.934 1.00 13.13 H new ATOM 0 HA ARG A 10 5.259 -13.044 -11.367 1.00 21.41 H new ATOM 0 HB2 ARG A 10 4.996 -15.433 -10.433 1.00 1.43 H new ATOM 0 HB3 ARG A 10 3.293 -15.301 -10.828 1.00 1.43 H new ATOM 0 HG2 ARG A 10 4.150 -16.378 -12.732 1.00 22.01 H new ATOM 0 HG3 ARG A 10 4.108 -14.706 -13.254 1.00 22.01 H new ATOM 0 HD2 ARG A 10 6.556 -16.256 -12.293 1.00 50.22 H new ATOM 0 HD3 ARG A 10 6.231 -15.724 -13.931 1.00 50.22 H new ATOM 0 HE ARG A 10 6.354 -13.322 -12.847 1.00 33.02 H new ATOM 0 HH11 ARG A 10 8.393 -16.117 -11.933 1.00 43.13 H new ATOM 0 HH12 ARG A 10 9.724 -15.094 -11.384 1.00 43.13 H new ATOM 0 HH21 ARG A 10 8.069 -12.066 -12.083 1.00 41.04 H new ATOM 0 HH22 ARG A 10 9.539 -12.830 -11.469 1.00 41.04 H new ATOM 168 N ARG A 11 3.386 -11.534 -12.102 1.00 54.22 N ATOM 169 CA ARG A 11 2.379 -10.706 -12.773 1.00 55.52 C ATOM 170 C ARG A 11 3.100 -9.778 -13.774 1.00 15.23 C ATOM 171 O ARG A 11 4.089 -9.115 -13.414 1.00 75.23 O ATOM 172 CB ARG A 11 1.491 -9.908 -11.746 1.00 3.44 C ATOM 173 CG ARG A 11 2.188 -8.811 -10.880 1.00 32.42 C ATOM 174 CD ARG A 11 3.329 -9.330 -9.964 1.00 23.42 C ATOM 175 NE ARG A 11 3.945 -8.268 -9.139 1.00 71.12 N ATOM 176 CZ ARG A 11 4.610 -7.198 -9.599 1.00 31.10 C ATOM 177 NH1 ARG A 11 4.771 -6.984 -10.907 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 5.099 -6.331 -8.736 1.00 64.12 N ATOM 0 H ARG A 11 4.322 -11.131 -12.141 1.00 54.22 H new ATOM 0 HA ARG A 11 1.684 -11.346 -13.317 1.00 55.52 H new ATOM 0 HB2 ARG A 11 0.682 -9.433 -12.301 1.00 3.44 H new ATOM 0 HB3 ARG A 11 1.033 -10.629 -11.069 1.00 3.44 H new ATOM 0 HG2 ARG A 11 2.593 -8.048 -11.544 1.00 32.42 H new ATOM 0 HG3 ARG A 11 1.435 -8.326 -10.259 1.00 32.42 H new ATOM 0 HD2 ARG A 11 2.935 -10.107 -9.309 1.00 23.42 H new ATOM 0 HD3 ARG A 11 4.099 -9.794 -10.581 1.00 23.42 H new ATOM 0 HE ARG A 11 3.856 -8.358 -8.127 1.00 71.12 H new ATOM 0 HH11 ARG A 11 4.384 -7.642 -11.583 1.00 13.54 H new ATOM 0 HH12 ARG A 11 5.281 -6.162 -11.230 1.00 13.54 H new ATOM 0 HH21 ARG A 11 4.969 -6.479 -7.735 1.00 64.12 H new ATOM 0 HH22 ARG A 11 5.607 -5.512 -9.069 1.00 64.12 H new ATOM 192 N HIS A 12 2.616 -9.768 -15.032 1.00 0.11 N ATOM 193 CA HIS A 12 3.253 -9.038 -16.153 1.00 45.45 C ATOM 194 C HIS A 12 3.130 -7.507 -15.998 1.00 71.10 C ATOM 195 O HIS A 12 2.480 -7.007 -15.068 1.00 50.40 O ATOM 196 CB HIS A 12 2.647 -9.505 -17.508 1.00 53.54 C ATOM 197 CG HIS A 12 2.972 -10.930 -17.869 1.00 63.30 C ATOM 198 ND1 HIS A 12 2.034 -11.943 -17.910 1.00 55.01 N ATOM 199 CD2 HIS A 12 4.143 -11.502 -18.228 1.00 40.21 C ATOM 200 CE1 HIS A 12 2.616 -13.064 -18.275 1.00 70.31 C ATOM 201 NE2 HIS A 12 3.890 -12.824 -18.480 1.00 70.02 N ATOM 0 H HIS A 12 1.769 -10.267 -15.303 1.00 0.11 H new ATOM 0 HA HIS A 12 4.317 -9.273 -16.137 1.00 45.45 H new ATOM 0 HB2 HIS A 12 1.564 -9.390 -17.468 1.00 53.54 H new ATOM 0 HB3 HIS A 12 3.008 -8.849 -18.300 1.00 53.54 H new ATOM 0 HD2 HIS A 12 5.101 -11.008 -18.302 1.00 40.21 H new ATOM 0 HE1 HIS A 12 2.128 -14.021 -18.387 1.00 70.31 H new ATOM 0 HE2 HIS A 12 4.581 -13.512 -18.779 1.00 70.02 H new ATOM 210 N THR A 13 3.788 -6.781 -16.922 1.00 14.24 N ATOM 211 CA THR A 13 3.803 -5.310 -16.924 1.00 43.30 C ATOM 212 C THR A 13 2.408 -4.739 -17.293 1.00 13.51 C ATOM 213 O THR A 13 1.648 -5.395 -18.025 1.00 53.01 O ATOM 214 CB THR A 13 4.896 -4.739 -17.913 1.00 32.21 C ATOM 215 OG1 THR A 13 5.033 -3.315 -17.740 1.00 41.24 O ATOM 216 CG2 THR A 13 4.588 -5.036 -19.395 1.00 42.54 C ATOM 0 H THR A 13 4.322 -7.198 -17.685 1.00 14.24 H new ATOM 0 HA THR A 13 4.058 -4.992 -15.913 1.00 43.30 H new ATOM 0 HB THR A 13 5.827 -5.247 -17.661 1.00 32.21 H new ATOM 0 HG1 THR A 13 5.714 -2.975 -18.357 1.00 41.24 H new ATOM 0 HG21 THR A 13 5.376 -4.618 -20.021 1.00 42.54 H new ATOM 0 HG22 THR A 13 4.538 -6.114 -19.547 1.00 42.54 H new ATOM 0 HG23 THR A 13 3.633 -4.586 -19.665 1.00 42.54 H new ATOM 224 N PRO A 14 2.024 -3.540 -16.740 1.00 62.13 N ATOM 225 CA PRO A 14 0.857 -2.759 -17.215 1.00 33.22 C ATOM 226 C PRO A 14 0.839 -2.562 -18.742 1.00 23.03 C ATOM 227 O PRO A 14 1.891 -2.389 -19.369 1.00 63.22 O ATOM 228 CB PRO A 14 1.018 -1.381 -16.496 1.00 42.54 C ATOM 229 CG PRO A 14 2.373 -1.423 -15.857 1.00 51.02 C ATOM 230 CD PRO A 14 2.635 -2.876 -15.561 1.00 35.44 C ATOM 0 HA PRO A 14 -0.078 -3.273 -16.990 1.00 33.22 H new ATOM 0 HB2 PRO A 14 0.943 -0.557 -17.205 1.00 42.54 H new ATOM 0 HB3 PRO A 14 0.236 -1.233 -15.751 1.00 42.54 H new ATOM 0 HG2 PRO A 14 3.133 -1.015 -16.523 1.00 51.02 H new ATOM 0 HG3 PRO A 14 2.395 -0.827 -14.945 1.00 51.02 H new ATOM 0 HD2 PRO A 14 3.700 -3.091 -15.477 1.00 35.44 H new ATOM 0 HD3 PRO A 14 2.171 -3.193 -14.627 1.00 35.44 H new ATOM 238 N GLU A 15 -0.369 -2.583 -19.299 1.00 64.33 N ATOM 239 CA GLU A 15 -0.637 -2.281 -20.706 1.00 63.20 C ATOM 240 C GLU A 15 -2.064 -1.703 -20.785 1.00 15.13 C ATOM 241 O GLU A 15 -3.044 -2.464 -20.808 1.00 10.33 O ATOM 242 CB GLU A 15 -0.476 -3.544 -21.604 1.00 2.42 C ATOM 243 CG GLU A 15 -0.720 -3.286 -23.107 1.00 65.32 C ATOM 244 CD GLU A 15 -0.485 -4.527 -23.984 1.00 11.30 C ATOM 245 OE1 GLU A 15 -1.411 -5.365 -24.114 1.00 3.41 O ATOM 246 OE2 GLU A 15 0.621 -4.673 -24.545 1.00 0.14 O1- ATOM 0 H GLU A 15 -1.211 -2.816 -18.773 1.00 64.33 H new ATOM 0 HA GLU A 15 0.085 -1.556 -21.083 1.00 63.20 H new ATOM 0 HB2 GLU A 15 0.530 -3.943 -21.474 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -1.170 -4.311 -21.261 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -1.744 -2.939 -23.247 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -0.063 -2.483 -23.442 1.00 65.32 H new ATOM 253 N ALA A 16 -2.143 -0.352 -20.765 1.00 22.30 N ATOM 254 CA ALA A 16 -3.393 0.413 -20.614 1.00 42.55 C ATOM 255 C ALA A 16 -4.027 0.133 -19.229 1.00 52.31 C ATOM 256 O ALA A 16 -4.451 -0.989 -18.935 1.00 13.01 O ATOM 257 CB ALA A 16 -4.378 0.153 -21.774 1.00 51.43 C ATOM 0 H ALA A 16 -1.320 0.244 -20.856 1.00 22.30 H new ATOM 0 HA ALA A 16 -3.150 1.474 -20.663 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -5.285 0.738 -21.620 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -3.915 0.444 -22.717 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -4.631 -0.907 -21.806 1.00 51.43 H new ATOM 263 N GLU A 17 -4.063 1.168 -18.376 1.00 41.15 N ATOM 264 CA GLU A 17 -4.484 1.024 -16.973 1.00 5.51 C ATOM 265 C GLU A 17 -5.995 0.814 -16.885 1.00 0.03 C ATOM 266 O GLU A 17 -6.778 1.678 -17.290 1.00 14.14 O ATOM 267 CB GLU A 17 -4.068 2.247 -16.105 1.00 23.03 C ATOM 268 CG GLU A 17 -2.550 2.418 -15.887 1.00 12.31 C ATOM 269 CD GLU A 17 -1.778 2.704 -17.181 1.00 71.32 C ATOM 270 OE1 GLU A 17 -1.722 3.872 -17.606 1.00 74.35 O ATOM 271 OE2 GLU A 17 -1.230 1.763 -17.786 1.00 75.54 O1- ATOM 0 H GLU A 17 -3.804 2.120 -18.635 1.00 41.15 H new ATOM 0 HA GLU A 17 -3.972 0.147 -16.576 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -4.455 3.152 -16.573 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -4.550 2.161 -15.131 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -2.381 3.234 -15.184 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -2.152 1.513 -15.428 1.00 12.31 H new ATOM 278 N ASN A 18 -6.388 -0.356 -16.375 1.00 41.43 N ATOM 279 CA ASN A 18 -7.791 -0.666 -16.067 1.00 21.42 C ATOM 280 C ASN A 18 -7.845 -1.387 -14.696 1.00 21.22 C ATOM 281 O ASN A 18 -8.095 -2.595 -14.630 1.00 12.53 O ATOM 282 CB ASN A 18 -8.423 -1.505 -17.219 1.00 14.31 C ATOM 283 CG ASN A 18 -9.939 -1.714 -17.084 1.00 44.14 C ATOM 284 OD1 ASN A 18 -10.644 -0.915 -16.463 1.00 62.35 O ATOM 285 ND2 ASN A 18 -10.453 -2.775 -17.689 1.00 75.23 N ATOM 0 H ASN A 18 -5.743 -1.118 -16.163 1.00 41.43 H new ATOM 0 HA ASN A 18 -8.383 0.246 -15.993 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -8.218 -1.011 -18.169 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -7.935 -2.479 -17.255 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -11.457 -2.948 -17.649 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -9.844 -3.418 -18.195 1.00 75.23 H new ATOM 292 N PRO A 19 -7.567 -0.646 -13.569 1.00 2.55 N ATOM 293 CA PRO A 19 -7.487 -1.238 -12.217 1.00 60.43 C ATOM 294 C PRO A 19 -8.886 -1.533 -11.631 1.00 3.11 C ATOM 295 O PRO A 19 -9.401 -0.792 -10.785 1.00 4.23 O ATOM 296 CB PRO A 19 -6.703 -0.163 -11.428 1.00 50.32 C ATOM 297 CG PRO A 19 -7.067 1.142 -12.073 1.00 52.41 C ATOM 298 CD PRO A 19 -7.331 0.830 -13.532 1.00 3.54 C ATOM 0 HA PRO A 19 -6.999 -2.212 -12.190 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -6.977 -0.171 -10.373 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -5.629 -0.342 -11.480 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -7.948 1.577 -11.602 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -6.259 1.867 -11.969 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -8.196 1.379 -13.904 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -6.483 1.111 -14.157 1.00 3.54 H new ATOM 306 N ALA A 20 -9.493 -2.635 -12.111 1.00 23.44 N ATOM 307 CA ALA A 20 -10.900 -2.975 -11.798 1.00 32.24 C ATOM 308 C ALA A 20 -11.225 -4.458 -12.085 1.00 24.54 C ATOM 309 O ALA A 20 -12.097 -5.035 -11.428 1.00 31.11 O ATOM 310 CB ALA A 20 -11.848 -2.062 -12.606 1.00 30.20 C ATOM 0 H ALA A 20 -9.031 -3.310 -12.720 1.00 23.44 H new ATOM 0 HA ALA A 20 -11.046 -2.814 -10.730 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -12.882 -2.315 -12.373 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -11.661 -1.021 -12.344 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -11.670 -2.205 -13.672 1.00 30.20 H new ATOM 316 N GLU A 21 -10.525 -5.068 -13.062 1.00 71.04 N ATOM 317 CA GLU A 21 -10.871 -6.409 -13.584 1.00 42.43 C ATOM 318 C GLU A 21 -10.440 -7.532 -12.621 1.00 33.21 C ATOM 319 O GLU A 21 -11.285 -8.193 -12.006 1.00 34.25 O ATOM 320 CB GLU A 21 -10.235 -6.615 -14.986 1.00 70.10 C ATOM 321 CG GLU A 21 -10.603 -5.540 -16.027 1.00 53.42 C ATOM 322 CD GLU A 21 -12.121 -5.353 -16.211 1.00 53.03 C ATOM 323 OE1 GLU A 21 -12.688 -4.389 -15.654 1.00 0.41 O ATOM 324 OE2 GLU A 21 -12.748 -6.170 -16.921 1.00 65.45 O1- ATOM 0 H GLU A 21 -9.709 -4.650 -13.510 1.00 71.04 H new ATOM 0 HA GLU A 21 -11.956 -6.461 -13.672 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -9.151 -6.639 -14.877 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -10.539 -7.590 -15.368 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -10.162 -4.589 -15.727 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -10.160 -5.808 -16.986 1.00 53.42 H new ATOM 331 N ALA A 22 -9.120 -7.728 -12.505 1.00 40.12 N ATOM 332 CA ALA A 22 -8.510 -8.801 -11.692 1.00 60.20 C ATOM 333 C ALA A 22 -7.196 -8.280 -11.089 1.00 71.35 C ATOM 334 O ALA A 22 -6.229 -9.026 -10.884 1.00 20.20 O ATOM 335 CB ALA A 22 -8.286 -10.059 -12.556 1.00 41.34 C ATOM 0 H ALA A 22 -8.433 -7.141 -12.977 1.00 40.12 H new ATOM 0 HA ALA A 22 -9.177 -9.084 -10.877 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -7.836 -10.843 -11.947 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -9.242 -10.407 -12.947 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -7.621 -9.817 -13.385 1.00 41.34 H new ATOM 341 N ASP A 23 -7.235 -6.993 -10.743 1.00 72.01 N ATOM 342 CA ASP A 23 -6.049 -6.190 -10.419 1.00 31.21 C ATOM 343 C ASP A 23 -5.757 -6.154 -8.911 1.00 15.11 C ATOM 344 O ASP A 23 -4.787 -5.526 -8.497 1.00 51.35 O ATOM 345 CB ASP A 23 -6.268 -4.754 -10.958 1.00 43.22 C ATOM 346 CG ASP