USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 612 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 53 GLN : amide:sc= -5.91! K(o=-5.6!,f=-3.3) USER MOD Set 1.2: A 73 THR OG1 : rot -110:sc= 0.349 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0221) USER MOD Set 2.2: A 72 GLN : amide:sc= 0.442 K(o=0.44,f=-3.5!) USER MOD Set 3.1: A 25 THR OG1 : rot 82:sc= 0 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 160:sc= 0.755 (180deg=-1.32) USER MOD Set 3.3: A 75 CYS SG : rot -150:sc= -3.35! USER MOD Single : A 3 SER OG : rot 180:sc= 0.00245 USER MOD Single : A 4 MET CE :methyl 160:sc= -0.288 (180deg=-0.936) USER MOD Single : A 5 THR OG1 : rot 47:sc= 0.0565 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 8 GLN : amide:sc= 0.286 K(o=0.29,f=-4.8!) USER MOD Single : A 9 SER OG : rot 180:sc=0.000993 USER MOD Single : A 10 GLN : amide:sc=-0.00256 K(o=-0.0026,f=-1) USER MOD Single : A 17 ASN : amide:sc= 0.975 K(o=0.97,f=-0.0054) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -71:sc= 0.322 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 34 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 35 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.7!) USER MOD Single : A 36 TYR OH : rot 72:sc= 0.611 USER MOD Single : A 37 SER OG : rot 180:sc= -0.986 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 46 GLN : amide:sc= -0.195 K(o=-0.19,f=-0.85) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -0.0822 (180deg=-0.672) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -0.378 K(o=-0.38,f=-3!) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.148 (180deg=-0.591) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.17) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.518 -6.055 4.299 1.00 72.44 N ATOM 2 CA PRO A 1 -14.946 -4.640 4.277 1.00 63.23 C ATOM 3 C PRO A 1 -13.778 -3.734 3.910 1.00 50.34 C ATOM 4 O PRO A 1 -12.894 -3.489 4.732 1.00 54.34 O ATOM 5 CB PRO A 1 -15.493 -4.269 5.648 1.00 35.02 C ATOM 6 CG PRO A 1 -15.169 -5.454 6.488 1.00 24.21 C ATOM 7 CD PRO A 1 -15.065 -6.629 5.542 1.00 63.42 C ATOM 0 H2 PRO A 1 -13.501 -6.129 4.280 1.00 72.44 H new ATOM 0 H3 PRO A 1 -14.868 -6.555 3.482 1.00 72.44 H new ATOM 0 HA PRO A 1 -15.723 -4.508 3.524 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -15.025 -3.364 6.035 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -16.567 -4.083 5.614 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -14.233 -5.305 7.027 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -15.944 -5.624 7.236 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -14.412 -7.404 5.942 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -16.038 -7.089 5.372 1.00 63.42 H new ATOM 17 N GLY A 2 -13.767 -3.256 2.673 1.00 35.53 N ATOM 18 CA GLY A 2 -12.673 -2.423 2.213 1.00 24.52 C ATOM 19 C GLY A 2 -11.462 -3.241 1.820 1.00 1.40 C ATOM 20 O GLY A 2 -10.516 -3.380 2.599 1.00 22.44 O ATOM 0 H GLY A 2 -14.495 -3.430 1.980 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -13.003 -1.831 1.359 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -12.396 -1.721 3.000 1.00 24.52 H new ATOM 24 N SER A 3 -11.501 -3.799 0.623 1.00 10.13 N ATOM 25 CA SER A 3 -10.403 -4.600 0.117 1.00 12.40 C ATOM 26 C SER A 3 -9.578 -3.808 -0.891 1.00 50.22 C ATOM 27 O SER A 3 -10.098 -2.924 -1.577 1.00 24.11 O ATOM 28 CB SER A 3 -10.948 -5.872 -0.530 1.00 44.31 C ATOM 29 OG SER A 3 -11.994 -5.567 -1.440 1.00 54.01 O ATOM 0 H SER A 3 -12.288 -3.710 -0.020 1.00 10.13 H new ATOM 0 HA SER A 3 -9.755 -4.871 0.950 1.00 12.40 H new ATOM 0 HB2 SER A 3 -10.145 -6.392 -1.053 1.00 44.31 H new ATOM 0 HB3 SER A 3 -11.317 -6.548 0.241 1.00 44.31 H new ATOM 0 HG SER A 3 -12.328 -6.395 -1.844 1.00 54.01 H new ATOM 35 N MET A 4 -8.289 -4.114 -0.963 1.00 64.30 N ATOM 36 CA MET A 4 -7.411 -3.489 -1.944 1.00 73.21 C ATOM 37 C MET A 4 -7.640 -4.090 -3.327 1.00 42.35 C ATOM 38 O MET A 4 -7.308 -3.479 -4.342 1.00 54.24 O ATOM 39 CB MET A 4 -5.940 -3.650 -1.542 1.00 72.52 C ATOM 40 CG MET A 4 -5.495 -5.101 -1.411 1.00 21.33 C ATOM 41 SD MET A 4 -3.771 -5.257 -0.901 1.00 14.12 S ATOM 42 CE MET A 4 -3.798 -4.356 0.650 1.00 12.30 C ATOM 0 H MET A 4 -7.828 -4.791 -0.354 1.00 64.30 H new ATOM 0 HA MET A 4 -7.648 -2.426 -1.977 1.00 73.21 H new ATOM 0 HB2 MET A 4 -5.314 -3.153 -2.283 1.00 72.52 H new ATOM 0 HB3 MET A 4 -5.775 -3.142 -0.592 1.00 72.52 H new ATOM 0 HG2 MET A 4 -6.132 -5.608 -0.686 1.00 21.33 H new ATOM 0 HG3 MET A 4 -5.634 -5.607 -2.366 1.00 21.33 H new ATOM 0 HE1 MET A 4 -2.939 -4.647 1.255 1.00 12.30 H new ATOM 0 HE2 MET A 4 -3.754 -3.285 0.450 1.00 12.30 H new ATOM 0 HE3 MET A 4 -4.717 -4.587 1.189 1.00 12.30 H new ATOM 52 N THR A 5 -8.211 -5.291 -3.353 1.00 5.32 N ATOM 53 CA THR A 5 -8.497 -5.983 -4.599 1.00 22.53 C ATOM 54 C THR A 5 -9.720 -5.383 -5.285 1.00 65.22 C ATOM 55 O THR A 5 -10.848 -5.512 -4.801 1.00 62.04 O ATOM 56 CB THR A 5 -8.723 -7.487 -4.342 1.00 42.10 C ATOM 57 OG1 THR A 5 -9.516 -7.665 -3.160 1.00 71.41 O ATOM 58 CG2 THR A 5 -7.393 -8.215 -4.183 1.00 53.01 C ATOM 0 H THR A 5 -8.485 -5.806 -2.516 1.00 5.32 H new ATOM 0 HA THR A 5 -7.636 -5.862 -5.256 1.00 22.53 H new ATOM 0 HB THR A 5 -9.248 -7.908 -5.200 1.00 42.10 H new ATOM 0 HG1 THR A 5 -10.287 -7.061 -3.190 1.00 71.41 H new ATOM 0 HG21 THR A 5 -7.577 -9.274 -4.003 1.00 53.01 H new ATOM 0 HG22 THR A 5 -6.804 -8.099 -5.093 1.00 53.01 H new ATOM 0 HG23 THR A 5 -6.846 -7.793 -3.340 1.00 53.01 H new ATOM 66 N VAL A 6 -9.487 -4.712 -6.401 1.00 4.20 N ATOM 67 CA VAL A 6 -10.557 -4.055 -7.131 1.00 13.52 C ATOM 68 C VAL A 6 -10.923 -4.840 -8.389 1.00 40.55 C ATOM 69 O VAL A 6 -10.053 -5.359 -9.093 1.00 4.41 O ATOM 70 CB VAL A 6 -10.172 -2.599 -7.500 1.00 75.41 C ATOM 71 CG1 VAL A 6 -8.943 -2.563 -8.399 1.00 44.14 C ATOM 72 CG2 VAL A 6 -11.344 -1.876 -8.152 1.00 12.15 C ATOM 0 H VAL A 6 -8.564 -4.608 -6.822 1.00 4.20 H new ATOM 0 HA VAL A 6 -11.429 -4.023 -6.477 1.00 13.52 H new ATOM 0 HB VAL A 6 -9.923 -2.077 -6.576 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -8.699 -1.528 -8.640 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -8.101 -3.024 -7.883 