A 23 -6.449 -4.721 -12.484 1.00 41.14 C ATOM 347 OD1 ASP A 23 -7.572 -4.990 -12.956 1.00 20.40 O ATOM 348 OD2 ASP A 23 -5.469 -4.454 -13.209 1.00 62.31 O1- ATOM 0 H ASP A 23 -8.106 -6.467 -10.678 1.00 72.01 H new ATOM 0 HA ASP A 23 -5.181 -6.651 -10.891 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -7.147 -4.320 -10.481 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -5.416 -4.132 -10.683 1.00 43.22 H new ATOM 353 N LEU A 24 -6.591 -6.833 -8.102 1.00 70.13 N ATOM 354 CA LEU A 24 -6.442 -6.846 -6.628 1.00 15.42 C ATOM 355 C LEU A 24 -5.025 -7.355 -6.231 1.00 54.23 C ATOM 356 O LEU A 24 -4.538 -8.312 -6.825 1.00 53.50 O ATOM 357 CB LEU A 24 -7.561 -7.697 -5.956 1.00 23.13 C ATOM 358 CG LEU A 24 -8.954 -7.001 -5.778 1.00 54.24 C ATOM 359 CD1 LEU A 24 -9.572 -6.557 -7.127 1.00 23.24 C ATOM 360 CD2 LEU A 24 -9.914 -7.903 -4.963 1.00 25.41 C ATOM 0 H LEU A 24 -7.379 -7.383 -8.443 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.550 -5.825 -6.263 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -7.704 -8.601 -6.547 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -7.208 -8.011 -4.974 1.00 23.13 H new ATOM 0 HG LEU A 24 -8.793 -6.085 -5.210 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -10.536 -6.081 -6.947 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -8.904 -5.849 -7.618 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -9.712 -7.428 -7.767 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -10.876 -7.402 -4.850 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -10.056 -8.849 -5.486 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -9.486 -8.093 -3.979 1.00 25.41 H new ATOM 372 N PRO A 25 -4.328 -6.673 -5.257 1.00 3.20 N ATOM 373 CA PRO A 25 -2.905 -6.965 -4.911 1.00 15.23 C ATOM 374 C PRO A 25 -2.663 -8.446 -4.515 1.00 10.44 C ATOM 375 O PRO A 25 -3.251 -8.947 -3.548 1.00 65.24 O ATOM 376 CB PRO A 25 -2.622 -5.995 -3.730 1.00 54.21 C ATOM 377 CG PRO A 25 -3.631 -4.893 -3.892 1.00 73.12 C ATOM 378 CD PRO A 25 -4.873 -5.564 -4.423 1.00 44.30 C ATOM 0 HA PRO A 25 -2.238 -6.819 -5.761 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -2.735 -6.497 -2.769 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -1.604 -5.609 -3.770 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -3.828 -4.397 -2.941 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -3.272 -4.129 -4.581 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -5.505 -5.938 -3.617 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -5.481 -4.878 -5.012 1.00 44.30 H new ATOM 386 N GLN A 26 -1.779 -9.119 -5.277 1.00 23.25 N ATOM 387 CA GLN A 26 -1.504 -10.571 -5.166 1.00 65.11 C ATOM 388 C GLN A 26 0.014 -10.804 -5.025 1.00 1.14 C ATOM 389 O GLN A 26 0.757 -10.706 -6.009 1.00 24.32 O ATOM 390 CB GLN A 26 -2.068 -11.311 -6.424 1.00 40.32 C ATOM 391 CG GLN A 26 -3.607 -11.292 -6.541 1.00 4.01 C ATOM 392 CD GLN A 26 -4.130 -11.642 -7.937 1.00 1.43 C ATOM 393 OE1 GLN A 26 -4.369 -12.805 -8.258 1.00 43.54 O ATOM 394 NE2 GLN A 26 -4.315 -10.621 -8.771 1.00 74.32 N ATOM 0 H GLN A 26 -1.224 -8.663 -6.001 1.00 23.25 H new ATOM 0 HA GLN A 26 -1.997 -10.971 -4.280 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -1.643 -10.856 -7.319 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -1.731 -12.347 -6.402 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -4.025 -11.996 -5.821 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -3.970 -10.302 -6.266 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -4.105 -9.670 -8.468 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -4.667 -10.790 -9.713 1.00 74.32 H new ATOM 403 N GLY A 27 0.456 -11.105 -3.791 1.00 31.41 N ATOM 404 CA GLY A 27 1.880 -11.232 -3.458 1.00 21.34 C ATOM 405 C GLY A 27 2.209 -10.343 -2.272 1.00 51.41 C ATOM 406 O GLY A 27 1.496 -9.358 -2.033 1.00 3.13 O ATOM 0 H GLY A 27 -0.166 -11.266 -2.999 1.00 31.41 H new ATOM 0 HA2 GLY A 27 2.118 -12.270 -3.224 1.00 21.34 H new ATOM 0 HA3 GLY A 27 2.491 -10.951 -4.316 1.00 21.34 H new ATOM 410 N ASP A 28 3.284 -10.678 -1.527 1.00 13.12 N ATOM 411 CA ASP A 28 3.675 -9.945 -0.295 1.00 41.31 C ATOM 412 C ASP A 28 3.944 -8.457 -0.577 1.00 24.25 C ATOM 413 O ASP A 28 3.495 -7.590 0.169 1.00 13.01 O ATOM 414 CB ASP A 28 4.931 -10.571 0.377 1.00 22.33 C ATOM 415 CG ASP A 28 4.738 -12.035 0.797 1.00 52.42 C ATOM 416 OD1 ASP A 28 5.357 -12.927 0.175 1.00 1.20 O ATOM 417 OD2 ASP A 28 3.974 -12.292 1.747 1.00 45.23 O1- ATOM 0 H ASP A 28 3.903 -11.456 -1.756 1.00 13.12 H new ATOM 0 HA ASP A 28 2.830 -10.029 0.388 1.00 41.31 H new ATOM 0 HB2 ASP A 28 5.772 -10.508 -0.314 1.00 22.33 H new ATOM 0 HB3 ASP A 28 5.195 -9.982 1.255 1.00 22.33 H new ATOM 422 N ILE A 29 4.655 -8.191 -1.681 1.00 45.12 N ATOM 423 CA ILE A 29 5.096 -6.829 -2.055 1.00 72.23 C ATOM 424 C ILE A 29 3.908 -5.992 -2.543 1.00 33.44 C ATOM 425 O ILE A 29 3.818 -4.799 -2.259 1.00 40.41 O ATOM 426 CB ILE A 29 6.212 -6.884 -3.166 1.00 73.14 C ATOM 427 CG1 ILE A 29 7.385 -7.802 -2.721 1.00 61.55 C ATOM 428 CG2 ILE A 29 6.736 -5.473 -3.523 1.00 44.52 C ATOM 429 CD1 ILE A 29 8.030 -7.418 -1.392 1.00 22.02 C ATOM 0 H ILE A 29 4.944 -8.910 -2.344 1.00 45.12 H new ATOM 0 HA ILE A 29 5.516 -6.357 -1.167 1.00 72.23 H new ATOM 0 HB ILE A 29 5.758 -7.305 -4.063 1.00 73.14 H new ATOM 0 HG12 ILE A 29 7.019 -8.826 -2.649 1.00 61.55 H new ATOM 0 HG13 ILE A 29 8.151 -7.791 -3.497 1.00 61.55 H new ATOM 0 HG21 ILE A 29 7.504 -5.554 -4.292 1.00 44.52 H new ATOM 0 HG22 ILE A 29 5.913 -4.862 -3.895 1.00 44.52 H new ATOM 0 HG23 ILE A 29 7.161 -5.007 -2.634 1.00 44.52 H new ATOM 0 HD11 ILE A 29 8.837 -8.114 -1.165 1.00 22.02 H new ATOM 0 HD12 ILE A 29 8.432 -6.407 -1.461 1.00 22.02 H new ATOM 0 HD13 ILE A 29 7.282 -7.458 -0.600 1.00 22.02 H new ATOM 441 N GLU A 30 2.986 -6.654 -3.242 1.00 34.21 N ATOM 442 CA GLU A 30 1.794 -6.014 -3.804 1.00 13.43 C ATOM 443 C GLU A 30 0.855 -5.566 -2.666 1.00 61.33 C ATOM 444 O GLU A 30 0.327 -4.455 -2.692 1.00 22.24 O ATOM 445 CB GLU A 30 1.063 -6.983 -4.778 1.00 74.55 C ATOM 446 CG GLU A 30 1.811 -7.289 -6.098 1.00 75.30 C ATOM 447 CD GLU A 30 3.221 -7.906 -5.906 1.00 21.25 C ATOM 448 OE1 GLU A 30 4.239 -7.205 -6.120 1.00 53.31 O ATOM 449 OE2 GLU A 30 3.322 -9.088 -5.525 1.00 11.23 O1- ATOM 0 H GLU A 30 3.044 -7.654 -3.436 1.00 34.21 H new ATOM 0 HA GLU A 30 2.097 -5.134 -4.371 1.00 13.43 H new ATOM 0 HB2 GLU A 30 0.880 -7.923 -4.258 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.089 -6.559 -5.022 1.00 74.55 H new ATOM 0 HG2 GLU A 30 1.206 -7.973 -6.694 1.00 75.30 H new ATOM 0 HG3 GLU A 30 1.906 -6.366 -6.670 1.00 75.30 H new ATOM 456 N LYS A 31 0.680 -6.445 -1.666 1.00 42.42 N ATOM 457 CA LYS A 31 -0.160 -6.170 -0.479 1.00 20.43 C ATOM 458 C LYS A 31 0.519 -5.165 0.468 1.00 72.31 C ATOM 459 O LYS A 31 -0.159 -4.393 1.150 1.00 64.23 O ATOM 460 CB LYS A 31 -0.456 -7.492 0.266 1.00 51.54 C ATOM 461 CG LYS A 31 -1.268 -8.511 -0.560 1.00 73.43 C ATOM 462 CD LYS A 31 -1.404 -9.894 0.127 1.00 15.44 C ATOM 463 CE LYS A 31 -2.255 -9.876 1.423 1.00 1.21 C ATOM 464 NZ LYS A 31 -1.513 -9.347 2.613 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.115 -7.368 -1.653 1.00 42.42 H new ATOM 0 HA LYS A 31 -1.096 -5.726 -0.817 1.00 20.43 H new ATOM 0 HB2 LYS A 31 0.488 -7.950 0.561 1.00 51.54 H new ATOM 0 HB3 LYS A 31 -1.001 -7.266 1.182 1.00 51.54 H new ATOM 0 HG2 LYS A 31 -2.263 -8.106 -0.745 1.00 73.43 H new ATOM 0 HG3 LYS A 31 -0.791 -8.642 -1.531 1.00 73.43 H new ATOM 0 HD2 LYS A 31 -1.850 -10.596 -0.578 1.00 15.44 H new ATOM 0 HD3 LYS A 31 -0.409 -10.270 0.364 1.00 15.44 H new ATOM 0 HE2 LYS A 31 -3.143 -9.267 1.257 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -2.598 -10.888 1.638 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -1.701 -9.953 3.437 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -0.493 -9.343 2.412 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -1.830 -8.378 2.817 1.00 24.03 H new ATOM 478 N GLN A 32 1.859 -5.213 0.508 1.00 51.34 N ATOM 479 CA GLN A 32 2.686 -4.299 1.324 1.00 62.33 C ATOM 480 C GLN A 32 2.545 -2.847 0.842 1.00 21.14 C ATOM 481 O GLN A 32 2.175 -1.951 1.619 1.00 14.51 O ATOM 482 CB GLN A 32 4.173 -4.739 1.278 1.00 61.30 C ATOM 483 CG GLN A 32 5.150 -3.836 2.054 1.00 31.30 C ATOM 484 CD GLN A 32 6.575 -4.388 2.100 1.00 61.40 C ATOM 485 OE1 GLN A 32 7.292 -4.108 3.180 1.00 73.41 O flip ATOM 486 NE2 GLN A 32 7.022 -5.072 1.177 1.00 35.14 N flip ATOM 0 H GLN A 32 2.406 -5.889 -0.026 1.00 51.34 H new ATOM 0 HA GLN A 32 2.333 -4.349 2.354 1.00 62.33 H new ATOM 0 HB2 GLN A 32 4.248 -5.752 1.674 1.00 61.30 H new ATOM 0 HB3 GLN A 32 4.491 -4.780 0.236 1.00 61.30 H new ATOM 0 HG2 GLN A 32 5.165 -2.848 1.594 1.00 31.30 H new ATOM 0 HG3 GLN A 32 4.784 -3.707 3.073 1.00 31.30 H new ATOM 0 HE21 GLN A 32 6.443 -5.268 0.361 1.00 35.14 H new ATOM 0 HE22 GLN A 32 7.971 -5.442 1.230 1.00 35.14 H new ATOM 495 N VAL A 33 2.826 -2.634 -0.452 1.00 55.22 N ATOM 496 CA VAL A 33 2.752 -1.305 -1.080 1.00 63.40 C ATOM 497 C VAL A 33 1.286 -0.816 -1.114 1.00 62.45 C ATOM 498 O VAL A 33 1.027 0.375 -0.937 1.00 21.44 O ATOM 499 CB VAL A 33 3.406 -1.326 -2.518 1.00 20.12 C ATOM 500 CG1 VAL A 33 3.317 0.047 -3.225 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.879 -1.806 -2.437 1.00 32.25 C ATOM 0 H VAL A 33 3.110 -3.376 -1.092 1.00 55.22 H new ATOM 0 HA VAL A 33 3.324 -0.596 -0.482 1.00 63.40 H new ATOM 0 HB VAL A 33 2.835 -2.032 -3.121 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.780 -0.020 -4.209 1.00 14.22 H new ATOM 0 HG12 VAL A 33 2.271 0.332 -3.335 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.837 0.797 -2.629 1.00 14.22 H new ATOM 0 HG21 VAL A 33 5.314 -1.815 -3.436 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.448 -1.129 -1.799 1.00 32.25 H new ATOM 0 HG23 VAL A 33 4.911 -2.812 -2.019 1.00 32.25 H new ATOM 511 N ALA A 34 0.331 -1.766 -1.264 1.00 42.41 N ATOM 512 CA ALA A 34 -1.116 -1.478 -1.151 1.00 41.32 C ATOM 513 C ALA A 34 -1.461 -0.903 0.225 1.00 23.24 C ATOM 514 O ALA A 34 -2.173 0.097 0.329 1.00 71.30 O ATOM 515 CB ALA A 34 -1.949 -2.740 -1.399 1.00 32.45 C ATOM 0 H ALA A 34 0.541 -2.744 -1.465 1.00 42.41 H new ATOM 0 HA ALA A 34 -1.357 -0.737 -1.913 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -3.008 -2.500 -1.310 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.746 -3.119 -2.401 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.686 -3.500 -0.663 1.00 32.45 H new ATOM 521 N ALA A 35 -0.913 -1.546 1.267 1.00 65.11 N ATOM 522 CA ALA A 35 -1.155 -1.178 2.669 1.00 53.42 C ATOM 523 C ALA A 35 -0.669 0.245 2.958 1.00 23.11 C ATOM 524 O ALA A 35 -1.335 1.016 3.667 1.00 22.43 O ATOM 525 CB ALA A 35 -0.460 -2.187 3.597 1.00 13.22 C ATOM 0 H ALA A 35 -0.285 -2.342 1.159 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.229 -1.204 2.855 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -0.642 -1.911 4.636 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -0.857 -3.185 3.412 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.612 -2.182 3.402 1.00 13.22 H new ATOM 531 N LEU A 36 0.498 0.576 2.380 1.00 15.54 N ATOM 532 CA LEU A 36 1.124 1.896 2.527 1.00 31.03 C ATOM 533 C LEU A 36 0.276 2.979 1.841 1.00 71.02 C ATOM 534 O LEU A 36 0.023 4.026 2.423 1.00 43.20 O ATOM 535 CB LEU A 36 2.569 1.862 1.956 1.00 61.34 C ATOM 536 CG LEU A 36 3.547 0.881 2.673 1.00 63.04 C ATOM 537 CD1 LEU A 36 4.916 