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -9.149 -3.111 -9.319 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -11.049 -0.857 -8.402 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -11.636 -2.402 -9.061 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -12.186 -1.851 -7.461 1.00 12.15 H new ATOM 82 N THR A 7 -12.217 -4.961 -8.632 1.00 31.41 N ATOM 83 CA THR A 7 -12.722 -5.615 -9.825 1.00 35.31 C ATOM 84 C THR A 7 -13.417 -4.585 -10.716 1.00 31.42 C ATOM 85 O THR A 7 -13.481 -3.406 -10.370 1.00 72.04 O ATOM 86 CB THR A 7 -13.703 -6.756 -9.464 1.00 54.51 C ATOM 87 OG1 THR A 7 -14.026 -7.529 -10.631 1.00 5.41 O ATOM 88 CG2 THR A 7 -14.982 -6.204 -8.845 1.00 10.33 C ATOM 0 H THR A 7 -12.944 -4.609 -8.009 1.00 31.41 H new ATOM 0 HA THR A 7 -11.881 -6.054 -10.362 1.00 35.31 H new ATOM 0 HB THR A 7 -13.211 -7.398 -8.733 1.00 54.51 H new ATOM 0 HG1 THR A 7 -14.646 -8.248 -10.386 1.00 5.41 H new ATOM 0 HG21 THR A 7 -15.653 -7.028 -8.601 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.738 -5.653 -7.936 1.00 10.33 H new ATOM 0 HG23 THR A 7 -15.470 -5.536 -9.554 1.00 10.33 H new ATOM 96 N GLN A 8 -13.929 -5.027 -11.859 1.00 3.23 N ATOM 97 CA GLN A 8 -14.668 -4.148 -12.750 1.00 50.02 C ATOM 98 C GLN A 8 -15.943 -3.658 -12.061 1.00 1.14 C ATOM 99 O GLN A 8 -16.858 -4.441 -11.790 1.00 72.35 O ATOM 100 CB GLN A 8 -14.997 -4.876 -14.062 1.00 43.14 C ATOM 101 CG GLN A 8 -15.878 -4.083 -15.021 1.00 33.25 C ATOM 102 CD GLN A 8 -15.328 -2.705 -15.341 1.00 53.30 C ATOM 103 OE1 GLN A 8 -15.647 -1.730 -14.664 1.00 54.41 O ATOM 104 NE2 GLN A 8 -14.510 -2.613 -16.377 1.00 54.35 N ATOM 0 H GLN A 8 -13.845 -5.989 -12.188 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.052 -3.281 -12.989 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.064 -5.126 -14.568 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -15.494 -5.817 -13.826 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -15.992 -4.645 -15.948 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -16.872 -3.978 -14.587 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.270 -3.447 -16.913 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -14.119 -1.708 -16.639 1.00 54.35 H new ATOM 113 N SER A 9 -15.980 -2.361 -11.769 1.00 52.14 N ATOM 114 CA SER A 9 -17.103 -1.741 -11.076 1.00 2.52 C ATOM 115 C SER A 9 -18.413 -1.968 -11.825 1.00 0.31 C ATOM 116 O SER A 9 -19.470 -2.130 -11.211 1.00 54.11 O ATOM 117 CB SER A 9 -16.843 -0.241 -10.920 1.00 33.54 C ATOM 118 OG SER A 9 -15.549 -0.011 -10.392 1.00 75.12 O ATOM 0 H SER A 9 -15.231 -1.711 -12.007 1.00 52.14 H new ATOM 0 HA SER A 9 -17.196 -2.203 -10.093 1.00 2.52 H new ATOM 0 HB2 SER A 9 -16.940 0.253 -11.887 1.00 33.54 H new ATOM 0 HB3 SER A 9 -17.593 0.197 -10.262 1.00 33.54 H new ATOM 0 HG SER A 9 -15.400 0.953 -10.301 1.00 75.12 H new ATOM 124 N GLN A 10 -18.335 -1.993 -13.151 1.00 65.43 N ATOM 125 CA GLN A 10 -19.508 -2.224 -13.984 1.00 50.30 C ATOM 126 C GLN A 10 -20.034 -3.644 -13.788 1.00 24.22 C ATOM 127 O GLN A 10 -21.242 -3.872 -13.764 1.00 13.03 O ATOM 128 CB GLN A 10 -19.163 -1.988 -15.456 1.00 3.51 C ATOM 129 CG GLN A 10 -20.347 -2.136 -16.396 1.00 31.21 C ATOM 130 CD GLN A 10 -19.938 -2.097 -17.854 1.00 30.13 C ATOM 131 OE1 GLN A 10 -18.838 -2.513 -18.212 1.00 43.14 O ATOM 132 NE2 GLN A 10 -20.815 -1.588 -18.701 1.00 21.05 N ATOM 0 H GLN A 10 -17.469 -1.856 -13.672 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.288 -1.523 -13.686 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.747 -0.986 -15.566 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -18.385 -2.691 -15.754 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -20.855 -3.078 -16.190 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -21.063 -1.338 -16.201 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -21.717 -1.254 -18.362 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -20.590 -1.529 -19.694 1.00 21.05 H new ATOM 141 N LEU A 11 -19.117 -4.589 -13.625 1.00 1.21 N ATOM 142 CA LEU A 11 -19.479 -5.988 -13.449 1.00 12.41 C ATOM 143 C LEU A 11 -20.114 -6.178 -12.073 1.00 54.11 C ATOM 144 O LEU A 11 -21.116 -6.877 -11.928 1.00 71.13 O ATOM 145 CB LEU A 11 -18.234 -6.874 -13.605 1.00 53.43 C ATOM 146 CG LEU A 11 -18.479 -8.308 -14.098 1.00 4.24 C ATOM 147 CD1 LEU A 11 -17.160 -8.972 -14.453 1.00 55.21 C ATOM 148 CD2 LEU A 11 -19.206 -9.139 -13.054 1.00 61.15 C ATOM 0 H LEU A 11 -18.113 -4.410 -13.611 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.202 -6.280 -14.211 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.551 -6.385 -14.299 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -17.727 -6.925 -12.641 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.109 -8.250 -14.986 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -17.346 -9.988 -14.801 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -16.667 -8.403 -15.241 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -16.519 -9.002 -13.572 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -19.363 -10.148 -13.436 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -18.608 -9.185 -12.144 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -20.170 -8.682 -12.832 1.00 61.15 H new ATOM 160 N GLU A 12 -19.526 -5.529 -11.072 1.00 14.13 N ATOM 161 CA GLU A 12 -20.061 -5.540 -9.714 1.00 13.33 C ATOM 162 C GLU A 12 -21.488 -4.990 -9.719 1.00 23.45 C ATOM 163 O GLU A 12 -22.409 -5.604 -9.176 1.00 35.24 O ATOM 164 CB GLU A 12 -19.142 -4.705 -8.807 1.00 72.23 C ATOM 165 CG GLU A 12 -19.401 -4.852 -7.310 1.00 2.41 C ATOM 166 CD GLU A 12 -20.537 -3.983 -6.801 1.00 74.31 C ATOM 167 OE1 GLU A 12 -20.831 -2.945 -7.428 1.00 33.12 O ATOM 168 OE2 GLU A 12 -21.135 -4.329 -5.759 1.00 23.41 O ATOM 0 H GLU A 12 -18.670 -4.984 -11.178 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.096 -6.559 -9.329 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.108 -4.983 -9.010 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.249 -3.654 -9.077 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -19.626 -5.895 -7.090 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.491 -4.601 -6.766 1.00 2.41 H new ATOM 175 N LEU A 13 -21.656 -3.847 -10.372 1.00 24.43 N ATOM 176 CA LEU A 13 -22.960 -3.214 -10.519 1.00 1.43 C ATOM 177 C LEU A 13 -23.933 -4.134 -11.254 1.00 31.21 C ATOM 178 O LEU A 13 -25.117 -4.198 -10.919 1.00 4.34 O ATOM 179 CB LEU A 13 -22.796 -1.880 -11.262 1.00 73.45 C ATOM 180 CG LEU A 13 -24.088 -1.183 -11.709 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.921 0.326 -11.642 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.457 -1.601 -13.130 1.00 50.21 C ATOM 0 H LEU A 13 -20.893 -3.334 -10.814 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.377 -3.022 -9.531 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.244 -1.196 -10.617 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.179 -2.054 -12.144 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.891 -1.483 -11.036 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.844 0.809 -11.962 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.692 0.622 -10.618 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.106 0.631 -12.298 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.376 -1.097 -13.431 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.652 -1.325 -13.811 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.607 -2.680 -13.164 1.00 50.21 H new ATOM 194 N LEU A 14 -23.424 -4.847 -12.250 1.00 72.01 N ATOM 195 CA LEU A 14 -24.244 -5.750 -13.046 1.00 3.52 C ATOM 196 C LEU A 14 -24.821 -6.850 -12.155 1.00 71.02 C ATOM 197 O LEU A 14 -26.020 -7.125 -12.195 1.00 70.32 O ATOM 198 CB LEU A 14 -23.405 -6.347 -14.192 1.00 33.20 C ATOM 199 CG LEU A 14 -24.181 -6.932 -15.385 1.00 40.12 C ATOM 200 CD1 LEU A 14 -24.878 -8.234 -15.019 1.00 54.01 C ATOM 201 CD2 LEU A 14 -25.189 -5.919 -15.909 1.00 11.21 C ATOM 0 H LEU A 14 -22.443 -4.817 -12.527 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.074 -5.196 -13.484 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -22.740 -5.569 -14.567 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -22.774 -7.134 -13.778 1.00 33.20 H new ATOM 0 HG LEU A 14 -23.460 -7.154 -16.171 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.415 -8.616 -15.887 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -24.136 -8.966 -14.700 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -25.583 -8.054 -14.207 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -25.730 -6.347 -16.753 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -25.894 -5.664 -15.118 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -24.666 -5.019 -16.233 1.00 11.21 H new ATOM 213 N ILE A 15 -23.970 -7.458 -11.334 1.00 13.25 N ATOM 214 CA ILE A 15 -24.411 -8.501 -10.415 1.00 24.23 C ATOM 215 C ILE A 15 -25.396 -7.935 -9.395 1.00 61.32 C ATOM 216 O ILE A 15 -26.388 -8.578 -9.062 1.00 75.31 O ATOM 217 CB ILE A 15 -23.224 -9.157 -9.676 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.243 -9.755 -10.687 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.721 -10.230 -8.711 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.009 -10.360 -10.056 1.00 63.52 C ATOM 0 H ILE A 15 -22.973 -7.247 -11.287 1.00 13.25 H new ATOM 0 HA ILE A 15 -24.904 -9.267 -11.013 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.706 -8.392 -9.097 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.756 -10.522 -11.267 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -21.938 -8.977 -11.387 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.871 -10.681 -8.199 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.388 -9.778 -7.977 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.259 -10.998 -9.267 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -20.362 -10.763 -10.835 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.471 -9.592 -9.499 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.303 -11.161 -9.378 1.00 63.52 H new ATOM 232 N ARG A 16 -25.124 -6.725 -8.916 1.00 32.24 N ATOM 233 CA ARG A 16 -26.018 -6.057 -7.974 1.00 15.30 C ATOM 234 C ARG A 16 -27.394 -5.822 -8.591 1.00 74.23 C ATOM 235 O ARG A 16 -28.409 -5.880 -7.904 1.00 15.23 O ATOM 236 CB ARG A 16 -25.438 -4.716 -7.533 1.00 23.14 C ATOM 237 CG ARG A 16 -24.195 -4.818 -6.676 1.00 71.35 C ATOM 238 CD ARG A 16 -24.484 -5.448 -5.328 1.00 63.11 C ATOM 239 NE ARG A 16 -23.312 -5.398 -4.457 1.00 73.55 N ATOM 240 CZ ARG A 16 -23.259 -5.926 -3.236 1.00 72.42 C ATOM 241 NH1 ARG A 16 -24.315 -6.551 -2.733 1.00 4.32 N ATOM 242 NH2 ARG A 16 -22.145 -5.833 -2.524 1.00 75.13 N ATOM 0 H ARG A 16 -24.293 -6.187 -9.164 1.00 32.24 H new ATOM 0 HA ARG A 16 -26.121 -6.712 -7.109 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -25.204 -4.127 -8.420 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -26.201 -4.169 -6.979 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -23.442 -5.409 -7.198 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -23.774 -3.824 -6.528 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.316 -4.929 -4.852 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.793 -6.484 -5.467 1.00 63.11 H new ATOM 0 HE ARG A 16 -22.478 -4.927 -4.808 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -25.171 -6.628 -3.282 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -24.271 -6.954 -1.797 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -21.330 -5.357 -2.912 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -22.103 -6.237 -1.588 1.00 75.13 H new ATOM 256 N ASN A 17 -27.420 -5.533 -9.883 1.00 21.01 N ATOM 257 CA ASN A 17 -28.678 -5.302 -10.585 1.00 71.44 C ATOM 258 C ASN A 17 -29.395 -6.616 -10.864 1.00 24.13 C ATOM 259 O ASN A 17 -30.628 -6.677 -10.858 1.00 64.41 O ATOM 260 CB ASN A 17 -28.435 -4.533 -11.886 1.00 22.11 C ATOM 261 CG ASN A 17 -28.419 -3.030 -11.678 1.00 54.33 C ATOM 262 OD1 ASN A 17 -29.434 -2.358 -11.856 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.273 -2.495 -11.289 1.00 64.22 N ATOM 0 H ASN A 17 -26.588 -5.452 -10.467 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.318 -4.698 -9.942 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.485 -4.847 -12.318 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.212 -4.789 -12.606 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.209 -1.490 -11.125 