0.826 1.959 1.00 33.13 C ATOM 538 CD2 LEU A 36 3.689 1.234 4.176 1.00 1.31 C ATOM 0 H LEU A 36 1.033 -0.067 1.797 1.00 15.54 H new ATOM 0 HA LEU A 36 1.180 2.147 3.586 1.00 31.03 H new ATOM 0 HB2 LEU A 36 2.519 1.592 0.901 1.00 61.34 H new ATOM 0 HB3 LEU A 36 2.986 2.868 2.008 1.00 61.34 H new ATOM 0 HG LEU A 36 3.119 -0.120 2.615 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.573 0.133 2.485 1.00 33.13 H new ATOM 0 HD12 LEU A 36 4.778 0.487 0.932 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.365 1.819 1.955 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.377 0.534 4.651 1.00 1.31 H new ATOM 0 HD22 LEU A 36 4.076 2.248 4.277 1.00 1.31 H new ATOM 0 HD23 LEU A 36 2.714 1.169 4.659 1.00 1.31 H new ATOM 550 N TRP A 37 -0.197 2.691 0.622 1.00 54.24 N ATOM 551 CA TRP A 37 -1.032 3.637 -0.150 1.00 63.41 C ATOM 552 C TRP A 37 -2.392 3.882 0.543 1.00 52.10 C ATOM 553 O TRP A 37 -2.866 5.015 0.610 1.00 22.01 O ATOM 554 CB TRP A 37 -1.247 3.118 -1.595 1.00 51.25 C ATOM 555 CG TRP A 37 -0.023 3.163 -2.485 1.00 1.21 C ATOM 556 CD1 TRP A 37 1.294 3.149 -2.114 1.00 55.02 C ATOM 557 CD2 TRP A 37 -0.024 3.216 -3.911 1.00 50.52 C ATOM 558 NE1 TRP A 37 2.097 3.181 -3.221 1.00 24.54 N ATOM 559 CE2 TRP A 37 1.315 3.222 -4.335 1.00 12.12 C ATOM 560 CE3 TRP A 37 -1.033 3.255 -4.868 1.00 72.34 C ATOM 561 CZ2 TRP A 37 1.673 3.266 -5.673 1.00 41.23 C ATOM 562 CZ3 TRP A 37 -0.679 3.300 -6.194 1.00 70.12 C ATOM 563 CH2 TRP A 37 0.663 3.302 -6.588 1.00 52.25 C ATOM 0 H TRP A 37 -0.018 1.809 0.143 1.00 54.24 H new ATOM 0 HA TRP A 37 -0.502 4.589 -0.194 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -1.603 2.089 -1.545 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -2.037 3.706 -2.061 1.00 51.25 H new ATOM 0 HD1 TRP A 37 1.648 3.117 -1.094 1.00 55.02 H new ATOM 0 HE1 TRP A 37 3.117 3.175 -3.213 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -2.072 3.250 -4.574 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 2.709 3.272 -5.978 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -1.452 3.335 -6.947 1.00 70.12 H new ATOM 0 HH2 TRP A 37 0.904 3.333 -7.640 1.00 52.25 H new ATOM 574 N GLN A 38 -2.990 2.814 1.093 1.00 2.33 N ATOM 575 CA GLN A 38 -4.321 2.882 1.741 1.00 0.45 C ATOM 576 C GLN A 38 -4.295 3.702 3.052 1.00 42.50 C ATOM 577 O GLN A 38 -5.324 4.265 3.444 1.00 54.34 O ATOM 578 CB GLN A 38 -4.885 1.446 1.962 1.00 34.22 C ATOM 579 CG GLN A 38 -5.302 0.747 0.643 1.00 0.11 C ATOM 580 CD GLN A 38 -5.810 -0.690 0.799 1.00 4.21 C ATOM 581 OE1 GLN A 38 -6.393 -1.060 1.818 1.00 30.10 O ATOM 582 NE2 GLN A 38 -5.594 -1.512 -0.222 1.00 60.33 N ATOM 0 H GLN A 38 -2.573 1.883 1.105 1.00 2.33 H new ATOM 0 HA GLN A 38 -4.994 3.414 1.069 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -4.132 0.840 2.465 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.747 1.499 2.627 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -6.082 1.341 0.166 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -4.447 0.742 -0.033 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -5.108 -1.176 -1.053 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -5.914 -2.479 -0.175 1.00 60.33 H new ATOM 591 N GLN A 39 -3.124 3.768 3.718 1.00 42.33 N ATOM 592 CA GLN A 39 -2.940 4.576 4.950 1.00 41.25 C ATOM 593 C GLN A 39 -2.445 6.001 4.611 1.00 20.24 C ATOM 594 O GLN A 39 -3.102 6.996 4.947 1.00 61.30 O ATOM 595 CB GLN A 39 -1.948 3.869 5.912 1.00 0.45 C ATOM 596 CG GLN A 39 -2.440 2.514 6.443 1.00 74.12 C ATOM 597 CD GLN A 39 -3.708 2.606 7.301 1.00 64.34 C ATOM 598 OE1 GLN A 39 -4.829 2.523 6.799 1.00 21.00 O ATOM 599 NE2 GLN A 39 -3.533 2.777 8.600 1.00 41.43 N ATOM 0 H GLN A 39 -2.284 3.269 3.424 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.906 4.666 5.446 1.00 41.25 H new ATOM 0 HB2 GLN A 39 -1.001 3.721 5.394 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -1.749 4.527 6.758 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -2.632 1.852 5.599 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -1.646 2.056 7.033 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -2.590 2.842 8.983 1.00 41.43 H new ATOM 0 HE22 GLN A 39 -4.341 2.844 9.219 1.00 41.43 H new ATOM 608 N LEU A 40 -1.275 6.068 3.944 1.00 3.11 N ATOM 609 CA LEU A 40 -0.590 7.328 3.594 1.00 53.24 C ATOM 610 C LEU A 40 -1.481 8.249 2.728 1.00 52.00 C ATOM 611 O LEU A 40 -1.684 9.423 3.073 1.00 33.43 O ATOM 612 CB LEU A 40 0.754 7.018 2.871 1.00 74.24 C ATOM 613 CG LEU A 40 1.999 6.672 3.765 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.481 7.906 4.576 1.00 42.35 C ATOM 615 CD2 LEU A 40 1.755 5.446 4.690 1.00 42.14 C ATOM 0 H LEU A 40 -0.773 5.238 3.629 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.382 7.865 4.519 1.00 53.24 H new ATOM 0 HB2 LEU A 40 0.585 6.182 2.192 1.00 74.24 H new ATOM 0 HB3 LEU A 40 1.011 7.881 2.256 1.00 74.24 H new ATOM 0 HG LEU A 40 2.798 6.389 3.080 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.343 7.629 5.182 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.762 8.705 3.890 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.677 8.251 5.226 1.00 42.35 H new ATOM 0 HD21 LEU A 40 2.649 5.254 5.284 1.00 42.14 H new ATOM 0 HD22 LEU A 40 0.916 5.653 5.354 1.00 42.14 H new ATOM 0 HD23 LEU A 40 1.529 4.570 4.081 1.00 42.14 H new ATOM 627 N LEU A 41 -2.010 7.710 1.607 1.00 35.22 N ATOM 628 CA LEU A 41 -2.932 8.465 0.725 1.00 70.23 C ATOM 629 C LEU A 41 -4.315 8.607 1.390 1.00 33.32 C ATOM 630 O LEU A 41 -5.040 9.562 1.119 1.00 54.24 O ATOM 631 CB LEU A 41 -3.094 7.765 -0.661 1.00 41.42 C ATOM 632 CG LEU A 41 -1.796 7.545 -1.491 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.072 6.771 -2.804 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.090 8.880 -1.766 1.00 12.04 C ATOM 0 H LEU A 41 -1.816 6.760 1.291 1.00 35.22 H new ATOM 0 HA LEU A 41 -2.499 9.453 0.567 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.562 6.794 -0.499 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -3.785 8.356 -1.262 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.127 6.926 -0.893 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.139 6.640 -3.352 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.495 5.794 -2.569 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -2.776 7.333 -3.417 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.186 8.700 -2.347 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -1.757 9.536 -2.326 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -0.825 9.353 -0.820 1.00 12.04 H new ATOM 646 N SER A 42 -4.628 7.647 2.285 1.00 20.12 N ATOM 647 CA SER A 42 -5.932 7.520 2.971 1.00 20.24 C ATOM 648 C SER A 42 -7.044 7.182 1.954 1.00 22.53 C ATOM 649 O SER A 42 -7.982 7.965 1.733 1.00 31.52 O ATOM 650 CB SER A 42 -6.269 8.774 3.838 1.00 50.24 C ATOM 651 OG SER A 42 -5.202 9.077 4.721 1.00 21.51 O ATOM 0 H SER A 42 -3.965 6.921 2.558 1.00 20.12 H new ATOM 0 HA SER A 42 -5.865 6.689 3.674 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.464 9.628 3.190 1.00 50.24 H new ATOM 0 HB3 SER A 42 -7.179 8.593 4.409 1.00 50.24 H new ATOM 0 HG SER A 42 -4.571 8.327 4.742 1.00 21.51 H new ATOM 657 N THR A 43 -6.901 6.006 1.309 1.00 74.42 N ATOM 658 CA THR A 43 -7.836 5.520 0.270 1.00 15.14 C ATOM 659 C THR A 43 -8.734 4.409 0.831 1.00 0.14 C ATOM 660 O THR A 43 -8.430 3.824 1.879 1.00 71.40 O ATOM 661 CB THR A 43 -7.052 4.976 -0.982 1.00 13.14 C ATOM 662 OG1 THR A 43 -6.369 3.756 -0.662 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.021 5.992 -1.499 1.00 3.04 C ATOM 0 H THR A 43 -6.131 5.363 1.494 1.00 74.42 H new ATOM 0 HA THR A 43 -8.455 6.362 -0.039 1.00 15.14 H new ATOM 0 HB THR A 43 -7.793 4.798 -1.761 1.00 13.14 H new ATOM 0 HG1 THR A 43 -6.890 2.994 -0.989 1.00 63.00 H new ATOM 0 HG21 THR A 43 -5.503 5.577 -2.363 1.00 3.04 H new ATOM 0 HG22 THR A 43 -6.530 6.911 -1.788 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.298 6.209 -0.712 1.00 3.04 H new ATOM 671 N GLY A 44 -9.839 4.126 0.112 1.00 53.13 N ATOM 672 CA GLY A 44 -10.698 2.977 0.404 1.00 64.52 C ATOM 673 C GLY A 44 -10.016 1.667 0.028 1.00 21.32 C ATOM 674 O GLY A 44 -9.961 0.734 0.829 1.00 0.01 O ATOM 0 H GLY A 44 -10.153 4.687 -0.680 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -10.949 2.968 1.465 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.635 3.072 -0.144 1.00 64.52 H new ATOM 678 N ASN A 45 -9.461 1.630 -1.195 1.00 43.32 N ATOM 679 CA ASN A 45 -8.700 0.476 -1.712 1.00 33.54 C ATOM 680 C ASN A 45 -7.859 0.940 -2.915 1.00 32.40 C ATOM 681 O ASN A 45 -8.272 1.839 -3.659 1.00 42.11 O ATOM 682 CB ASN A 45 -9.657 -0.689 -2.139 1.00 62.20 C ATOM 683 CG ASN A 45 -8.977 -2.069 -2.316 1.00 2.21 C ATOM 684 OD1 ASN A 45 -7.778 -2.181 -2.578 1.00 4.40 O ATOM 685 ND2 ASN A 45 -9.762 -3.127 -2.223 1.00 11.40 N ATOM 0 H ASN A 45 -9.527 2.403 -1.857 1.00 43.32 H new ATOM 0 HA ASN A 45 -8.050 0.095 -0.924 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -10.445 -0.783 -1.392 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -10.139 -0.416 -3.078 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -9.379 -4.061 -2.369 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -10.752 -3.010 -2.005 1.00 11.40 H new ATOM 692 N VAL A 46 -6.678 0.330 -3.077 1.00 23.21 N ATOM 693 CA VAL A 46 -5.786 0.522 -4.239 1.00 42.32 C ATOM 694 C VAL A 46 -5.426 -0.864 -4.832 1.00 61.44 C ATOM 695 O VAL A 46 -5.171 -1.818 -4.082 1.00 22.00 O ATOM 696 CB VAL A 46 -4.477 1.322 -3.859 1.00 5.41 C ATOM 697 CG1 VAL A 46 -4.786 2.803 -3.523 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.714 0.642 -2.704 1.00 21.14 C ATOM 0 H VAL A 46 -6.303 -0.326 -2.392 1.00 23.21 H new ATOM 0 HA VAL A 46 -6.313 1.120 -4.983 1.00 42.32 H new ATOM 0 HB VAL A 46 -3.832 1.312 -4.737 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -3.860 3.319 -3.267 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -5.243 3.285 -4.388 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -5.473 2.849 -2.678 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -2.820 1.219 -2.469 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -4.355 0.592 -1.824 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -3.427 -0.367 -3.001 1.00 21.14 H new ATOM 708 N THR A 47 -5.437 -0.962 -6.173 1.00 73.01 N ATOM 709 CA THR A 47 -5.171 -2.209 -6.924 1.00 43.44 C ATOM 710 C THR A 47 -3.946 -2.025 -7.861 1.00 65.32 C ATOM 711 O THR A 47 -3.252 -1.010 -7.778 1.00 75.51 O ATOM 712 CB THR A 47 -6.456 -2.645 -7.721 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.871 -1.597 -8.605 1.00 12.41 O ATOM 714 CG2 THR A 47 -7.627 -3.016 -6.787 1.00 33.43 C ATOM 0 H THR A 47 -5.634 -0.165 -6.779 1.00 73.01 H new ATOM 0 HA THR A 47 -4.929 -3.007 -6.222 1.00 43.44 H new ATOM 0 HB THR A 47 -6.188 -3.533 -8.293 1.00 32.54 H new ATOM 0 HG1 THR A 47 -6.315 -0.804 -8.456 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.490 -3.310 -7.385 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.331 -3.845 -6.144 1.00 33.43 H new ATOM 0 HG23 THR A 47 -7.888 -2.155 -6.171 1.00 33.43 H new ATOM 722 N ARG A 48 -3.718 -3.001 -8.766 1.00 44.13 N ATOM 723 CA ARG A 48 -2.461 -3.158 -9.540 1.00 34.10 C ATOM 724 C ARG A 48 -2.100 -1.925 -10.388 1.00 73.05 C ATOM 725 O ARG A 48 -0.975 -1.424 -10.290 1.00 4.03 O ATOM 726 CB ARG A 48 -2.593 -4.404 -10.470 1.00 62.33 C ATOM 727 CG ARG A 48 -1.559 -4.518 -11.608 1.00 43.32 