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.454 -3.087 -11.153 1.00 64.22 H new ATOM 270 N ALA A 18 -28.623 -7.667 -11.106 1.00 24.13 N ATOM 271 CA ALA A 18 -29.185 -8.993 -11.317 1.00 52.44 C ATOM 272 C ALA A 18 -29.735 -9.545 -10.007 1.00 63.32 C ATOM 273 O ALA A 18 -30.867 -10.027 -9.946 1.00 53.11 O ATOM 274 CB ALA A 18 -28.133 -9.928 -11.897 1.00 44.34 C ATOM 0 H ALA A 18 -27.605 -7.626 -11.161 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.005 -8.918 -12.031 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -28.568 -10.916 -12.049 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -27.783 -9.535 -12.851 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.293 -10.004 -11.206 1.00 44.34 H new ATOM 280 N PHE A 19 -28.931 -9.457 -8.960 1.00 32.44 N ATOM 281 CA PHE A 19 -29.332 -9.896 -7.634 1.00 64.45 C ATOM 282 C PHE A 19 -28.917 -8.849 -6.602 1.00 11.13 C ATOM 283 O PHE A 19 -27.765 -8.815 -6.166 1.00 74.13 O ATOM 284 CB PHE A 19 -28.696 -11.248 -7.294 1.00 5.30 C ATOM 285 CG PHE A 19 -29.037 -12.355 -8.253 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.258 -13.006 -8.177 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.133 -12.746 -9.229 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.570 -14.026 -9.056 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.440 -13.766 -10.109 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.660 -14.406 -10.023 1.00 4.25 C ATOM 0 H PHE A 19 -27.984 -9.080 -9.005 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.415 -10.014 -7.617 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.613 -11.129 -7.266 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -29.010 -11.542 -6.293 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.973 -12.713 -7.423 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.178 -12.247 -9.302 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.525 -14.526 -8.987 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.726 -14.062 -10.863 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.903 -15.203 -10.711 1.00 4.25 H new ATOM 300 N PRO A 20 -29.848 -7.966 -6.211 1.00 74.32 N ATOM 301 CA PRO A 20 -29.549 -6.847 -5.305 1.00 62.04 C ATOM 302 C PRO A 20 -29.184 -7.305 -3.895 1.00 53.13 C ATOM 303 O PRO A 20 -28.560 -6.566 -3.132 1.00 3.14 O ATOM 304 CB PRO A 20 -30.852 -6.043 -5.286 1.00 73.25 C ATOM 305 CG PRO A 20 -31.911 -7.015 -5.675 1.00 43.34 C ATOM 306 CD PRO A 20 -31.260 -7.976 -6.631 1.00 54.10 C ATOM 0 HA PRO A 20 -28.683 -6.278 -5.645 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.044 -5.625 -4.298 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.809 -5.206 -5.983 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.301 -7.538 -4.802 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -32.753 -6.507 -6.145 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.695 -8.973 -6.558 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.374 -7.654 -7.666 1.00 54.10 H new ATOM 314 N GLU A 21 -29.574 -8.521 -3.551 1.00 43.25 N ATOM 315 CA GLU A 21 -29.270 -9.074 -2.243 1.00 14.45 C ATOM 316 C GLU A 21 -28.154 -10.104 -2.339 1.00 61.52 C ATOM 317 O GLU A 21 -27.942 -10.896 -1.419 1.00 44.12 O ATOM 318 CB GLU A 21 -30.519 -9.698 -1.626 1.00 73.54 C ATOM 319 CG GLU A 21 -31.551 -8.671 -1.199 1.00 25.00 C ATOM 320 CD GLU A 21 -32.836 -9.300 -0.713 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.817 -9.964 0.345 1.00 2.14 O ATOM 322 OE2 GLU A 21 -33.870 -9.130 -1.392 1.00 31.02 O ATOM 0 H GLU A 21 -30.103 -9.145 -4.161 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.931 -8.263 -1.599 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.971 -10.380 -2.347 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.230 -10.295 -0.761 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.133 -8.050 -0.406 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -31.770 -8.011 -2.039 1.00 25.00 H new ATOM 329 N ALA A 22 -27.447 -10.095 -3.460 1.00 13.31 N ATOM 330 CA ALA A 22 -26.297 -10.960 -3.627 1.00 45.34 C ATOM 331 C ALA A 22 -25.026 -10.206 -3.282 1.00 74.40 C ATOM 332 O ALA A 22 -24.797 -9.102 -3.773 1.00 53.45 O ATOM 333 CB ALA A 22 -26.230 -11.495 -5.046 1.00 43.43 C ATOM 0 H ALA A 22 -27.652 -9.499 -4.262 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.397 -11.808 -2.950 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.359 -12.142 -5.150 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.134 -12.065 -5.263 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.149 -10.663 -5.745 1.00 43.43 H new ATOM 339 N GLU A 23 -24.212 -10.803 -2.433 1.00 31.23 N ATOM 340 CA GLU A 23 -22.971 -10.194 -2.004 1.00 5.24 C ATOM 341 C GLU A 23 -21.850 -10.579 -2.964 1.00 11.04 C ATOM 342 O GLU A 23 -21.632 -11.766 -3.237 1.00 5.32 O ATOM 343 CB GLU A 23 -22.636 -10.635 -0.576 1.00 2.23 C ATOM 344 CG GLU A 23 -21.503 -9.845 0.063 1.00 32.11 C ATOM 345 CD GLU A 23 -21.789 -8.358 0.114 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.475 -7.905 1.053 1.00 2.10 O ATOM 347 OE2 GLU A 23 -21.330 -7.633 -0.789 1.00 74.04 O ATOM 0 H GLU A 23 -24.392 -11.720 -2.024 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.080 -9.109 -2.011 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.528 -10.537 0.043 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -22.369 -11.692 -0.586 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -21.333 -10.214 1.074 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.584 -10.016 -0.498 1.00 32.11 H new ATOM 354 N ILE A 24 -21.157 -9.570 -3.477 1.00 13.41 N ATOM 355 CA ILE A 24 -20.090 -9.777 -4.446 1.00 74.24 C ATOM 356 C ILE A 24 -18.762 -10.006 -3.733 1.00 61.32 C ATOM 357 O ILE A 24 -18.219 -9.091 -3.113 1.00 75.31 O ATOM 358 CB ILE A 24 -19.906 -8.553 -5.378 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.191 -7.716 -5.487 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.444 -9.004 -6.759 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.328 -8.382 -6.231 1.00 33.11 C ATOM 0 H ILE A 24 -21.318 -8.592 -3.235 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.376 -10.647 -5.037 1.00 74.24 H new ATOM 0 HB ILE A 24 -19.140 -7.916 -4.937 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -21.531 -7.468 -4.482 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -20.953 -6.776 -5.984 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.319 -8.134 -7.403 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.493 -9.530 -6.671 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -20.189 -9.672 -7.192 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.189 -7.713 -6.254 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.014 -8.605 -7.251 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.601 -9.308 -5.725 1.00 33.11 H new ATOM 373 N THR A 25 -18.240 -11.219 -3.808 1.00 14.02 N ATOM 374 CA THR A 25 -16.919 -11.495 -3.264 1.00 54.43 C ATOM 375 C THR A 25 -15.943 -11.829 -4.383 1.00 60.33 C ATOM 376 O THR A 25 -15.980 -12.918 -4.944 1.00 24.53 O ATOM 377 CB THR A 25 -16.944 -12.670 -2.272 1.00 3.22 C ATOM 378 OG1 THR A 25 -18.044 -12.532 -1.365 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.642 -12.737 -1.487 1.00 30.53 C ATOM 0 H THR A 25 -18.704 -12.021 -4.235 1.00 14.02 H new ATOM 0 HA THR A 25 -16.599 -10.596 -2.738 1.00 54.43 H new ATOM 0 HB THR A 25 -17.061 -13.592 -2.841 1.00 3.22 H new ATOM 0 HG1 THR A 25 -18.862 -12.863 -1.790 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.680 -13.575 -0.791 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.809 -12.875 -2.176 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.504 -11.809 -0.931 1.00 30.53 H new ATOM 387 N VAL A 26 -15.065 -10.897 -4.703 1.00 74.44 N ATOM 388 CA VAL A 26 -14.071 -11.129 -5.736 1.00 13.43 C ATOM 389 C VAL A 26 -12.749 -11.535 -5.101 1.00 70.34 C ATOM 390 O VAL A 26 -12.058 -10.717 -4.498 1.00 52.34 O ATOM 391 CB VAL A 26 -13.865 -9.885 -6.626 1.00 24.42 C ATOM 392 CG1 VAL A 26 -12.861 -10.169 -7.734 1.00 41.35 C ATOM 393 CG2 VAL A 26 -15.192 -9.423 -7.211 1.00 35.24 C ATOM 0 H VAL A 26 -15.019 -9.977 -4.266 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.437 -11.935 -6.372 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.464 -9.085 -6.004 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -12.734 -9.277 -8.347 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -11.903 -10.447 -7.294 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -13.226 -10.987 -8.355 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -15.028 -8.545 -7.836 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -15.622 -10.223 -7.814 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -15.878 -9.170 -6.402 1.00 35.24 H new ATOM 403 N THR A 27 -12.417 -12.808 -5.224 1.00 53.51 N ATOM 404 CA THR A 27 -11.229 -13.344 -4.592 1.00 3.34 C ATOM 405 C THR A 27 -10.177 -13.695 -5.639 1.00 43.20 C ATOM 406 O THR A 27 -10.504 -14.059 -6.773 1.00 52.12 O ATOM 407 CB THR A 27 -11.567 -14.588 -3.735 1.00 60.22 C ATOM 408 OG1 THR A 27 -10.397 -15.075 -3.064 1.00 55.14 O ATOM 409 CG2 THR A 27 -12.167 -15.702 -4.583 1.00 63.14 C ATOM 0 H THR A 27 -12.956 -13.490 -5.758 1.00 53.51 H new ATOM 0 HA THR A 27 -10.825 -12.575 -3.933 1.00 3.34 H new ATOM 0 HB THR A 27 -12.305 -14.280 -2.994 1.00 60.22 H new ATOM 0 HG1 THR A 27 -10.631 -15.860 -2.526 1.00 55.14 H new ATOM 0 HG21 THR A 27 -12.392 -16.560 -3.950 1.00 63.14 H new ATOM 0 HG22 THR A 27 -13.084 -15.347 -5.054 1.00 63.14 H new ATOM 0 HG23 THR A 27 -11.454 -15.997 -5.353 1.00 63.14 H new ATOM 417 N SER A 28 -8.919 -13.553 -5.263 1.00 23.54 N ATOM 418 CA SER A 28 -7.820 -13.911 -6.136 1.00 22.03 C ATOM 419 C SER A 28 -7.335 -15.316 -5.801 1.00 14.30 C ATOM 420 O SER A 28 -7.233 -15.680 -4.627 1.00 32.51 O ATOM 421 CB SER A 28 -6.681 -12.904 -5.979 1.00 23.21 C ATOM 422 OG SER A 28 -7.159 -11.572 -6.104 1.00 51.11 O ATOM 0 H SER A 28 -8.634 -13.190 -4.353 1.00 23.54 H new ATOM 0 HA SER A 28 -8.161 -13.893 -7.171 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.207 -13.034 -5.006 1.00 23.21 H new ATOM 0 HB3 SER A 28 -5.917 -13.093 -6.734 1.00 23.21 H new ATOM 0 HG SER A 28 -7.400 -11.397 -7.038 1.00 51.11 H new ATOM 428 N LEU A 29 -7.057 -16.108 -6.824 1.00 60.25 N ATOM 429 CA LEU A 29 -6.576 -17.463 -6.618 1.00 24.55 C ATOM 430 C LEU A 29 -5.175 -17.433 -6.024 1.00 12.10 C ATOM 431 O LEU A 29 -4.347 -16.612 -6.422 1.00 65.12 O ATOM 432 CB LEU A 29 -6.575 -18.255 -7.933 1.00 52.33 C ATOM 433 CG LEU A 29 -7.951 -18.710 -8.440 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.809 -17.526 -8.864 1.00 71.35 C ATOM 435 CD2 LEU A 29 -7.790 -19.679 -9.596 1.00 60.32 C ATOM 0 H LEU A 29 -7.156 -15.836 -7.802 1.00 60.25 H new ATOM 0 HA LEU A 29 -7.251 -17.962 -5.923 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.109 -17.642 -8.704 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -5.947 -19.136 -7.804 1.00 52.33 H new ATOM 0 HG LEU A 29 -8.459 -19.214 -7.618 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.776 -17.885 -9.217 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.958 -16.861 -8.013 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.309 -16.983 -9.666 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.773 -19.994 -9.946 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -7.255 -19.189 -10.409 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -7.226 -20.551 -9.264 1.00 60.32 H new ATOM 447 N VAL A 30 -4.922 -18.311 -5.062 1.00 4.40 N ATOM 448 CA VAL A 30 -3.621 -18.379 -4.409 1.00 1.44 C ATOM 449 C VAL A 30 -2.517 -18.768 -5.397 1.00 64.14 C ATOM 450 O VAL A 30 -2.238 -19.945 -5.621 1.00 15.34 O ATOM 451 CB VAL A 30 -3.634 -19.350 -3.204 1.00 71.32 C ATOM 452 CG1 VAL A 30 -4.428 -18.750 -2.051 1.00 52.04 C ATOM 453 CG2 VAL A 30 -4.212 -20.707 -3.590 1.00 30.41 C ATOM 0 H VAL A 30 -5.602 -18.988 -4.716 1.00 4.40 H new ATOM 0 HA VAL A 30 -3.405 -17.379 -4.032 1.00 1.44 H new ATOM 0 HB VAL A 30 -2.602 -19.502 -2.886 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -4.429 -19.444 -1.210 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -3.971 -17.809 -1.745 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -5.454 -18.567 -2.372 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -4.207 -21.365 -2.721 