C ATOM 728 CD ARG A 48 -1.901 -5.609 -12.626 1.00 52.31 C ATOM 729 NE ARG A 48 -1.156 -5.403 -13.872 1.00 60.02 N ATOM 730 CZ ARG A 48 -0.922 -6.333 -14.799 1.00 75.14 C ATOM 731 NH1 ARG A 48 -1.368 -7.578 -14.656 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -0.258 -6.010 -15.893 1.00 4.42 N ATOM 0 H ARG A 48 -4.412 -3.716 -8.985 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.655 -3.283 -8.817 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -2.524 -5.300 -9.853 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -3.589 -4.397 -10.912 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -1.487 -3.560 -12.122 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -0.578 -4.724 -11.180 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -1.663 -6.589 -12.211 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -2.972 -5.601 -12.830 1.00 52.31 H new ATOM 0 HE ARG A 48 -0.785 -4.469 -14.045 1.00 60.02 H new ATOM 0 HH11 ARG A 48 -1.900 -7.837 -13.825 1.00 61.32 H new ATOM 0 HH12 ARG A 48 -1.178 -8.274 -15.377 1.00 61.32 H new ATOM 0 HH21 ARG A 48 0.073 -5.054 -16.025 1.00 4.42 H new ATOM 0 HH22 ARG A 48 -0.075 -6.716 -16.606 1.00 4.42 H new ATOM 746 N GLU A 49 -3.056 -1.434 -11.207 1.00 22.03 N ATOM 747 CA GLU A 49 -2.778 -0.335 -12.158 1.00 45.22 C ATOM 748 C GLU A 49 -3.107 1.023 -11.551 1.00 23.22 C ATOM 749 O GLU A 49 -2.956 2.045 -12.228 1.00 41.24 O ATOM 750 CB GLU A 49 -3.542 -0.504 -13.487 1.00 62.41 C ATOM 751 CG GLU A 49 -3.500 -1.911 -14.105 1.00 31.43 C ATOM 752 CD GLU A 49 -2.193 -2.247 -14.839 1.00 0.21 C ATOM 753 OE1 GLU A 49 -2.228 -2.415 -16.082 1.00 1.05 O ATOM 754 OE2 GLU A 49 -1.137 -2.378 -14.179 1.00 70.13 O1- ATOM 0 H GLU A 49 -4.016 -1.777 -11.229 1.00 22.03 H new ATOM 0 HA GLU A 49 -1.710 -0.381 -12.371 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -4.584 -0.230 -13.323 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -3.136 0.203 -14.211 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -3.657 -2.646 -13.315 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -4.330 -2.012 -14.804 1.00 31.43 H new ATOM 761 N THR A 50 -3.584 1.024 -10.290 1.00 30.42 N ATOM 762 CA THR A 50 -3.821 2.250 -9.544 1.00 25.33 C ATOM 763 C THR A 50 -2.514 3.041 -9.479 1.00 63.25 C ATOM 764 O THR A 50 -1.500 2.518 -9.008 1.00 33.52 O ATOM 765 CB THR A 50 -4.343 1.956 -8.100 1.00 55.31 C ATOM 766 OG1 THR A 50 -5.577 1.231 -8.164 1.00 31.21 O ATOM 767 CG2 THR A 50 -4.553 3.236 -7.278 1.00 50.50 C ATOM 0 H THR A 50 -3.811 0.174 -9.774 1.00 30.42 H new ATOM 0 HA THR A 50 -4.591 2.828 -10.054 1.00 25.33 H new ATOM 0 HB THR A 50 -3.578 1.362 -7.601 1.00 55.31 H new ATOM 0 HG1 THR A 50 -6.189 1.565 -7.475 1.00 31.21 H new ATOM 0 HG21 THR A 50 -4.916 2.975 -6.284 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.607 3.771 -7.190 1.00 50.50 H new ATOM 0 HG23 THR A 50 -5.285 3.872 -7.776 1.00 50.50 H new ATOM 775 N ASP A 51 -2.543 4.265 -10.012 1.00 54.25 N ATOM 776 CA ASP A 51 -1.372 5.135 -10.062 1.00 54.15 C ATOM 777 C ASP A 51 -1.390 6.052 -8.853 1.00 2.24 C ATOM 778 O ASP A 51 -2.450 6.578 -8.497 1.00 73.44 O ATOM 779 CB ASP A 51 -1.345 5.960 -11.362 1.00 63.35 C ATOM 780 CG ASP A 51 -1.471 5.104 -12.624 1.00 21.41 C ATOM 781 OD1 ASP A 51 -2.480 5.225 -13.347 1.00 73.24 O ATOM 782 OD2 ASP A 51 -0.566 4.303 -12.888 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.381 4.678 -10.421 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.472 4.520 -10.047 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -2.158 6.686 -11.341 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -0.414 6.525 -11.406 1.00 63.35 H new ATOM 787 N PHE A 52 -0.215 6.223 -8.244 1.00 15.33 N ATOM 788 CA PHE A 52 -0.024 7.021 -7.030 1.00 23.21 C ATOM 789 C PHE A 52 -0.526 8.467 -7.216 1.00 74.55 C ATOM 790 O PHE A 52 -1.362 8.966 -6.445 1.00 35.40 O ATOM 791 CB PHE A 52 1.488 7.007 -6.656 1.00 13.50 C ATOM 792 CG PHE A 52 1.814 7.699 -5.348 1.00 55.14 C ATOM 793 CD1 PHE A 52 1.781 6.995 -4.151 1.00 1.13 C ATOM 794 CD2 PHE A 52 2.134 9.055 -5.313 1.00 14.22 C ATOM 795 CE1 PHE A 52 2.060 7.624 -2.964 1.00 74.22 C ATOM 796 CE2 PHE A 52 2.413 9.679 -4.124 1.00 12.12 C ATOM 797 CZ PHE A 52 2.374 8.965 -2.951 1.00 55.42 C ATOM 0 H PHE A 52 0.648 5.802 -8.588 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.610 6.583 -6.222 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.827 5.972 -6.600 1.00 13.50 H new ATOM 0 HB3 PHE A 52 2.053 7.485 -7.457 1.00 13.50 H new ATOM 0 HD1 PHE A 52 1.534 5.944 -4.155 1.00 1.13 H new ATOM 0 HD2 PHE A 52 2.163 9.621 -6.233 1.00 14.22 H new ATOM 0 HE1 PHE A 52 2.033 7.067 -2.039 1.00 74.22 H new ATOM 0 HE2 PHE A 52 2.663 10.730 -4.110 1.00 12.12 H new ATOM 0 HZ PHE A 52 2.591 9.457 -2.014 1.00 55.42 H new ATOM 807 N PHE A 53 -0.008 9.105 -8.271 1.00 45.50 N ATOM 808 CA PHE A 53 -0.257 10.524 -8.571 1.00 72.24 C ATOM 809 C PHE A 53 -1.671 10.740 -9.148 1.00 45.11 C ATOM 810 O PHE A 53 -2.288 11.786 -8.918 1.00 52.24 O ATOM 811 CB PHE A 53 0.839 11.049 -9.530 1.00 3.44 C ATOM 812 CG PHE A 53 2.267 10.903 -8.978 1.00 60.41 C ATOM 813 CD1 PHE A 53 2.784 11.825 -8.061 1.00 22.42 C ATOM 814 CD2 PHE A 53 3.086 9.834 -9.357 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.062 11.681 -7.547 1.00 54.35 C ATOM 816 CE2 PHE A 53 4.366 9.700 -8.844 1.00 64.41 C ATOM 817 CZ PHE A 53 4.852 10.620 -7.939 1.00 3.13 C ATOM 0 H PHE A 53 0.602 8.649 -8.949 1.00 45.50 H new ATOM 0 HA PHE A 53 -0.211 11.094 -7.643 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.768 10.513 -10.476 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.648 12.100 -9.745 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.177 12.662 -7.749 1.00 22.42 H new ATOM 0 HD2 PHE A 53 2.715 9.103 -10.060 1.00 24.44 H new ATOM 0 HE1 PHE A 53 4.441 12.401 -6.837 1.00 54.35 H new ATOM 0 HE2 PHE A 53 4.986 8.872 -9.154 1.00 64.41 H new ATOM 0 HZ PHE A 53 5.849 10.510 -7.538 1.00 3.13 H new ATOM 827 N GLN A 54 -2.182 9.725 -9.874 1.00 1.01 N ATOM 828 CA GLN A 54 -3.577 9.706 -10.380 1.00 74.21 C ATOM 829 C GLN A 54 -4.573 9.626 -9.211 1.00 71.10 C ATOM 830 O GLN A 54 -5.638 10.244 -9.243 1.00 22.35 O ATOM 831 CB GLN A 54 -3.785 8.505 -11.339 1.00 70.42 C ATOM 832 CG GLN A 54 -5.214 8.327 -11.914 1.00 2.40 C ATOM 833 CD GLN A 54 -5.670 9.491 -12.798 1.00 13.42 C ATOM 834 OE1 GLN A 54 -4.862 10.119 -13.488 1.00 42.14 O ATOM 835 NE2 GLN A 54 -6.957 9.789 -12.788 1.00 41.44 N ATOM 0 H GLN A 54 -1.644 8.896 -10.127 1.00 1.01 H new ATOM 0 HA GLN A 54 -3.757 10.631 -10.929 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -3.091 8.608 -12.173 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -3.513 7.592 -10.809 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -5.250 7.405 -12.495 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -5.917 8.212 -11.089 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -7.600 9.251 -12.207 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -7.307 10.557 -13.361 1.00 41.44 H new ATOM 844 N GLN A 55 -4.185 8.872 -8.171 1.00 65.50 N ATOM 845 CA GLN A 55 -5.004 8.653 -6.960 1.00 4.31 C ATOM 846 C GLN A 55 -5.152 9.963 -6.146 1.00 22.01 C ATOM 847 O GLN A 55 -6.075 10.102 -5.329 1.00 34.43 O ATOM 848 CB GLN A 55 -4.336 7.540 -6.099 1.00 23.10 C ATOM 849 CG GLN A 55 -5.173 7.026 -4.912 1.00 62.41 C ATOM 850 CD GLN A 55 -6.486 6.333 -5.305 1.00 45.42 C ATOM 851 OE1 GLN A 55 -6.509 5.653 -6.444 1.00 53.43 O flip ATOM 852 NE2 GLN A 55 -7.468 6.393 -4.571 1.00 21.41 N flip ATOM 0 H GLN A 55 -3.286 8.391 -8.143 1.00 65.50 H new ATOM 0 HA GLN A 55 -6.006 8.338 -7.252 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.101 6.696 -6.747 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -3.390 7.921 -5.715 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -4.568 6.327 -4.334 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -5.403 7.866 -4.257 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -7.423 6.923 -3.701 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -8.329 5.913 -4.831 1.00 21.41 H new ATOM 861 N GLY A 56 -4.231 10.921 -6.393 1.00 32.24 N ATOM 862 CA GLY A 56 -4.229 12.222 -5.721 1.00 41.52 C ATOM 863 C GLY A 56 -2.999 12.446 -4.855 1.00 33.41 C ATOM 864 O GLY A 56 -2.860 13.517 -4.251 1.00 14.03 O ATOM 0 H GLY A 56 -3.472 10.806 -7.065 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -4.286 13.011 -6.471 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -5.122 12.305 -5.101 1.00 41.52 H new ATOM 868 N GLY A 57 -2.115 11.434 -4.780 1.00 3.33 N ATOM 869 CA GLY A 57 -0.865 11.551 -4.037 1.00 61.32 C ATOM 870 C GLY A 57 0.133 12.451 -4.732 1.00 54.21 C ATOM 871 O GLY A 57 0.401 12.280 -5.921 1.00 41.51 O ATOM 0 H GLY A 57 -2.252 10.528 -5.229 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -1.072 11.942 -3.041 1.00 61.32 H new ATOM 0 HA3 GLY A 57 -0.429 10.561 -3.906 1.00 61.32 H new ATOM 875 N ASP A 58 0.690 13.401 -3.980 1.00 1.54 N ATOM 876 CA ASP A 58 1.648 14.389 -4.495 1.00 52.00 C ATOM 877 C ASP A 58 3.091 13.889 -4.241 1.00 42.45 C ATOM 878 O ASP A 58 3.300 12.968 -3.438 1.00 2.52 O ATOM 879 CB ASP A 58 1.358 15.764 -3.826 1.00 33.24 C ATOM 880 CG ASP A 58 2.237 16.917 -4.345 1.00 13.43 C ATOM 881 OD1 ASP A 58 3.317 17.165 -3.768 1.00 33.43 O ATOM 882 OD2 ASP A 58 1.862 17.571 -5.345 1.00 24.25 O1- ATOM 0 H ASP A 58 0.489 13.510 -2.986 1.00 1.54 H new ATOM 0 HA ASP A 58 1.541 14.517 -5.572 1.00 52.00 H new ATOM 0 HB2 ASP A 58 0.311 16.020 -3.987 1.00 33.24 H new ATOM 0 HB3 ASP A 58 1.501 15.669 -2.750 1.00 33.24 H new ATOM 887 N SER A 59 4.070 14.509 -4.927 1.00 60.21 N ATOM 888 CA SER A 59 5.499 14.140 -4.861 1.00 54.11 C ATOM 889 C SER A 59 6.091 14.242 -3.429 1.00 51.42 C ATOM 890 O SER A 59 7.098 13.588 -3.131 1.00 32.40 O ATOM 891 CB SER A 59 6.299 15.026 -5.832 1.00 62.22 C ATOM 892 OG SER A 59 6.141 16.406 -5.530 1.00 1.02 O ATOM 0 H SER A 59 3.888 15.293 -5.553 1.00 60.21 H new ATOM 0 HA SER A 59 5.577 13.092 -5.151 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.355 14.760 -5.782 1.00 62.22 H new ATOM 0 HB3 SER A 59 5.970 14.836 -6.854 1.00 62.22 H new ATOM 0 HG SER A 59 6.663 16.941 -6.164 1.00 1.02 H new ATOM 898 N LEU A 60 5.467 15.076 -2.566 1.00 4.34 N ATOM 899 CA LEU A 60 5.860 15.226 -1.141 1.00 53.11 C ATOM 900 C LEU A 60 5.586 13.904 -0.397 1.00 0.24 C ATOM 901 O LEU A 60 6.470 13.362 0.288 1.00 11.31 O ATOM 902 CB LEU A 60 5.085 16.437 -0.505 1.00 71.23 C ATOM 903 CG LEU A 60 5.502 16.938 0.940 1.00 73.24 C ATOM 904 CD1 LEU A 60 4.955 16.042 2.092 1.00 73.34 C ATOM 905 CD2 LEU A 60 7.037 17.123 1.037 1.00 2.34 C ATOM 0 H LEU A 60 4.678 15.664 -2.835 1.00 4.34 H new ATOM 0 HA LEU A 60 6.926 15.441 -1.059 1.00 53.11 H new ATOM 0 HB2 LEU A 60 5.178 17.282 -1.187 1.00 71.23 H new ATOM 0 HB3 LEU A 60 4.029 16.171 -0.470 1.00 71.23 H new ATOM 0 HG LEU A 60 5.027 17.909 1.078 1.00 73.24 H new ATOM 0 HD11 LEU A 60 5.279 16.445 3.052 1.00 73.34 H new ATOM 0 HD12 LEU A 60 3.866 16.026 2.055 1.00 73.34 H new ATOM 0 HD13 LEU A 60 5.337 15.028 1.977 1.00 73.34 H new ATOM 0 HD21 LEU A 60 7.299 17.467 2.037 1.00 2.34 H new ATOM 0 HD22 LEU A 60 7.531 16.172 0.839 1.00 2.34 H new ATOM 0 HD23 LEU A 60 7.362 17.860 0.303 1.00 2.34 H new ATOM 917 N LEU A 61 4.356 13.388 -0.571 1.00 23.13 N ATOM 918 CA LEU A 61 3.920 12.109 0.012 1.00 75.35 C ATOM 919 C LEU A 61 4.683 10.945 -0.652 