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -5.236 -20.580 -3.942 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -3.608 -21.148 -4.383 1.00 30.41 H new ATOM 463 N GLY A 31 -1.900 -17.762 -5.999 1.00 42.32 N ATOM 464 CA GLY A 31 -0.858 -18.003 -6.976 1.00 63.24 C ATOM 465 C GLY A 31 -1.201 -17.419 -8.331 1.00 24.53 C ATOM 466 O GLY A 31 -0.346 -17.329 -9.211 1.00 24.33 O ATOM 0 H GLY A 31 -2.104 -16.777 -5.827 1.00 42.32 H new ATOM 0 HA2 GLY A 31 0.078 -17.570 -6.622 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -0.696 -19.076 -7.075 1.00 63.24 H new ATOM 470 N ASP A 32 -2.451 -17.009 -8.493 1.00 54.21 N ATOM 471 CA ASP A 32 -2.921 -16.431 -9.745 1.00 24.22 C ATOM 472 C ASP A 32 -3.450 -15.022 -9.522 1.00 21.34 C ATOM 473 O ASP A 32 -4.550 -14.839 -9.008 1.00 50.54 O ATOM 474 CB ASP A 32 -4.017 -17.299 -10.370 1.00 33.31 C ATOM 475 CG ASP A 32 -3.476 -18.341 -11.324 1.00 63.05 C ATOM 476 OD1 ASP A 32 -2.800 -19.287 -10.868 1.00 1.50 O ATOM 477 OD2 ASP A 32 -3.728 -18.221 -12.542 1.00 71.24 O ATOM 0 H ASP A 32 -3.164 -17.067 -7.766 1.00 54.21 H new ATOM 0 HA ASP A 32 -2.073 -16.388 -10.429 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -4.575 -17.796 -9.577 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -4.721 -16.658 -10.902 1.00 33.31 H new ATOM 482 N ASN A 33 -2.661 -14.027 -9.902 1.00 11.01 N ATOM 483 CA ASN A 33 -3.067 -12.632 -9.753 1.00 33.31 C ATOM 484 C ASN A 33 -3.880 -12.185 -10.961 1.00 73.15 C ATOM 485 O ASN A 33 -4.529 -11.142 -10.937 1.00 35.41 O ATOM 486 CB ASN A 33 -1.841 -11.723 -9.588 1.00 23.21 C ATOM 487 CG ASN A 33 -1.140 -11.418 -10.906 1.00 63.34 C ATOM 488 OD1 ASN A 33 -1.442 -10.421 -11.568 1.00 61.15 O ATOM 489 ND2 ASN A 33 -0.199 -12.267 -11.299 1.00 30.04 N ATOM 0 H ASN A 33 -1.737 -14.157 -10.315 1.00 11.01 H new ATOM 0 HA ASN A 33 -3.684 -12.553 -8.858 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.150 -10.787 -9.123 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -1.133 -12.198 -8.908 1.00 23.21 H new ATOM 0 HD21 ASN A 33 0.301 -12.106 -12.174 1.00 30.04 H new ATOM 0 HD22 ASN A 33 0.025 -13.081 -10.727 1.00 30.04 H new ATOM 496 N ASN A 34 -3.830 -12.982 -12.020 1.00 61.41 N ATOM 497 CA ASN A 34 -4.527 -12.658 -13.258 1.00 4.13 C ATOM 498 C ASN A 34 -5.946 -13.209 -13.223 1.00 1.44 C ATOM 499 O ASN A 34 -6.904 -12.513 -13.555 1.00 40.12 O ATOM 500 CB ASN A 34 -3.761 -13.230 -14.456 1.00 53.13 C ATOM 501 CG ASN A 34 -4.233 -12.699 -15.799 1.00 60.20 C ATOM 502 OD1 ASN A 34 -5.408 -12.383 -15.996 1.00 22.32 O ATOM 503 ND2 ASN A 34 -3.305 -12.588 -16.735 1.00 24.41 N ATOM 0 H ASN A 34 -3.312 -13.860 -12.047 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.579 -11.574 -13.361 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -2.701 -13.003 -14.339 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -3.857 -14.316 -14.451 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -3.552 -12.230 -17.658 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -2.343 -12.860 -16.534 1.00 24.41 H new ATOM 510 N HIS A 35 -6.076 -14.458 -12.800 1.00 11.54 N ATOM 511 CA HIS A 35 -7.378 -15.108 -12.739 1.00 21.41 C ATOM 512 C HIS A 35 -8.081 -14.776 -11.429 1.00 54.15 C ATOM 513 O HIS A 35 -7.519 -14.963 -10.350 1.00 54.44 O ATOM 514 CB HIS A 35 -7.236 -16.627 -12.880 1.00 25.33 C ATOM 515 CG HIS A 35 -6.728 -17.072 -14.220 1.00 13.33 C ATOM 516 ND1 HIS A 35 -5.516 -17.704 -14.392 1.00 35.21 N ATOM 517 CD2 HIS A 35 -7.280 -16.985 -15.453 1.00 50.13 C ATOM 518 CE1 HIS A 35 -5.343 -17.984 -15.670 1.00 24.43 C ATOM 519 NE2 HIS A 35 -6.398 -17.560 -16.336 1.00 23.03 N ATOM 0 H HIS A 35 -5.297 -15.041 -12.494 1.00 11.54 H new ATOM 0 HA HIS A 35 -7.978 -14.734 -13.569 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -6.559 -16.991 -12.107 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -8.206 -17.090 -12.699 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -4.855 -17.922 -13.647 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -8.236 -16.545 -15.697 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -4.483 -18.477 -16.098 1.00 24.43 H new ATOM 528 N TYR A 36 -9.302 -14.274 -11.528 1.00 43.33 N ATOM 529 CA TYR A 36 -10.097 -13.964 -10.353 1.00 71.31 C ATOM 530 C TYR A 36 -11.361 -14.807 -10.349 1.00 40.50 C ATOM 531 O TYR A 36 -11.846 -15.215 -11.404 1.00 24.43 O ATOM 532 CB TYR A 36 -10.487 -12.486 -10.325 1.00 22.12 C ATOM 533 CG TYR A 36 -9.321 -11.525 -10.398 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.415 -11.415 -9.350 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.138 -10.714 -11.513 1.00 43.30 C ATOM 536 CE1 TYR A 36 -7.360 -10.527 -9.413 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.084 -9.824 -11.582 1.00 62.54 C ATOM 538 CZ TYR A 36 -7.199 -9.735 -10.530 1.00 1.54 C ATOM 539 OH TYR A 36 -6.147 -8.850 -10.594 1.00 12.31 O ATOM 0 H TYR A 36 -9.764 -14.072 -12.415 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.494 -14.186 -9.472 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.159 -12.285 -11.159 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.047 -12.289 -9.411 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -8.538 -12.033 -8.473 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -9.831 -10.781 -12.338 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -6.664 -10.453 -8.591 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -7.954 -9.202 -12.455 1.00 62.54 H new ATOM 0 HH TYR A 36 -5.311 -9.345 -10.724 1.00 12.31 H new ATOM 549 N SER A 37 -11.888 -15.067 -9.168 1.00 2.23 N ATOM 550 CA SER A 37 -13.148 -15.771 -9.041 1.00 21.11 C ATOM 551 C SER A 37 -14.155 -14.892 -8.317 1.00 62.15 C ATOM 552 O SER A 37 -13.862 -14.341 -7.250 1.00 50.13 O ATOM 553 CB SER A 37 -12.949 -17.087 -8.288 1.00 62.23 C ATOM 554 OG SER A 37 -11.997 -17.905 -8.945 1.00 63.00 O ATOM 0 H SER A 37 -11.461 -14.800 -8.281 1.00 2.23 H new ATOM 0 HA SER A 37 -13.529 -16.001 -10.036 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.618 -16.882 -7.270 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.899 -17.616 -8.214 1.00 62.23 H new ATOM 0 HG SER A 37 -11.884 -18.741 -8.446 1.00 63.00 H new ATOM 560 N ILE A 38 -15.335 -14.750 -8.897 1.00 34.53 N ATOM 561 CA ILE A 38 -16.372 -13.937 -8.294 1.00 12.35 C ATOM 562 C ILE A 38 -17.362 -14.822 -7.558 1.00 21.51 C ATOM 563 O ILE A 38 -18.208 -15.480 -8.159 1.00 24.12 O ATOM 564 CB ILE A 38 -17.120 -13.081 -9.339 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.128 -12.216 -10.125 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.163 -12.206 -8.651 1.00 23.22 C ATOM 567 CD1 ILE A 38 -16.768 -11.402 -11.227 1.00 24.22 C ATOM 0 H ILE A 38 -15.596 -15.186 -9.781 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.887 -13.258 -7.593 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.629 -13.744 -10.038 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -15.622 -11.541 -9.434 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -15.363 -12.860 -10.559 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -18.684 -11.607 -9.397 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -18.880 -12.838 -8.128 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -17.671 -11.547 -7.936 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -16.004 -10.816 -11.738 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -17.250 -12.071 -11.940 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -17.513 -10.731 -10.798 1.00 24.22 H new ATOM 579 N LYS A 39 -17.222 -14.848 -6.249 1.00 62.41 N ATOM 580 CA LYS A 39 -18.072 -15.650 -5.398 1.00 70.34 C ATOM 581 C LYS A 39 -19.297 -14.852 -4.983 1.00 25.51 C ATOM 582 O LYS A 39 -19.201 -13.894 -4.213 1.00 73.43 O ATOM 583 CB LYS A 39 -17.281 -16.127 -4.179 1.00 35.52 C ATOM 584 CG LYS A 39 -18.101 -16.916 -3.171 1.00 1.32 C ATOM 585 CD LYS A 39 -17.204 -17.597 -2.148 1.00 0.22 C ATOM 586 CE LYS A 39 -16.309 -16.604 -1.416 1.00 64.33 C ATOM 587 NZ LYS A 39 -17.086 -15.663 -0.564 1.00 52.43 N ATOM 0 H LYS A 39 -16.515 -14.313 -5.746 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.414 -16.527 -5.948 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.451 -16.746 -4.519 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.848 -15.260 -3.679 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.797 -16.249 -2.662 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -18.699 -17.665 -3.690 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -17.821 -18.130 -1.424 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -16.585 -18.341 -2.649 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -15.597 -17.149 -0.796 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.729 -16.037 -2.144 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -16.459 -15.247 0.154 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -17.484 -14.907 -1.156 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -17.858 -16.177 -0.094 1.00 52.43 H new ATOM 601 N VAL A 40 -20.439 -15.243 -5.514 1.00 63.22 N ATOM 602 CA VAL A 40 -21.689 -14.551 -5.256 1.00 35.24 C ATOM 603 C VAL A 40 -22.467 -15.244 -4.144 1.00 33.00 C ATOM 604 O VAL A 40 -22.721 -16.449 -4.207 1.00 4.22 O ATOM 605 CB VAL A 40 -22.553 -14.486 -6.535 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.901 -13.847 -6.252 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.823 -13.728 -7.632 1.00 42.04 C ATOM 0 H VAL A 40 -20.528 -16.047 -6.135 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.450 -13.535 -4.941 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.729 -15.506 -6.875 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.488 -13.814 -7.170 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.432 -14.434 -5.502 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.752 -12.833 -5.880 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.446 -13.692 -8.526 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.613 -12.713 -7.295 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.886 -14.235 -7.863 1.00 42.04 H new ATOM 617 N ILE A 41 -22.827 -14.491 -3.115 1.00 54.23 N ATOM 618 CA ILE A 41 -23.604 -15.044 -2.015 1.00 33.03 C ATOM 619 C ILE A 41 -25.007 -14.463 -1.997 1.00 40.43 C ATOM 620 O ILE A 41 -25.186 -13.255 -2.071 1.00 0.12 O ATOM 621 CB ILE A 41 -22.930 -14.798 -0.653 1.00 63.32 C ATOM 622 CG1 ILE A 41 -21.573 -15.501 -0.610 1.00 72.31 C ATOM 623 CG2 ILE A 41 -23.824 -15.282 0.483 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.922 -15.457 0.748 1.00 73.31 C ATOM 0 H ILE A 41 -22.596 -13.502 -3.018 1.00 54.23 H new ATOM 0 HA ILE A 41 -23.660 -16.120 -2.180 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.774 -13.727 -0.526 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -21.701 -16.541 -0.911 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.908 -15.038 -1.339 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -23.330 -15.100 1.438 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -24.771 -14.743 0.455 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -24.011 -16.350 0.369 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.963 -15.974 0.709 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.763 -14.419 1.042 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -21.568 -15.946 1.477 1.00 73.31 H new ATOM 636 N SER A 42 -25.989 -15.340 -1.886 1.00 20.34 N ATOM 637 CA SER A 42 -27.386 -14.939 -1.892 1.00 24.41 C ATOM 638 C SER A 42 -28.238 -16.068 -1.332 1.00 53.10 C ATOM 639 O SER A 42 -27.883 -17.243 -1.464 1.00 71.22 O ATOM 640 CB SER A 42 -27.846 -14.566 -3.308 1.00 15.34 C ATOM 641 OG SER A 42 -29.191 -14.112 -3.311 1.00 44.11 O ATOM 0 H SER A 42 -25.843 -16.345 -1.790 1.00 20.34 H new ATOM 0 HA SER A 42 -27.502 -14.055 -1.265 1.00 24.41 H new ATOM 0 HB2 SER A 42 -27.197 -13.789 -3.711 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.751 -15.432 -3.963 1.00 15.34 H new ATOM 0 HG SER A 42 -29.456 -13.880 -4.226 1.00 44.11 H new ATOM 647 N SER A 43 -29.334 -15.706 -0.678 1.00 30.43 N ATOM 648 CA SER A 43 -30.231 -16.675 -0.062 1.00 73.12 C ATOM 649 C SER A 43 -30.739 -17.689 -1.090 1.00 23.01 C ATOM 650 O SER A 43 -30.942 -18.859 -0.769 1.00 1.22 O ATOM 651 CB SER A 43 -31.411 -15.948 0.592 1.00 14.53 C ATOM 652 OG SER A 43 -32.156 -16.815 1.429 1.00 21.44 