1.00 3.34 C ATOM 920 O LEU A 61 4.983 9.952 0.004 1.00 4.34 O ATOM 921 CB LEU A 61 2.362 11.961 -0.136 1.00 22.23 C ATOM 922 CG LEU A 61 1.628 10.973 0.856 1.00 3.41 C ATOM 923 CD1 LEU A 61 0.106 11.252 0.910 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.884 9.491 0.513 1.00 32.52 C ATOM 0 H LEU A 61 3.634 13.850 -1.123 1.00 23.13 H new ATOM 0 HA LEU A 61 4.151 12.086 1.077 1.00 75.35 H new ATOM 0 HB2 LEU A 61 1.917 12.949 -0.018 1.00 22.23 H new ATOM 0 HB3 LEU A 61 2.150 11.635 -1.154 1.00 22.23 H new ATOM 0 HG LEU A 61 2.054 11.161 1.841 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -0.367 10.555 1.601 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.065 12.273 1.251 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.323 11.125 -0.084 1.00 30.44 H new ATOM 0 HD21 LEU A 61 1.357 8.856 1.225 1.00 32.52 H new ATOM 0 HD22 LEU A 61 1.523 9.283 -0.494 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.953 9.285 0.565 1.00 32.52 H new ATOM 936 N ALA A 62 5.021 11.104 -1.941 1.00 33.11 N ATOM 937 CA ALA A 62 5.764 10.098 -2.720 1.00 42.11 C ATOM 938 C ALA A 62 7.195 9.899 -2.185 1.00 72.13 C ATOM 939 O ALA A 62 7.718 8.774 -2.166 1.00 22.43 O ATOM 940 CB ALA A 62 5.781 10.523 -4.189 1.00 71.54 C ATOM 0 H ALA A 62 4.785 11.939 -2.477 1.00 33.11 H new ATOM 0 HA ALA A 62 5.260 9.136 -2.622 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.329 9.785 -4.775 1.00 71.54 H new ATOM 0 HB2 ALA A 62 4.758 10.594 -4.559 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.268 11.494 -4.281 1.00 71.54 H new ATOM 946 N THR A 63 7.806 11.011 -1.735 1.00 51.40 N ATOM 947 CA THR A 63 9.106 10.991 -1.034 1.00 42.43 C ATOM 948 C THR A 63 8.988 10.180 0.283 1.00 34.11 C ATOM 949 O THR A 63 9.860 9.377 0.621 1.00 41.22 O ATOM 950 CB THR A 63 9.591 12.455 -0.734 1.00 51.23 C ATOM 951 OG1 THR A 63 9.675 13.184 -1.969 1.00 2.45 O ATOM 952 CG2 THR A 63 10.964 12.506 -0.026 1.00 61.44 C ATOM 0 H THR A 63 7.415 11.946 -1.846 1.00 51.40 H new ATOM 0 HA THR A 63 9.843 10.510 -1.677 1.00 42.43 H new ATOM 0 HB THR A 63 8.862 12.902 -0.057 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.775 13.317 -2.332 1.00 2.45 H new ATOM 0 HG21 THR A 63 11.243 13.544 0.153 1.00 61.44 H new ATOM 0 HG22 THR A 63 10.903 11.977 0.925 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.716 12.032 -0.656 1.00 61.44 H new ATOM 960 N ARG A 64 7.864 10.369 0.985 1.00 32.53 N ATOM 961 CA ARG A 64 7.572 9.674 2.251 1.00 54.11 C ATOM 962 C ARG A 64 7.160 8.206 2.027 1.00 75.34 C ATOM 963 O ARG A 64 7.384 7.374 2.901 1.00 4.55 O ATOM 964 CB ARG A 64 6.466 10.434 3.026 1.00 3.03 C ATOM 965 CG ARG A 64 6.887 11.844 3.506 1.00 44.35 C ATOM 966 CD ARG A 64 5.832 12.506 4.406 1.00 12.02 C ATOM 967 NE ARG A 64 6.331 13.742 5.037 1.00 13.42 N ATOM 968 CZ ARG A 64 6.322 13.997 6.362 1.00 34.45 C ATOM 969 NH1 ARG A 64 5.852 13.101 7.227 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 6.795 15.148 6.819 1.00 4.03 N ATOM 0 H ARG A 64 7.127 11.010 0.692 1.00 32.53 H new ATOM 0 HA ARG A 64 8.488 9.663 2.841 1.00 54.11 H new ATOM 0 HB2 ARG A 64 5.588 10.526 2.387 1.00 3.03 H new ATOM 0 HB3 ARG A 64 6.170 9.841 3.891 1.00 3.03 H new ATOM 0 HG2 ARG A 64 7.829 11.771 4.050 1.00 44.35 H new ATOM 0 HG3 ARG A 64 7.068 12.479 2.639 1.00 44.35 H new ATOM 0 HD2 ARG A 64 4.945 12.735 3.815 1.00 12.02 H new ATOM 0 HD3 ARG A 64 5.526 11.803 5.181 1.00 12.02 H new ATOM 0 HE ARG A 64 6.713 14.461 4.423 1.00 13.42 H new ATOM 0 HH11 ARG A 64 5.492 12.208 6.891 1.00 52.03 H new ATOM 0 HH12 ARG A 64 5.852 13.308 8.226 1.00 52.03 H new ATOM 0 HH21 ARG A 64 7.166 15.841 6.169 1.00 4.03 H new ATOM 0 HH22 ARG A 64 6.788 15.341 7.821 1.00 4.03 H new ATOM 984 N LEU A 65 6.581 7.910 0.849 1.00 23.21 N ATOM 985 CA LEU A 65 6.050 6.571 0.506 1.00 72.34 C ATOM 986 C LEU A 65 7.219 5.606 0.265 1.00 54.43 C ATOM 987 O LEU A 65 7.209 4.457 0.729 1.00 25.32 O ATOM 988 CB LEU A 65 5.111 6.680 -0.745 1.00 22.14 C ATOM 989 CG LEU A 65 4.162 5.460 -1.056 1.00 24.14 C ATOM 990 CD1 LEU A 65 4.904 4.239 -1.674 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.351 5.061 0.207 1.00 24.43 C ATOM 0 H LEU A 65 6.466 8.595 0.102 1.00 23.21 H new ATOM 0 HA LEU A 65 5.456 6.178 1.331 1.00 72.34 H new ATOM 0 HB2 LEU A 65 4.489 7.566 -0.621 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.737 6.850 -1.621 1.00 22.14 H new ATOM 0 HG LEU A 65 3.465 5.795 -1.824 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.190 3.437 -1.862 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.373 4.535 -2.612 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.669 3.889 -0.981 1.00 70.21 H new ATOM 0 HD21 LEU A 65 2.702 4.217 -0.029 1.00 24.43 H new ATOM 0 HD22 LEU A 65 4.037 4.779 1.006 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.744 5.906 0.531 1.00 24.43 H new ATOM 1003 N THR A 66 8.225 6.102 -0.464 1.00 13.30 N ATOM 1004 CA THR A 66 9.484 5.387 -0.675 1.00 12.21 C ATOM 1005 C THR A 66 10.230 5.210 0.668 1.00 63.33 C ATOM 1006 O THR A 66 10.817 4.159 0.933 1.00 13.30 O ATOM 1007 CB THR A 66 10.370 6.149 -1.699 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.587 7.499 -1.261 1.00 64.20 O ATOM 1009 CG2 THR A 66 9.724 6.168 -3.094 1.00 73.01 C ATOM 0 H THR A 66 8.187 7.012 -0.924 1.00 13.30 H new ATOM 0 HA THR A 66 9.264 4.399 -1.079 1.00 12.21 H new ATOM 0 HB THR A 66 11.323 5.624 -1.763 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.930 7.729 -0.572 1.00 64.20 H new ATOM 0 HG21 THR A 66 10.369 6.709 -3.786 1.00 73.01 H new ATOM 0 HG22 THR A 66 9.589 5.145 -3.447 1.00 73.01 H new ATOM 0 HG23 THR A 66 8.755 6.663 -3.039 1.00 73.01 H new ATOM 1017 N GLY A 67 10.142 6.256 1.513 1.00 33.30 N ATOM 1018 CA GLY A 67 10.626 6.231 2.909 1.00 10.21 C ATOM 1019 C GLY A 67 9.985 5.143 3.782 1.00 3.13 C ATOM 1020 O GLY A 67 10.656 4.572 4.653 1.00 60.41 O ATOM 0 H GLY A 67 9.730 7.150 1.244 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.706 6.086 2.904 1.00 10.21 H new ATOM 0 HA3 GLY A 67 10.437 7.203 3.364 1.00 10.21 H new ATOM 1024 N GLN A 68 8.690 4.857 3.530 1.00 64.34 N ATOM 1025 CA GLN A 68 7.947 3.756 4.203 1.00 53.45 C ATOM 1026 C GLN A 68 8.581 2.386 3.887 1.00 62.14 C ATOM 1027 O GLN A 68 8.582 1.465 4.719 1.00 45.22 O ATOM 1028 CB GLN A 68 6.455 3.733 3.762 1.00 60.11 C ATOM 1029 CG GLN A 68 5.658 5.018 4.051 1.00 51.01 C ATOM 1030 CD GLN A 68 5.567 5.368 5.538 1.00 4.24 C ATOM 1031 OE1 GLN A 68 5.547 4.485 6.399 1.00 22.22 O ATOM 1032 NE2 GLN A 68 5.488 6.654 5.848 1.00 65.31 N ATOM 0 H GLN A 68 8.127 5.377 2.858 1.00 64.34 H new ATOM 0 HA GLN A 68 8.003 3.943 5.275 1.00 53.45 H new ATOM 0 HB2 GLN A 68 6.414 3.534 2.691 1.00 60.11 H new ATOM 0 HB3 GLN A 68 5.960 2.900 4.260 1.00 60.11 H new ATOM 0 HG2 GLN A 68 6.122 5.849 3.520 1.00 51.01 H new ATOM 0 HG3 GLN A 68 4.650 4.907 3.651 1.00 51.01 H new ATOM 0 HE21 GLN A 68 5.507 7.358 5.111 1.00 65.31 H new ATOM 0 HE22 GLN A 68 5.408 6.939 6.824 1.00 65.31 H new ATOM 1041 N LEU A 69 9.112 2.275 2.661 1.00 1.33 N ATOM 1042 CA LEU A 69 9.782 1.064 2.170 1.00 1.03 C ATOM 1043 C LEU A 69 11.232 0.983 2.669 1.00 4.23 C ATOM 1044 O LEU A 69 11.738 -0.116 2.852 1.00 74.44 O ATOM 1045 CB LEU A 69 9.722 1.021 0.625 1.00 24.03 C ATOM 1046 CG LEU A 69 8.304 0.772 0.030 1.00 51.33 C ATOM 1047 CD1 LEU A 69 8.272 1.080 -1.470 1.00 34.13 C ATOM 1048 CD2 LEU A 69 7.825 -0.676 0.319 1.00 45.31 C ATOM 0 H LEU A 69 9.088 3.031 1.977 1.00 1.33 H new ATOM 0 HA LEU A 69 9.257 0.195 2.567 1.00 1.03 H new ATOM 0 HB2 LEU A 69 10.103 1.965 0.235 1.00 24.03 H new ATOM 0 HB3 LEU A 69 10.391 0.236 0.272 1.00 24.03 H new ATOM 0 HG LEU A 69 7.611 1.455 0.521 1.00 51.33 H new ATOM 0 HD11 LEU A 69 7.270 0.897 -1.858 1.00 34.13 H new ATOM 0 HD12 LEU A 69 8.539 2.124 -1.633 1.00 34.13 H new ATOM 0 HD13 LEU A 69 8.984 0.438 -1.988 1.00 34.13 H new ATOM 0 HD21 LEU A 69 6.833 -0.823 -0.107 1.00 45.31 H new ATOM 0 HD22 LEU A 69 8.521 -1.386 -0.129 1.00 45.31 H new ATOM 0 HD23 LEU A 69 7.785 -0.838 1.396 1.00 45.31 H new ATOM 1060 N HIS A 70 11.881 2.145 2.916 1.00 74.05 N ATOM 1061 CA HIS A 70 13.286 2.198 3.414 1.00 35.14 C ATOM 1062 C HIS A 70 13.422 1.443 4.747 1.00 54.13 C ATOM 1063 O HIS A 70 14.298 0.583 4.910 1.00 71.21 O ATOM 1064 CB HIS A 70 13.772 3.667 3.592 1.00 55.13 C ATOM 1065 CG HIS A 70 13.887 4.449 2.319 1.00 1.41 C ATOM 1066 ND1 HIS A 70 14.109 5.808 2.293 1.00 15.33 N ATOM 1067 CD2 HIS A 70 13.836 4.055 1.028 1.00 4.13 C ATOM 1068 CE1 HIS A 70 14.185 6.211 1.042 1.00 34.32 C ATOM 1069 NE2 HIS A 70 14.024 5.172 0.259 1.00 61.42 N ATOM 0 H HIS A 70 11.457 3.063 2.780 1.00 74.05 H new ATOM 0 HA HIS A 70 13.913 1.715 2.664 1.00 35.14 H new ATOM 0 HB2 HIS A 70 13.083 4.185 4.259 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.744 3.656 4.084 1.00 55.13 H new ATOM 0 HD2 HIS A 70 13.677 3.049 0.670 1.00 4.13 H new ATOM 0 HE1 HIS A 70 14.352 7.227 0.716 1.00 34.32 H new ATOM 0 HE2 HIS A 70 14.037 5.193 -0.761 1.00 61.42 H new ATOM 1078 N GLN A 71 12.510 1.757 5.675 1.00 51.42 N ATOM 1079 CA GLN A 71 12.428 1.099 6.994 1.00 45.22 C ATOM 1080 C GLN A 71 11.906 -0.349 6.879 1.00 10.23 C ATOM 1081 O GLN A 71 12.145 -1.167 7.772 1.00 1.43 O ATOM 1082 CB GLN A 71 11.530 1.929 7.953 1.00 34.14 C ATOM 1083 CG GLN A 71 10.130 2.248 7.391 1.00 42.30 C ATOM 1084 CD GLN A 71 9.216 2.990 8.368 1.00 63.32 C ATOM 1085 OE1 GLN A 71 9.674 3.749 9.223 1.00 55.01 O ATOM 1086 NE2 GLN A 71 7.915 2.775 8.246 1.00 73.24 N ATOM 0 H GLN A 71 11.802 2.478 5.536 1.00 51.42 H new ATOM 0 HA GLN A 71 13.436 1.050 7.405 1.00 45.22 H new ATOM 0 HB2 GLN A 71 11.417 1.384 8.890 1.00 34.14 H new ATOM 0 HB3 GLN A 71 12.037 2.865 8.188 1.00 34.14 H new ATOM 0 HG2 GLN A 71 10.241 2.848 6.488 1.00 42.30 H new ATOM 0 HG3 GLN A 71 9.648 1.316 7.097 1.00 42.30 H new ATOM 0 HE21 GLN A 71 7.568 2.140 7.527 1.00 73.24 H new ATOM 0 HE22 GLN A 71 7.260 3.244 8.871 1.00 73.24 H new ATOM 1095 N ALA A 72 11.183 -0.652 5.783 1.00 23.20 N ATOM 1096 CA ALA A 72 10.699 -2.022 5.487 1.00 10.14 C ATOM 1097 C ALA A 72 11.814 -2.908 4.882 1.00 11.15 C ATOM 1098 O ALA A 72 11.627 -4.120 4.728 1.00 32.53 O ATOM 1099 CB ALA A 72 9.483 -1.959 4.548 1.00 20.04 C ATOM 0 H ALA A 72 10.918 0.038 5.080 1.00 23.20 H new ATOM 0 HA ALA A 72 10.398 -2.482 6.428 1.00 10.14 H new ATOM 0 HB1 ALA A 72 9.134 -2.970 4.336 1.00 20.04 H new ATOM 0 HB2 ALA A 72 8.684 -1.392 5.025 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.768 -1.471 3.616 1.00 20.04 H new ATOM 1105 N GLY A 73 12.963 -2.285 4.527 1.00 2.24 N ATOM 1106 CA GLY A 73 14.128 -3.008 3.979 1.00 61.24 C ATOM 1107 C GLY A 73 14.106 -3.094 2.457 1.00 11.31 C ATOM 1108 O GLY A 73 14.647 -4.037 1.866 1.00 43.42 O ATOM 0 H GLY A 73 13.105 -1.278 4.612 1.00 2.24 H new ATOM 0 HA2 GLY A 73 15.043 -2.508 4.297 1.00 61.24 H new ATOM 0 HA3 GLY A 73 14.154 -4.015 4.395 1.00 61.24 H new ATOM 1112 N TYR A 74 13.431 -2.121 1.820 1.00 21.33 N ATOM 1113 CA TYR A 74 13.340 -2.007 0.353 1.00 62.10 C ATOM 1114 C TYR A 74 13.886 -0.651 -0.106 1.00 51.04 C ATOM 1115 O TYR A 74 13.479 0.405 0.401 1.00 43.51 O ATOM 1116 CB TYR A 74 11.873 -2.206 -0.125 1.00 12.33 C ATOM 1117 CG TYR A 74 11.321 -3.584 0.243 1.00 53.31 C ATOM 1118 CD1 TYR A 74 11.534 -4.705 -0.573 1.00 12.54 C ATOM 1119 CD2 TYR A 74 10.623 -3.778 1.433 1.00 53.10 C ATOM 1120 CE1 TYR A 74 11.064 -5.955 -0.205 1.00 52.55 C ATOM 1121 CE2 TYR A 74 10.153 -5.024 1.797 1.00 32.41 C ATOM 1122 CZ TYR A 74 10.375 -6.105 0.984 1.00 71.23 C ATOM 1123 OH TYR A 74 9.897 -7.348 1.355 1.00 34.40 O ATOM 0 H TYR A 74 12.928 -1.384 2.314 1.00 21.33 H new ATOM 0 HA TYR A 74 13.947 -2.793 -0.096 1.00 62.10 H new ATOM 0 HB2 TYR A 74 11.242 -1.435 0.317 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.825 -2.075 -1.206 1.00 12.33 H new ATOM 0 HD1 TYR A 74 12.073 -4.592 -1.502 1.00 12.54 H new ATOM 0 HD2 TYR A 74 10.446 -2.935 2.085 1.00 53.10 H new ATOM 0 HE1 TYR A 74 11.235 -6.809 -0.844 1.00 52.55 H new ATOM 0 HE2 TYR A 74 9.610 -5.147 2.723 1.00 32.41 H new ATOM 0 HH TYR A 74 9.438 -7.278 2.218 1.00 34.40 H new ATOM 1133 N GLU A 75 14.812 -0.702 -1.064 1.00 30.25 N ATOM 1134 CA GLU A 75 15.410 0.481 -1.678 1.00 41.40 C ATOM 1135 C GLU A 75 14.425 1.011 -2.751 1.00 12.03 C ATOM 1136 O GLU A 75 14.071 0.278 -3.685 1.00 11.22 O ATOM 1137 CB GLU A 75 16.807 0.077 -2.252 1.00 4.53 C ATOM 1138 CG GLU A 75 17.771 1.233 -2.616 1.00 64.50 C ATOM 1139 CD GLU A 75 17.409 2.021 -3.885 1.00 52.24 C ATOM 1140 OE1 GLU A 75 17.430 1.423 -4.979 1.00 24.20 O ATOM 1141 OE2 GLU A 75 17.145 3.242 -3.805 1.00 40.51 O1- ATOM 0 H GLU A 75 15.172 -1.579 -1.440 1.00 30.25 H new ATOM 0 HA GLU A 75 15.578 1.289 -0.967 1.00 41.40 H new ATOM 0 HB2 GLU A 75 17.303 -0.562 -1.521 1.00 4.53 H new ATOM 0 HB3 GLU A 75 16.646 -0.526 -3.146 1.00 4.53 H new ATOM 0 HG2 GLU A 75 17.811 1.928 -1.777 1.00 64.50 H new ATOM 0 HG3 GLU A 75 18.773 0.822 -2.738 1.00 64.50 H new ATOM 1148 N ALA A 76 13.959 2.262 -2.575 1.00 70.33 N ATOM 1149 CA ALA A 76 12.913 2.873 -3.420 1.00 75.30 C ATOM 1150 C ALA A 76 13.158 4.379 -3.550 1.00 43.33 C ATOM 1151 O ALA A 76 13.440 5.048 -2.550 1.00 71.03 O ATOM 1152 CB ALA A 76 11.522 2.596 -2.817 1.00 20.55 C ATOM 0 H ALA A 76 14.299 2.881 -1.839 1.00 70.33 H new ATOM 0 HA ALA A 76 12.952 2.431 -4.416 1.00 75.30 H new ATOM 0 HB1 ALA A 76 10.756 3.050 -3.446 1.00 20.55 H new ATOM 0 HB2 ALA A 76 11.357 1.520 -2.763 1.00 20.55 H new ATOM 0 HB3 ALA A 76 11.468 3.022 -1.815 1.00 20.55 H new ATOM 1158 N GLN A 77 13.041 4.911 -4.780 1.00 34.23 N ATOM 1159 CA GLN A 77 13.228 6.353 -5.073 1.00 51.31 C ATOM 1160 C GLN A 77 11.975 6.933 -5.752 1.00 12.24 C ATOM 1161 O GLN A 77 11.124 6.187 -6.258 1.00 53.11 O ATOM 1162 CB GLN A 77 14.488 6.586 -5.962 1.00 13.23 C ATOM 1163 CG GLN A 77 15.837 6.217 -5.296 1.00 44.22 C ATOM 1164 CD GLN A 77 16.109 6.944 -3.971 1.00 14.22 C ATOM 1165 OE1 GLN A 77 15.689 8.080 -3.751 1.00 54.35 O ATOM 1166 NE2 GLN A 77 16.809 6.288 -3.074 1.00 65.53 N ATOM 0 H GLN A 77 12.814 4.355 -5.605 1.00 34.23 H new ATOM 0 HA GLN A 77 13.382 6.871 -4.127 1.00 51.31 H new ATOM 0 HB2 GLN A 77 14.381 6.004 -6.877 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.519 7.636 -6.254 1.00 13.23 H new ATOM 0 HG2 GLN A 77 15.858 5.142 -5.118 1.00 44.22 H new ATOM 0 HG3 GLN A 77 16.645 6.441 -5.992 1.00 44.22 H new ATOM 0 HE21 GLN A 77 17.147 5.348 -3.279 1.00 65.53 H new ATOM 0 HE22 GLN A 77 17.015 6.719 -2.173 1.00 65.53 H new ATOM 1175 N LEU A 78 11.872 8.277 -5.725 1.00 44.24 N ATOM 1176 CA LEU A 78 10.784 9.053 -6.366 1.00 21.22 C ATOM 1177 C LEU A 78 10.680 8.701 -7.863 1.00 43.43 C ATOM 1178 O LEU A 78 9.580 8.618 -8.414 1.00 41.43 O ATOM 1179 CB LEU A 78 11.071 10.581 -6.137 1.00 14.23 C ATOM 1180 CG LEU A 78 9.974 11.645 -6.550 1.00 15.05 C ATOM 1181 CD1 LEU A 78 9.945 11.946 -8.072 1.00 34.43 C ATOM 1182 CD2 LEU A 78 8.581 11.231 -6.048 1.00 45.24 C ATOM 0 H LEU A 78 12.554 8.867 -5.249 1.00 44.24 H new ATOM 0 HA LEU A 78 9.821 8.803 -5.920 1.00 21.22 H new ATOM 0 HB2 LEU A 78 11.279 10.720 -5.076 1.00 14.23 H new ATOM 0 HB3 LEU A 78 11.986 10.827 -6.676 1.00 14.23 H new ATOM 0 HG LEU A 78 10.262 12.575 -6.060 1.00 15.05 H new ATOM 0 HD11 LEU A 78 9.170 12.683 -8.282 1.00 34.43 H new ATOM 0 HD12 LEU A 78 10.913 12.338 -8.384 1.00 34.43 H new ATOM 0 HD13 LEU A 78 9.732 11.028 -8.620 1.00 34.43 H new ATOM 0 HD21 LEU A 78 7.849 11.981 -6.347 1.00 45.24 H new ATOM 0 HD22 LEU A 78 8.310 10.267 -6.480 1.00 45.24 H new ATOM 0 HD23 LEU A 78 8.595 11.151 -4.961 1.00 45.24 H new ATOM 1194 N SER A 79 11.848 8.471 -8.478 1.00 25.13 N ATOM 1195 CA SER A 79 11.971 8.106 -9.895 1.00 0.45 C ATOM 1196 C SER A 79 11.279 6.767 -10.217 1.00 13.22 C ATOM 1197 O SER A 79 10.784 6.590 -11.330 1.00 11.33 O ATOM 1198 CB SER A 79 13.459 8.043 -10.271 1.00 20.11 C ATOM 1199 OG SER A 79 14.167 7.194 -9.388 1.00 63.51 O ATOM 0 H SER A 79 12.746 8.534 -7.998 1.00 25.13 H new ATOM 0 HA SER A 79 11.467 8.871 -10.486 1.00 0.45 H new ATOM 0 HB2 SER A 79 13.565 7.681 -11.294 1.00 20.11 H new ATOM 0 HB3 SER A 79 13.888 9.044 -10.242 1.00 20.11 H new ATOM 0 HG SER A 79 15.112 7.167 -9.647 1.00 63.51 H new ATOM 1205 N ASP A 80 11.246 5.830 -9.242 1.00 1.33 N ATOM 1206 CA ASP A 80 10.488 4.571 -9.398 1.00 30.24 C ATOM 1207 C ASP A 80 8.975 4.862 -9.398 1.00 73.44 C ATOM 1208 O ASP A 80 8.251 4.310 -10.202 1.00 53.41 O ATOM 1209 CB ASP A 80 10.825 3.533 -8.292 1.00 53.05 C ATOM 1210 CG ASP A 80 12.274 3.015 -8.335 1.00 53.20 C ATOM 1211 OD1 ASP A 80 12.629 2.304 -9.301 1.00 52.33 O ATOM 1212 OD2 ASP A 80 13.048 3.309 -7.401 1.00 10.01 O1- ATOM 0 H ASP A 80 11.730 5.921 -8.349 1.00 1.33 H new ATOM 0 HA ASP A 80 10.783 4.136 -10.353 1.00 30.24 H new ATOM 0 HB2 ASP A 80 10.641 3.984 -7.317 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.145 2.686 -8.385 1.00 53.05 H new ATOM 1217 N LEU A 81 8.512 5.743 -8.491 1.00 74.15 N ATOM 1218 CA LEU A 81 7.074 6.136 -8.411 1.00 5.11 C ATOM 1219 C LEU A 81 6.617 6.929 -9.650 1.00 21.15 C ATOM 1220 O LEU A 81 5.461 6.826 -10.062 1.00 13.13 O ATOM 1221 CB LEU A 81 6.782 6.943 -7.102 1.00 54.12 C ATOM 1222 CG LEU A 81 6.424 6.084 -5.848 1.00 51.30 C ATOM 1223 CD1 LEU A 81 6.370 6.947 -4.582 1.00 0.24 C ATOM 1224 CD2 LEU A 81 5.085 5.331 -6.058 1.00 3.20 C ATOM 0 H LEU A 81 9.105 6.201 -7.799 1.00 74.15 H new ATOM 0 HA LEU A 81 6.496 5.212 -8.385 1.00 5.11 H new ATOM 0 HB2 LEU A 81 7.657 7.550 -6.867 1.00 54.12 H new ATOM 0 HB3 LEU A 81 5.959 7.631 -7.296 1.00 54.12 H new ATOM 0 HG LEU A 81 7.213 5.344 -5.715 1.00 51.30 H new ATOM 0 HD11 LEU A 81 6.119 6.321 -3.726 1.00 0.24 H new ATOM 0 HD12 LEU A 81 7.341 7.413 -4.418 1.00 0.24 H new ATOM 0 HD13 LEU A 81 5.612 7.721 -4.701 1.00 0.24 H new ATOM 0 HD21 LEU A 81 4.857 4.740 -5.171 1.00 3.20 H new ATOM 0 HD22 LEU A 81 4.285 6.052 -6.229 1.00 3.20 H new ATOM 0 HD23 LEU A 81 5.170 4.672 -6.922 1.00 3.20 H new ATOM 1236 N PHE A 82 7.527 7.715 -10.233 1.00 24.12 N ATOM 1237 CA PHE A 82 7.196 8.623 -11.341 1.00 60.00 C ATOM 1238 C PHE A 82 7.261 7.881 -12.691 1.00 71.45 C ATOM 1239 O PHE A 82 6.407 8.086 -13.562 1.00 4.01 O ATOM 1240 CB PHE A 82 8.136 9.859 -11.331 1.00 43.43 C ATOM 1241 CG PHE A 82 7.599 11.025 -12.165 1.00 12.01 C ATOM 1242 CD1 PHE A 82 8.026 11.252 -13.474 1.00 13.30 C ATOM 1243 CD2 PHE A 82 6.643 11.887 -11.633 1.00 61.11 C ATOM 1244 CE1 PHE A 82 7.522 12.306 -14.216 1.00 43.04 C ATOM 1245 CE2 PHE A 82 6.142 12.937 -12.374 1.00 71.25 C ATOM 1246 CZ PHE A 82 6.581 13.149 -13.663 1.00 71.24 C ATOM 0 H PHE A 82 8.508 7.742 -9.954 1.00 24.12 H new ATOM 0 HA PHE A 82 6.174 8.978 -11.206 1.00 60.00 H new ATOM 0 HB2 PHE A 82 8.280 10.191 -10.303 1.00 43.43 H new ATOM 0 HB3 PHE A 82 9.115 9.567 -11.712 1.00 43.43 H new ATOM 0 HD1 PHE A 82 8.761 10.595 -13.915 1.00 13.30 H new ATOM 0 HD2 PHE A 82 6.289 11.731 -10.625 1.00 61.11 H new ATOM 0 HE1 PHE A 82 7.865 12.468 -15.227 1.00 43.04 H new ATOM 0 HE2 PHE A 82 5.403 13.596 -11.942 1.00 71.25 H new ATOM 0 HZ PHE A 82 6.189 13.974 -14.239 1.00 71.24 H new ATOM 1256 N ASN A 83 8.287 7.023 -12.860 1.00 71.43 N ATOM 1257 CA ASN A 83 8.442 6.195 -14.081 1.00 50.35 C ATOM 1258 C ASN A 83 7.467 5.010 -14.042 1.00 43.32 C ATOM 1259 O ASN A 83 6.995 4.537 -15.080 1.00 2.43 O ATOM 1260 CB ASN A 83 9.902 5.669 -14.223 1.00 25.24 C ATOM 1261 CG ASN A 83 10.188 4.935 -15.551 1.00 54.41 C ATOM 1262 OD1 ASN A 83 10.876 3.916 -15.579 1.00 3.24 O ATOM 1263 ND2 ASN A 83 9.706 5.464 -16.666 1.00 11.23 N ATOM 0 H ASN A 83 9.023 6.883 -12.168 1.00 71.43 H new ATOM 0 HA ASN A 83 8.217 6.823 -14.943 1.00 50.35 H new ATOM 0 HB2 ASN A 83 10.589 6.510 -14.131 1.00 25.24 H new ATOM 0 HB3 ASN A 83 10.114 4.993 -13.395 1.00 25.24 H new ATOM 0 HD21 ASN A 83 9.904 5.026 -17.566 1.00 11.23 H new ATOM 0 HD22 ASN A 83 9.137 6.310 -16.625 1.00 11.23 H new ATOM 1270 N HIS A 84 7.165 4.542 -12.819 1.00 15.15 N ATOM 1271 CA HIS A 84 6.286 3.391 -12.578 1.00 42.10 C ATOM 1272 C HIS A 84 5.200 3.812 -11.575 1.00 13.12 C ATOM 1273 O HIS A 84 5.329 3.570 -10.370 1.00 54.15 O ATOM 1274 CB HIS A 84 7.109 2.186 -12.053 1.00 72.20 C ATOM 1275 CG HIS A 84 8.271 1.844 -12.932 1.00 43.14 C ATOM 1276 ND1 HIS A 84 8.131 1.189 -14.135 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.591 2.138 -12.820 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.300 1.102 -14.729 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.206 1.666 -13.955 1.00 32.13 N ATOM 0 H HIS A 84 7.530 4.959 -11.962 1.00 15.15 H new ATOM 0 HA HIS A 84 5.811 3.076 -13.507 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.473 2.411 -11.050 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.457 1.317 -11.968 1.00 72.20 H new ATOM 0 HD2 HIS A 84 10.068 2.647 -11.995 1.00 43.43 H new ATOM 0 HE1 HIS A 84 9.487 0.645 -15.690 1.00 31.22 H new ATOM 0 HE2 HIS A 84 11.202 1.740 -14.164 1.00 32.13 H new ATOM 1288 N PRO A 85 4.133 4.515 -12.056 1.00 12.11 N ATOM 1289 CA PRO A 85 3.102 5.083 -11.168 1.00 14.33 C ATOM 1290 C PRO A 85 2.147 4.020 -10.588 1.00 63.32 C ATOM 1291 O PRO A 85 1.619 4.221 -9.495 1.00 54.33 O ATOM 1292 CB PRO A 85 2.385 6.103 -12.078 1.00 72.15 C ATOM 1293 CG PRO A 85 2.544 5.565 -13.467 1.00 11.34 C ATOM 1294 CD PRO A 85 3.858 4.821 -13.490 1.00 63.43 C ATOM 0 HA PRO A 85 3.524 5.537 -10.272 1.00 14.33 H new ATOM 0 HB2 PRO A 85 1.333 6.199 -11.810 1.00 72.15 H new ATOM 0 HB3 PRO A 85 2.829 7.094 -11.986 1.00 72.15 H new ATOM 0 HG2 PRO A 85 1.718 4.902 -13.723 1.00 11.34 H new ATOM 0 HG3 PRO A 85 2.543 6.373 -14.199 1.00 11.34 H new ATOM 0 HD2 PRO A 85 3.789 3.910 -14.085 1.00 63.43 H new ATOM 0 HD3 PRO A 85 4.651 5.428 -13.927 1.00 63.43 H new ATOM 1302 N ARG A 86 1.972 2.879 -11.306 1.00 35.33 N ATOM 1303 CA ARG A 86 1.045 1.796 -10.881 1.00 52.33 C ATOM 1304 C ARG A 86 1.596 1.120 -9.620 1.00 60.22 C ATOM 1305 O ARG A 86 2.808 1.127 -9.391 1.00 45.42 O ATOM 1306 CB ARG A 86 0.811 0.686 -11.965 1.00 5.20 C ATOM 1307 CG ARG A 86 0.318 1.136 -13.365 1.00 44.40 C ATOM 1308 CD ARG A 86 1.417 1.819 -14.184 1.00 74.33 C ATOM 1309 NE ARG A 86 1.042 2.151 -15.564 1.00 11.24 N ATOM 1310 CZ ARG A 86 1.911 2.300 -16.574 1.00 15.32 C ATOM 1311 NH1 ARG A 86 3.218 2.140 -16.398 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 1.473 2.629 -17.766 1.00 51.52 N ATOM 0 H ARG A 86 2.460 2.686 -12.181 1.00 35.33 H new ATOM 0 HA ARG A 86 0.085 2.280 -10.703 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.748 0.144 -12.098 1.00 5.20 H new ATOM 0 HB3 ARG A 86 0.086 -0.024 -11.567 1.00 5.20 H new ATOM 0 HG2 ARG A 86 -0.052 0.269 -13.912 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -0.522 1.821 -13.248 1.00 44.40 H new ATOM 0 HD2 ARG A 86 1.715 2.735 -13.673 1.00 74.33 H new ATOM 0 HD3 ARG A 86 2.291 1.168 -14.207 1.00 74.33 H new ATOM 0 HE ARG A 86 0.051 2.277 -15.769 1.00 11.24 H new ATOM 0 HH11 ARG A 86 3.583 1.898 -15.477 1.00 11.03 H new ATOM 0 HH12 ARG A 86 3.857 2.259 -17.184 1.00 11.03 H new ATOM 0 HH21 ARG A 86 0.475 2.770 -17.921 1.00 51.52 H new ATOM 0 HH22 ARG A 86 2.131 2.743 -18.537 1.00 51.52 H new ATOM 1326 N LEU A 87 0.698 0.504 -8.841 1.00 52.23 N ATOM 1327 CA LEU A 87 1.050 -0.198 -7.598 1.00 35.35 C ATOM 1328 C LEU A 87 2.050 -1.334 -7.892 1.00 4.43 C ATOM 1329 O LEU A 87 3.141 -1.361 -7.320 1.00 70.10 O ATOM 1330 CB LEU A 87 -0.252 -0.730 -6.927 1.00 71.12 C ATOM 1331 CG LEU A 87 -0.205 -1.136 -5.407 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -1.632 -1.382 -4.882 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.675 -2.375 -5.134 1.00 40.12 C ATOM 0 H LEU A 87 -0.299 0.478 -9.056 1.00 52.23 H new ATOM 0 HA LEU A 87 1.537 0.489 -6.906 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -1.020 0.035 -7.042 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.583 -1.601 -7.492 1.00 71.12 H new ATOM 0 HG LEU A 87 0.253 -0.301 -4.876 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -1.589 -1.662 -3.830 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -2.222 -0.472 -4.991 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -2.096 -2.186 -5.453 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.664 -2.601 -4.068 1.00 40.12 H new ATOM 0 HD22 LEU A 87 0.285 -3.228 -5.690 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.698 -2.172 -5.451 1.00 40.12 H new ATOM 1345 N ALA A 88 1.675 -2.234 -8.824 1.00 11.20 N ATOM 1346 CA ALA A 88 2.451 -3.463 -9.101 1.00 54.51 C ATOM 1347 C ALA A 88 3.627 -3.179 -10.049 1.00 72.31 C ATOM 1348 O ALA A 88 4.591 -3.941 -10.084 1.00 71.01 O ATOM 1349 CB ALA A 88 1.537 -4.557 -9.673 1.00 4.35 C ATOM 0 H ALA A 88 0.838 -2.133 -9.399 1.00 11.20 H new ATOM 0 HA ALA A 88 2.867 -3.819 -8.159 1.00 54.51 H new ATOM 0 HB1 ALA A 88 2.123 -5.454 -9.871 1.00 4.35 H new ATOM 0 HB2 ALA A 88 0.752 -4.788 -8.953 1.00 4.35 H new ATOM 0 HB3 ALA A 88 1.086 -4.206 -10.601 1.00 4.35 H new ATOM 1355 N ASP A 89 3.537 -2.074 -10.810 1.00 21.05 N ATOM 1356 CA ASP A 89 4.633 -1.628 -11.702 1.00 73.42 C ATOM 1357 C ASP A 89 5.812 -1.108 -10.852 1.00 74.44 C ATOM 1358 O ASP A 89 6.978 -1.446 -11.092 1.00 30.21 O ATOM 1359 CB ASP A 89 4.094 -0.535 -12.657 1.00 52.41 C ATOM 1360 CG ASP A 89 5.046 -0.081 -13.780 1.00 34.03 C ATOM 1361 OD1 ASP A 89 5.976 -0.818 -14.148 1.00 34.35 O ATOM 1362 OD2 ASP A 89 4.838 1.021 -14.328 1.00 52.34 O1- ATOM 0 H ASP A 89 2.716 -1.469 -10.828 1.00 21.05 H new ATOM 0 HA ASP A 89 4.997 -2.461 -12.304 1.00 73.42 H new ATOM 0 HB2 ASP A 89 3.176 -0.903 -13.115 1.00 52.41 H new ATOM 0 HB3 ASP A 89 3.826 0.338 -12.062 1.00 52.41 H new ATOM 1367 N PHE A 90 5.455 -0.299 -9.841 1.00 40.31 N ATOM 1368 CA PHE A 90 6.375 0.201 -8.804 1.00 64.41 C ATOM 1369 C PHE A 90 6.905 -0.964 -7.941 1.00 55.44 C ATOM 1370 O PHE A 90 8.102 -1.035 -7.647 1.00 71.35 O ATOM 1371 CB PHE A 90 5.621 1.248 -7.934 1.00 13.53 C ATOM 1372 CG PHE A 90 6.388 1.799 -6.734 1.00 70.33 C ATOM 1373 CD1 PHE A 90 7.600 2.464 -6.902 1.00 34.25 C ATOM 1374 CD2 PHE A 90 5.886 1.665 -5.437 1.00 61.20 C ATOM 1375 CE1 PHE A 90 8.289 2.975 -5.814 1.00 71.14 C ATOM 1376 CE2 PHE A 90 6.573 2.175 -4.355 1.00 55.13 C ATOM 1377 CZ PHE A 90 7.776 2.832 -4.543 1.00 2.52 C ATOM 0 H PHE A 90 4.498 0.033 -9.718 1.00 40.31 H new ATOM 0 HA PHE A 90 7.238 0.676 -9.271 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.336 2.084 -8.573 1.00 13.53 H new ATOM 0 HB3 PHE A 90 4.698 0.794 -7.573 1.00 13.53 H new ATOM 0 HD1 PHE A 90 8.009 2.583 -7.895 1.00 34.25 H new ATOM 0 HD2 PHE A 90 4.947 1.155 -5.279 1.00 61.20 H new ATOM 0 HE1 PHE A 90 9.229 3.486 -5.962 1.00 71.14 H new ATOM 0 HE2 PHE A 90 6.171 2.061 -3.359 1.00 55.13 H new ATOM 0 HZ PHE A 90 8.312 3.232 -3.695 1.00 2.52 H new ATOM 1387 N ALA A 91 5.991 -1.891 -7.577 1.00 44.42 N ATOM 1388 CA ALA A 91 6.299 -3.072 -6.738 1.00 12.33 C ATOM 1389 C ALA A 91 7.249 -4.055 -7.460 1.00 0.10 C ATOM 1390 O ALA A 91 8.013 -4.780 -6.812 1.00 73.13 O ATOM 1391 CB ALA A 91 4.995 -3.774 -6.319 1.00 43.22 C ATOM 0 H ALA A 91 5.012 -1.841 -7.859 1.00 44.42 H new ATOM 0 HA ALA A 91 6.817 -2.726 -5.843 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.231 -4.641 -5.702 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.376 -3.081 -5.749 1.00 43.22 H new ATOM 0 HB3 ALA A 91 4.454 -4.097 -7.208 1.00 43.22 H new ATOM 1397 N ALA A 92 7.196 -4.054 -8.809 1.00 44.44 N ATOM 1398 CA ALA A 92 8.095 -4.870 -9.658 1.00 0.22 C ATOM 1399 C ALA A 92 9.518 -4.297 -9.636 1.00 24.23 C ATOM 1400 O ALA A 92 10.504 -5.040 -9.607 1.00 22.24 O ATOM 1401 CB ALA A 92 7.566 -4.926 -11.103 1.00 12.21 C ATOM 0 H ALA A 92 6.532 -3.490 -9.340 1.00 44.44 H new ATOM 0 HA ALA A 92 8.121 -5.883 -9.257 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.238 -5.529 -11.713 1.00 12.21 H new ATOM 0 HB2 ALA A 92 6.571 -5.372 -11.109 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.514 -3.916 -11.511 1.00 12.21 H new ATOM 1407 N THR A 93 9.597 -2.956 -9.630 1.00 0.21 N ATOM 1408 CA THR A 93 10.862 -2.216 -9.709 1.00 51.10 C ATOM 1409 C THR A 93 11.434 -1.891 -8.320 1.00 21.53 C ATOM 1410 O THR A 93 12.362 -1.088 -8.209 1.00 35.52 O ATOM 1411 CB THR A 93 10.664 -0.919 -10.565 1.00 63.43 C ATOM 1412 OG1 THR A 93 9.629 -0.087 -10.011 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.288 -1.273 -12.015 1.00 1.34 C ATOM 0 H THR A 93 8.777 -2.353 -9.570 1.00 0.21 H new ATOM 0 HA THR A 93 11.597 -2.854 -10.199 1.00 51.10 H new ATOM 0 HB THR A 93 11.610 -0.377 -10.553 1.00 63.43 H new ATOM 0 HG1 THR A 93 9.299 -0.486 -9.179 1.00 62.22 H new ATOM 0 HG21 THR A 93 10.156 -0.357 -12.591 1.00 1.34 H new ATOM 0 HG22 THR A 93 11.083 -1.870 -12.462 1.00 1.34 H new ATOM 0 HG23 THR A 93 9.359 -1.843 -12.021 1.00 1.34 H new ATOM 1421 N LEU A 94 10.889 -2.526 -7.262 1.00 22.25 N ATOM 1422 CA LEU A 94 11.468 -2.443 -5.908 1.00 5.30 C ATOM 1423 C LEU A 94 12.654 -3.396 -5.775 1.00 63.41 C ATOM 1424 O LEU A 94 12.646 -4.500 -6.324 1.00 51.23 O ATOM 1425 CB LEU A 94 10.419 -2.742 -4.805 1.00 35.43 C ATOM 1426 CG LEU A 94 9.271 -1.700 -4.681 1.00 1.41 C ATOM 1427 CD1 LEU A 94 8.344 -2.030 -3.496 1.00 10.34 C ATOM 1428 CD2 LEU A 94 9.827 -0.259 -4.598 1.00 72.11 C ATOM 0 H LEU A 94 10.049 -3.101 -7.321 1.00 22.25 H new ATOM 0 HA LEU A 94 11.811 -1.418 -5.767 1.00 5.30 H new ATOM 0 HB2 LEU A 94 9.980 -3.721 -5.000 1.00 35.43 H new ATOM 0 HB3 LEU A 94 10.933 -2.808 -3.846 1.00 35.43 H new ATOM 0 HG LEU A 94 8.667 -1.758 -5.587 1.00 1.41 H new ATOM 0 HD11 LEU A 94 7.552 -1.284 -3.435 1.00 10.34 H new ATOM 0 HD12 LEU A 94 7.903 -3.016 -3.642 1.00 10.34 H new ATOM 0 HD13 LEU A 94 8.920 -2.024 -2.571 1.00 10.34 H new ATOM 0 HD21 LEU A 94 9.000 0.446 -4.512 1.00 72.11 H new ATOM 0 HD22 LEU A 94 10.473 -0.168 -3.725 1.00 72.11 H new ATOM 0 HD23 LEU A 94 10.400 -0.038 -5.498 1.00 72.11 H new ATOM 1440 N ARG A 95 13.669 -2.946 -5.032 1.00 33.33 N ATOM 1441 CA ARG A 95 14.909 -3.703 -4.795 1.00 42.55 C ATOM 1442 C ARG A 95 15.016 -3.947 -3.283 1.00 0.13 C ATOM 1443 O ARG A 95 14.555 -3.118 -2.498 1.00 74.40 O ATOM 1444 CB ARG A 95 16.173 -2.918 -5.321 1.00 11.44 C ATOM 1445 CG ARG A 95 15.971 -2.123 -6.651 1.00 3.42 C ATOM 1446 CD ARG A 95 15.330 -0.726 -6.433 1.00 31.42 C ATOM 1447 NE ARG A 95 14.967 -0.026 -7.682 1.00 14.40 N ATOM 1448 CZ ARG A 95 15.813 0.619 -8.491 1.00 34.01 C ATOM 1449 NH1 ARG A 95 17.116 0.673 -8.222 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 15.329 1.261 -9.540 1.00 30.53 N ATOM 0 H ARG A 95 13.656 -2.036 -4.571 1.00 33.33 H new ATOM 0 HA ARG A 95 14.878 -4.647 -5.338 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.493 -2.220 -4.547 1.00 11.44 H new ATOM 0 HB3 ARG A 95 16.986 -3.630 -5.464 1.00 11.44 H new ATOM 0 HG2 ARG A 95 16.935 -2.001 -7.145 1.00 3.42 H new ATOM 0 HG3 ARG A 95 15.340 -2.705 -7.323 1.00 3.42 H new ATOM 0 HD2 ARG A 95 14.436 -0.840 -5.820 1.00 31.42 H new ATOM 0 HD3 ARG A 95 16.025 -0.104 -5.869 1.00 31.42 H new ATOM 0 HE ARG A 95 13.983 -0.036 -7.951 1.00 14.40 H new ATOM 0 HH11 ARG A 95 17.484 0.217 -7.387 1.00 45.31 H new ATOM 0 HH12 ARG A 95 17.746 1.170 -8.851 1.00 45.31 H new ATOM 0 HH21 ARG A 95 14.325 1.259 -9.721 1.00 30.53 H new ATOM 0 HH22 ARG A 95 15.959 1.759 -10.169 1.00 30.53 H new ATOM 1464 N LYS A 96 15.600 -5.080 -2.876 1.00 73.11 N ATOM 1465 CA LYS A 96 15.830 -5.387 -1.457 1.00 72.24 C ATOM 1466 C LYS A 96 17.131 -4.740 -0.980 1.00 33.53 C ATOM 1467 O LYS A 96 18.176 -4.884 -1.623 1.00 35.13 O ATOM 1468 CB LYS A 96 15.874 -6.923 -1.209 1.00 3.24 C ATOM 1469 CG LYS A 96 14.495 -7.625 -1.271 1.00 43.30 C ATOM 1470 CD LYS A 96 14.594 -9.119 -0.891 1.00 3.25 C ATOM 1471 CE LYS A 96 13.224 -9.796 -0.744 1.00 62.43 C ATOM 1472 NZ LYS A 96 13.356 -11.238 -0.384 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.925 -5.806 -3.515 1.00 73.11 H new ATOM 0 HA LYS A 96 14.996 -4.977 -0.887 1.00 72.24 H new ATOM 0 HB2 LYS A 96 16.533 -7.379 -1.948 1.00 3.24 H new ATOM 0 HB3 LYS A 96 16.317 -7.107 -0.230 1.00 3.24 H new ATOM 0 HG2 LYS A 96 13.801 -7.124 -0.596 1.00 43.30 H new ATOM 0 HG3 LYS A 96 14.085 -7.532 -2.277 1.00 43.30 H new ATOM 0 HD2 LYS A 96 15.172 -9.644 -1.652 1.00 3.25 H new ATOM 0 HD3 LYS A 96 15.142 -9.214 0.047 1.00 3.25 H new ATOM 0 HE2 LYS A 96 12.644 -9.281 0.022 1.00 62.43 H new ATOM 0 HE3 LYS A 96 12.670 -9.704 -1.678 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 12.410 -11.661 -0.293 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 13.888 -11.734 -1.127 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 13.862 -11.325 0.520 1.00 22.24 H new ATOM 1486 N THR A 97 17.042 -4.028 0.143 1.00 64.33 N ATOM 1487 CA THR A 97 18.197 -3.468 0.839 1.00 24.42 C ATOM 1488 C THR A 97 18.741 -4.537 1.818 1.00 43.32 C ATOM 1489 O THR A 97 17.946 -5.280 2.414 1.00 4.33 O ATOM 1490 CB THR A 97 17.791 -2.169 1.620 1.00 24.15 C ATOM 1491 OG1 THR A 97 17.011 -1.316 0.767 1.00 55.25 O ATOM 1492 CG2 THR A 97 19.020 -1.391 2.116 1.00 60.14 C ATOM 0 H THR A 97 16.154 -3.822 0.600 1.00 64.33 H new ATOM 0 HA THR A 97 18.968 -3.196 0.118 1.00 24.42 H new ATOM 0 HB THR A 97 17.209 -2.477 2.489 1.00 24.15 H new ATOM 0 HG1 THR A 97 16.757 -0.506 1.258 1.00 55.25 H new ATOM 0 HG21 THR A 97 18.694 -0.499 2.651 1.00 60.14 H new ATOM 0 HG22 THR A 97 19.605 -2.022 2.785 1.00 60.14 H new ATOM 0 HG23 THR A 97 19.634 -1.099 1.264 1.00 60.14 H new ATOM 1500 N ASP A 98 20.078 -4.614 1.969 1.00 13.43 N ATOM 1501 CA ASP A 98 20.742 -5.579 2.874 1.00 60.15 C ATOM 1502 C ASP A 98 20.431 -5.218 4.342 1.00 31.32 C ATOM 1503 O ASP A 98 20.723 -4.100 4.783 1.00 53.53 O ATOM 1504 CB ASP A 98 22.283 -5.596 2.611 1.00 74.25 C ATOM 1505 CG ASP A 98 22.636 -6.016 1.166 1.00 50.34 C ATOM 1506 OD1 ASP A 98 22.524 -7.211 0.849 1.00 10.20 O ATOM 1507 OD2 ASP A 98 23.013 -5.144 0.347 1.00 61.42 O1- ATOM 0 H ASP A 98 20.730 -4.010 1.468 1.00 13.43 H new ATOM 0 HA ASP A 98 20.358 -6.580 2.678 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.692 -4.605 2.807 1.00 74.25 H new ATOM 0 HB3 ASP A 98 22.760 -6.282 3.311 1.00 74.25 H new ATOM 1512 N VAL A 99 19.793 -6.154 5.059 1.00 31.13 N ATOM 1513 CA VAL A 99 19.471 -6.011 6.492 1.00 65.52 C ATOM 1514 C VAL A 99 20.727 -6.367 7.347 1.00 12.14 C ATOM 1515 O VAL A 99 21.172 -7.517 7.335 1.00 4.43 O ATOM 1516 CB VAL A 99 18.208 -6.880 6.895 1.00 33.23 C ATOM 1517 CG1 VAL A 99 18.327 -8.347 6.421 1.00 25.02 C ATOM 1518 CG2 VAL A 99 17.926 -6.789 8.422 1.00 3.55 C ATOM 0 H VAL A 99 19.482 -7.040 4.660 1.00 31.13 H new ATOM 0 HA VAL A 99 19.202 -4.974 6.693 1.00 65.52 H new ATOM 0 HB VAL A 99 17.350 -6.456 6.373 1.00 33.23 H new ATOM 0 HG11 VAL A 99 17.437 -8.900 6.722 1.00 25.02 H new ATOM 0 HG12 VAL A 99 18.420 -8.372 5.335 1.00 25.02 H new ATOM 0 HG13 VAL A 99 19.208 -8.805 6.871 1.00 25.02 H new ATOM 0 HG21 VAL A 99 17.054 -7.395 8.668 1.00 3.55 H new ATOM 0 HG22 VAL A 99 18.791 -7.157 8.974 1.00 3.55 H new ATOM 0 HG23 VAL A 99 17.735 -5.751 8.696 1.00 3.55 H new ATOM 1528 N PRO A 100 21.338 -5.365 8.079 1.00 61.44 N ATOM 1529 CA PRO A 100 22.588 -5.575 8.870 1.00 24.42 C ATOM 1530 C PRO A 100 22.382 -6.531 10.071 1.00 63.12 C ATOM 1531 O PRO A 100 23.248 -7.356 10.398 1.00 61.40 O ATOM 1532 CB PRO A 100 22.959 -4.135 9.362 1.00 52.44 C ATOM 1533 CG PRO A 100 22.143 -3.204 8.512 1.00 22.32 C ATOM 1534 CD PRO A 100 20.874 -3.954 8.189 1.00 64.13 C ATOM 0 HA PRO A 100 23.369 -6.047 8.273 1.00 24.42 H new ATOM 0 HB2 PRO A 100 22.726 -4.008 10.419 1.00 52.44 H new ATOM 0 HB3 PRO A 100 24.025 -3.942 9.245 1.00 52.44 H new ATOM 0 HG2 PRO A 100 21.926 -2.277 9.043 1.00 22.32 H new ATOM 0 HG3 PRO A 100 22.679 -2.932 7.603 1.00 22.32 H new ATOM 0 HD2 PRO A 100 20.125 -3.835 8.972 1.00 64.13 H new ATOM 0 HD3 PRO A 100 20.423 -3.604 7.260 1.00 64.13 H new ATOM 1542 N VAL A 101 21.204 -6.394 10.701 1.00 43.40 N ATOM 1543 CA VAL A 101 20.830 -7.105 11.942 1.00 43.03 C ATOM 1544 C VAL A 101 20.014 -8.379 11.631 1.00 52.41 C ATOM 1545 O VAL A 101 18.886 -8.570 12.108 1.00 22.31 O ATOM 1546 CB VAL A 101 20.059 -6.128 12.928 1.00 54.54 C ATOM 1547 CG1 VAL A 101 21.022 -5.085 13.555 1.00 63.41 C ATOM 1548 CG2 VAL A 101 18.865 -5.426 12.221 1.00 52.22 C ATOM 0 H VAL A 101 20.469 -5.775 10.359 1.00 43.40 H new ATOM 0 HA VAL A 101 21.741 -7.430 12.445 1.00 43.03 H new ATOM 0 HB VAL A 101 19.653 -6.738 13.735 1.00 54.54 H new ATOM 0 HG11 VAL A 101 20.464 -4.431 14.225 1.00 63.41 H new ATOM 0 HG12 VAL A 101 21.801 -5.601 14.117 1.00 63.41 H new ATOM 0 HG13 VAL A 101 21.479 -4.490 12.764 1.00 63.41 H new ATOM 0 HG21 VAL A 101 18.361 -4.765 12.927 1.00 52.22 H new ATOM 0 HG22 VAL A 101 19.234 -4.842 11.378 1.00 52.22 H new ATOM 0 HG23 VAL A 101 18.162 -6.178 11.862 1.00 52.22 H new ATOM 1558 N GLU A 102 20.619 -9.258 10.823 1.00 11.53 N ATOM 1559 CA GLU A 102 20.053 -10.580 10.496 1.00 45.20 C ATOM 1560 C GLU A 102 21.202 -11.532 10.097 1.00 0.15 C ATOM 1561 O GLU A 102 21.041 -12.414 9.235 1.00 32.53 O ATOM 1562 CB GLU A 102 18.983 -10.430 9.379 1.00 64.02 C ATOM 1563 CG GLU A 102 18.026 -11.630 9.244 1.00 2.13 C ATOM 1564 CD GLU A 102 16.848 -11.354 8.297 1.00 15.11 C ATOM 1565 OE1 GLU A 102 16.904 -11.743 7.112 1.00 31.11 O ATOM 1566 OE2 GLU A 102 15.855 -10.747 8.744 1.00 51.53 O1- ATOM 0 H GLU A 102 21.517 -9.076 10.375 1.00 11.53 H new ATOM 0 HA GLU A 102 19.550 -11.011 11.361 1.00 45.20 H new ATOM 0 HB2 GLU A 102 18.395 -9.533 9.575 1.00 64.02 H new ATOM 0 HB3 GLU A 102 19.490 -10.277 8.426 1.00 64.02 H new ATOM 0 HG2 GLU A 102 18.583 -12.493 8.880 1.00 2.13 H new ATOM 0 HG3 GLU A 102 17.640 -11.892 10.229 1.00 2.13 H new ATOM 1573 N GLN A 103 22.360 -11.327 10.772 1.00 32.15 N ATOM 1574 CA GLN A 103 23.616 -12.092 10.581 1.00 22.24 C ATOM 1575 C GLN A 103 24.242 -11.799 9.185 1.00 63.24 C ATOM 1576 O GLN A 103 23.521 -11.766 8.176 1.00 25.43 O ATOM 1577 CB GLN A 103 23.416 -13.630 10.843 1.00 41.13 C ATOM 1578 CG GLN A 103 23.580 -14.124 12.316 1.00 14.23 C ATOM 1579 CD GLN A 103 22.578 -13.564 13.355 1.00 71.11 C ATOM 1580 OE1 GLN A 103 22.106 -12.435 13.271 1.00 23.31 O ATOM 1581 NE2 GLN A 103 22.240 -14.374 14.352 1.00 12.10 N ATOM 0 H GLN A 103 22.448 -10.603 11.485 1.00 32.15 H new ATOM 0 HA GLN A 103 24.330 -11.750 11.331 1.00 22.24 H new ATOM 0 HB2 GLN A 103 22.418 -13.905 10.502 1.00 41.13 H new ATOM 0 HB3 GLN A 103 24.126 -14.175 10.221 1.00 41.13 H new ATOM 0 HG2 GLN A 103 23.502 -15.211 12.320 1.00 14.23 H new ATOM 0 HG3 GLN A 103 24.588 -13.875 12.648 1.00 14.23 H new ATOM 0 HE21 GLN A 103 22.642 -15.310 14.407 1.00 12.10 H new ATOM 0 HE22 GLN A 103 21.579 -14.060 15.062 1.00 12.10 H new ATOM 1590 N PRO A 104 25.598 -11.565 9.101 1.00 23.33 N ATOM 1591 CA PRO A 104 26.281 -11.244 7.821 1.00 33.15 C ATOM 1592 C PRO A 104 26.103 -12.374 6.782 1.00 52.23 C ATOM 1593 O PRO A 104 26.678 -13.463 6.929 1.00 40.25 O ATOM 1594 CB PRO A 104 27.773 -11.044 8.238 1.00 1.23 C ATOM 1595 CG PRO A 104 27.913 -11.750 9.553 1.00 74.21 C ATOM 1596 CD PRO A 104 26.570 -11.601 10.232 1.00 64.31 C ATOM 0 HA PRO A 104 25.871 -10.361 7.330 1.00 33.15 H new ATOM 0 HB2 PRO A 104 28.449 -11.462 7.493 1.00 1.23 H new ATOM 0 HB3 PRO A 104 28.017 -9.986 8.332 1.00 1.23 H new ATOM 0 HG2 PRO A 104 28.167 -12.800 9.410 1.00 74.21 H new ATOM 0 HG3 PRO A 104 28.708 -11.309 10.154 1.00 74.21 H new ATOM 0 HD2 PRO A 104 26.368 -12.434 10.906 1.00 64.31 H new ATOM 0 HD3 PRO A 104 26.523 -10.690 10.828 1.00 64.31 H new ATOM 1604 N PHE A 105 25.233 -12.123 5.781 1.00 72.35 N ATOM 1605 CA PHE A 105 24.974 -13.070 4.686 1.00 11.24 C ATOM 1606 C PHE A 105 26.247 -13.218 3.821 1.00 14.14 C ATOM 1607 O PHE A 105 26.489 -12.418 2.903 1.00 74.34 O ATOM 1608 CB PHE A 105 23.764 -12.609 3.816 1.00 11.11 C ATOM 1609 CG PHE A 105 22.421 -12.528 4.558 1.00 44.11 C ATOM 1610 CD1 PHE A 105 21.562 -13.627 4.614 1.00 41.32 C ATOM 1611 CD2 PHE A 105 22.017 -11.353 5.198 1.00 44.30 C ATOM 1612 CE1 PHE A 105 20.352 -13.553 5.284 1.00 23.02 C ATOM 1613 CE2 PHE A 105 20.806 -11.280 5.866 1.00 34.45 C ATOM 1614 CZ PHE A 105 19.978 -12.383 5.910 1.00 62.41 C ATOM 0 H PHE A 105 24.694 -11.260 5.713 1.00 72.35 H new ATOM 0 HA PHE A 105 24.717 -14.039 5.114 1.00 11.24 H new ATOM 0 HB2 PHE A 105 23.990 -11.628 3.398 1.00 11.11 H new ATOM 0 HB3 PHE A 105 23.657 -13.296 2.977 1.00 11.11 H new ATOM 0 HD1 PHE A 105 21.845 -14.549 4.128 1.00 41.32 H new ATOM 0 HD2 PHE A 105 22.661 -10.486 5.171 1.00 44.30 H new ATOM 0 HE1 PHE A 105 19.700 -14.414 5.316 1.00 23.02 H new ATOM 0 HE2 PHE A 105 20.510 -10.362 6.351 1.00 34.45 H new ATOM 0 HZ PHE A 105 19.036 -12.330 6.435 1.00 62.41 H new ATOM 1624 N VAL A 106 27.070 -14.228 4.148 1.00 54.03 N ATOM 1625 CA VAL A 106 28.347 -14.501 3.453 1.00 35.31 C ATOM 1626 C VAL A 106 28.107 -15.375 2.199 1.00 54.03 C ATOM 1627 O VAL A 106 28.848 -16.327 1.925 1.00 61.12 O ATOM 1628 CB VAL A 106 29.413 -15.152 4.440 1.00 45.34 C ATOM 1629 CG1 VAL A 106 29.839 -14.140 5.532 1.00 53.25 C ATOM 1630 CG2 VAL A 106 28.888 -16.464 5.080 1.00 22.40 C ATOM 0 H VAL A 106 26.871 -14.883 4.904 1.00 54.03 H new ATOM 0 HA VAL A 106 28.766 -13.552 3.117 1.00 35.31 H new ATOM 0 HB VAL A 106 30.289 -15.411 3.845 1.00 45.34 H new ATOM 0 HG11 VAL A 106 30.568 -14.606 6.195 1.00 53.25 H new ATOM 0 HG12 VAL A 106 30.285 -13.263 5.062 1.00 53.25 H new ATOM 0 HG13 VAL A 106 28.965 -13.837 6.109 1.00 53.25 H new ATOM 0 HG21 VAL A 106 29.648 -16.873 5.746 1.00 22.40 H new ATOM 0 HG22 VAL A 106 27.982 -16.254 5.649 1.00 22.40 H new ATOM 0 HG23 VAL A 106 28.665 -17.187 4.296 1.00 22.40 H new ATOM 1640 N HIS A 107 27.064 -14.998 1.419 1.00 71.30 N ATOM 1641 CA HIS A 107 26.690 -15.670 0.168 1.00 75.43 C ATOM 1642 C HIS A 107 27.852 -15.600 -0.849 1.00 23.22 C ATOM 1643 O HIS A 107 28.050 -14.584 -1.527 1.00 74.11 O ATOM 1644 CB HIS A 107 25.384 -15.050 -0.420 1.00 53.13 C ATOM 1645 CG HIS A 107 25.028 -15.574 -1.802 1.00 0.43 C ATOM 1646 ND1 HIS A 107 25.161 -14.814 -2.951 1.00 44.43 N ATOM 1647 CD2 HIS A 107 24.570 -16.786 -2.218 1.00 12.51 C ATOM 1648 CE1 HIS A 107 24.820 -15.535 -3.997 1.00 64.43 C ATOM 1649 NE2 HIS A 107 24.454 -16.729 -3.587 1.00 61.24 N ATOM 0 H HIS A 107 26.458 -14.210 1.650 1.00 71.30 H new ATOM 0 HA HIS A 107 26.492 -16.720 0.381 1.00 75.43 H new ATOM 0 HB2 HIS A 107 24.557 -15.254 0.260 1.00 53.13 H new ATOM 0 HB3 HIS A 107 25.497 -13.967 -0.470 1.00 53.13 H new ATOM 0 HD2 HIS A 107 24.340 -17.634 -1.590 1.00 12.51 H new ATOM 0 HE1 HIS A 107 24.838 -15.201 -5.024 1.00 64.43 H new ATOM 0 HE2 HIS A 107 24.136 -17.490 -4.187 1.00 61.24 H new ATOM 1658 N SER A 108 28.629 -16.688 -0.906 1.00 55.24 N ATOM 1659 CA SER A 108 29.822 -16.794 -1.751 1.00 41.30 C ATOM 1660 C SER A 108 29.509 -17.704 -2.960 1.00 52.03 C ATOM 1661 O SER A 108 29.427 -18.927 -2.792 1.00 21.02 O ATOM 1662 CB SER A 108 31.000 -17.351 -0.912 1.00 75.31 C ATOM 1663 OG SER A 108 32.204 -17.394 -1.662 1.00 21.43 O ATOM 0 H SER A 108 28.444 -17.529 -0.360 1.00 55.24 H new ATOM 0 HA SER A 108 30.109 -15.812 -2.127 1.00 41.30 H new ATOM 0 HB2 SER A 108 31.144 -16.729 -0.028 1.00 75.31 H new ATOM 0 HB3 SER A 108 30.754 -18.353 -0.560 1.00 75.31 H new ATOM 0 HG SER A 108 32.926 -17.749 -1.102 1.00 21.43 H new ATOM 1669 N PRO A 109 29.257 -17.127 -4.183 1.00 35.34 N ATOM 1670 CA PRO A 109 29.049 -17.927 -5.413 1.00 4.21 C ATOM 1671 C PRO A 109 30.369 -18.593 -5.865 1.00 5.14 C ATOM 1672 O PRO A 109 31.330 -17.895 -6.212 1.00 74.14 O ATOM 1673 CB PRO A 109 28.530 -16.884 -6.455 1.00 31.10 C ATOM 1674 CG PRO A 109 28.207 -15.650 -5.654 1.00 53.10 C ATOM 1675 CD PRO A 109 29.143 -15.671 -4.471 1.00 43.02 C ATOM 0 HA PRO A 109 28.347 -18.750 -5.276 1.00 4.21 H new ATOM 0 HB2 PRO A 109 29.286 -16.675 -7.212 1.00 31.10 H new ATOM 0 HB3 PRO A 109 27.649 -17.255 -6.978 1.00 31.10 H new ATOM 0 HG2 PRO A 109 28.350 -14.749 -6.250 1.00 53.10 H new ATOM 0 HG3 PRO A 109 27.166 -15.656 -5.329 1.00 53.10 H new ATOM 0 HD2 PRO A 109 30.109 -15.227 -4.709 1.00 43.02 H new ATOM 0 HD3 PRO A 109 28.739 -15.119 -3.623 1.00 43.02 H new ATOM 1683 N GLU A 110 30.419 -19.931 -5.817 1.00 13.45 N ATOM 1684 CA GLU A 110 31.610 -20.707 -6.201 1.00 14.30 C ATOM 1685 C GLU A 110 31.190 -22.124 -6.626 1.00 2.24 C ATOM 1686 O GLU A 110 30.454 -22.796 -5.899 1.00 73.22 O ATOM 1687 CB GLU A 110 32.621 -20.765 -5.017 1.00 61.53 C ATOM 1688 CG GLU A 110 33.985 -21.391 -5.363 1.00 65.11 C ATOM 1689 CD GLU A 110 34.950 -21.432 -4.165 1.00 60.31 C ATOM 1690 OE1 GLU A 110 35.049 -22.483 -3.497 1.00 24.30 O ATOM 1691 OE2 GLU A 110 35.595 -20.405 -3.869 1.00 51.14 O1- ATOM 0 H GLU A 110 29.635 -20.508 -5.511 1.00 13.45 H new ATOM 0 HA GLU A 110 32.100 -20.219 -7.043 1.00 14.30 H new ATOM 0 HB2 GLU A 110 32.785 -19.753 -4.648 1.00 61.53 H new ATOM 0 HB3 GLU A 110 32.172 -21.333 -4.202 1.00 61.53 H new ATOM 0 HG2 GLU A 110 33.830 -22.405 -5.732 1.00 65.11 H new ATOM 0 HG3 GLU A 110 34.444 -20.824 -6.173 1.00 65.11 H new ATOM 1698 N ASP A 111 31.636 -22.567 -7.813 1.00 32.44 N ATOM 1699 CA ASP A 111 31.342 -23.924 -8.326 1.00 40.33 C ATOM 1700 C ASP A 111 32.352 -24.948 -7.752 1.00 55.42 C ATOM 1701 O ASP A 111 31.998 -26.136 -7.620 1.00 60.45 O ATOM 1702 CB ASP A 111 31.349 -23.946 -9.882 1.00 70.11 C ATOM 1703 CG ASP A 111 32.728 -23.651 -10.508 1.00 23.11 C ATOM 1704 OD1 ASP A 111 33.424 -24.601 -10.948 1.00 74.13 O ATOM 1705 OD2 ASP A 111 33.122 -22.464 -10.571 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 33.494 -24.558 -7.417 1.00 37.89 O1- ATOM 0 H ASP A 111 32.206 -22.003 -8.443 1.00 32.44 H new ATOM 0 HA ASP A 111 30.342 -24.206 -7.996 1.00 40.33 H new ATOM 0 HB2 ASP A 111 31.009 -24.924 -10.223 1.00 70.11 H new ATOM 0 HB3 ASP A 111 30.631 -23.213 -10.249 1.00 70.11 H new TER 1711 ASP A 111