O ATOM 0 H SER A 43 -29.626 -14.736 -0.560 1.00 30.43 H new ATOM 0 HA SER A 43 -29.675 -17.220 0.701 1.00 73.12 H new ATOM 0 HB2 SER A 43 -31.042 -15.105 1.176 1.00 14.53 H new ATOM 0 HB3 SER A 43 -32.062 -15.539 -0.181 1.00 14.53 H new ATOM 0 HG SER A 43 -32.900 -16.321 1.832 1.00 21.44 H new ATOM 658 N GLN A 44 -30.905 -17.243 -2.334 1.00 22.21 N ATOM 659 CA GLN A 44 -31.409 -18.107 -3.402 1.00 35.52 C ATOM 660 C GLN A 44 -30.403 -19.200 -3.756 1.00 53.44 C ATOM 661 O GLN A 44 -30.742 -20.172 -4.432 1.00 5.22 O ATOM 662 CB GLN A 44 -31.733 -17.284 -4.647 1.00 53.01 C ATOM 663 CG GLN A 44 -32.834 -16.262 -4.429 1.00 53.14 C ATOM 664 CD GLN A 44 -33.200 -15.528 -5.702 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.086 -16.069 -6.801 1.00 4.51 O ATOM 666 NE2 GLN A 44 -33.639 -14.289 -5.564 1.00 42.54 N ATOM 0 H GLN A 44 -30.698 -16.288 -2.628 1.00 22.21 H new ATOM 0 HA GLN A 44 -32.319 -18.583 -3.037 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.831 -16.769 -4.977 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -32.028 -17.958 -5.451 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -33.718 -16.763 -4.035 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -32.513 -15.541 -3.677 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.719 -13.877 -4.634 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -33.898 -13.745 -6.387 1.00 42.54 H new ATOM 675 N PHE A 45 -29.170 -19.032 -3.297 1.00 2.34 N ATOM 676 CA PHE A 45 -28.121 -20.011 -3.546 1.00 54.05 C ATOM 677 C PHE A 45 -27.973 -20.960 -2.358 1.00 52.21 C ATOM 678 O PHE A 45 -27.237 -21.940 -2.423 1.00 54.32 O ATOM 679 CB PHE A 45 -26.786 -19.311 -3.822 1.00 21.10 C ATOM 680 CG PHE A 45 -26.754 -18.532 -5.108 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.902 -19.171 -6.330 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.563 -17.161 -5.096 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.858 -18.458 -7.512 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.520 -16.442 -6.277 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.670 -17.091 -7.485 1.00 32.51 C ATOM 0 H PHE A 45 -28.872 -18.225 -2.749 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.404 -20.591 -4.424 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.565 -18.636 -2.995 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.994 -20.059 -3.843 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -27.054 -20.240 -6.358 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.446 -16.647 -4.154 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.971 -18.970 -8.456 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.369 -15.373 -6.253 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.640 -16.531 -8.408 1.00 32.51 H new ATOM 695 N GLN A 46 -28.682 -20.664 -1.275 1.00 72.45 N ATOM 696 CA GLN A 46 -28.609 -21.486 -0.075 1.00 75.13 C ATOM 697 C GLN A 46 -29.615 -22.624 -0.151 1.00 33.34 C ATOM 698 O GLN A 46 -30.786 -22.414 -0.476 1.00 13.13 O ATOM 699 CB GLN A 46 -28.855 -20.645 1.180 1.00 64.41 C ATOM 700 CG GLN A 46 -27.751 -19.641 1.476 1.00 21.44 C ATOM 701 CD GLN A 46 -26.391 -20.295 1.644 1.00 44.02 C ATOM 702 OE1 GLN A 46 -26.286 -21.449 2.063 1.00 34.13 O ATOM 703 NE2 GLN A 46 -25.338 -19.556 1.332 1.00 64.01 N ATOM 0 H GLN A 46 -29.311 -19.864 -1.204 1.00 72.45 H new ATOM 0 HA GLN A 46 -27.605 -21.907 -0.013 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -29.798 -20.110 1.068 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.966 -21.311 2.036 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -27.702 -18.913 0.666 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -28.000 -19.092 2.384 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -25.467 -18.604 0.988 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -24.398 -19.938 1.435 1.00 64.01 H new ATOM 712 N GLY A 47 -29.151 -23.831 0.144 1.00 61.23 N ATOM 713 CA GLY A 47 -30.002 -25.002 0.061 1.00 30.52 C ATOM 714 C GLY A 47 -29.809 -25.750 -1.241 1.00 5.25 C ATOM 715 O GLY A 47 -30.097 -26.944 -1.329 1.00 33.03 O ATOM 0 H GLY A 47 -28.194 -24.021 0.441 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.786 -25.667 0.897 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.045 -24.700 0.155 1.00 30.52 H new ATOM 719 N LYS A 48 -29.316 -25.045 -2.249 1.00 74.22 N ATOM 720 CA LYS A 48 -29.056 -25.634 -3.552 1.00 25.13 C ATOM 721 C LYS A 48 -27.749 -26.417 -3.531 1.00 55.24 C ATOM 722 O LYS A 48 -26.825 -26.074 -2.795 1.00 42.13 O ATOM 723 CB LYS A 48 -28.954 -24.541 -4.615 1.00 2.30 C ATOM 724 CG LYS A 48 -30.185 -23.660 -4.739 1.00 31.41 C ATOM 725 CD LYS A 48 -31.370 -24.428 -5.297 1.00 43.32 C ATOM 726 CE LYS A 48 -32.507 -23.489 -5.662 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.092 -22.491 -6.686 1.00 10.22 N ATOM 0 H LYS A 48 -29.086 -24.053 -2.186 1.00 74.22 H new ATOM 0 HA LYS A 48 -29.881 -26.305 -3.790 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.094 -23.911 -4.387 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -28.760 -25.009 -5.580 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -30.442 -23.254 -3.761 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -29.962 -22.812 -5.387 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.061 -24.990 -6.178 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.716 -25.154 -4.561 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -33.350 -24.068 -6.039 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.852 -22.970 -4.767 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -32.828 -22.417 -7.417 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -31.959 -21.564 -6.233 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -31.199 -22.794 -7.124 1.00 10.22 H new ATOM 741 N SER A 49 -27.684 -27.468 -4.328 1.00 13.41 N ATOM 742 CA SER A 49 -26.439 -28.194 -4.516 1.00 51.51 C ATOM 743 C SER A 49 -25.644 -27.539 -5.643 1.00 12.24 C ATOM 744 O SER A 49 -26.219 -26.825 -6.469 1.00 74.40 O ATOM 745 CB SER A 49 -26.732 -29.660 -4.838 1.00 73.24 C ATOM 746 OG SER A 49 -27.503 -30.253 -3.807 1.00 23.44 O ATOM 0 H SER A 49 -28.475 -27.838 -4.854 1.00 13.41 H new ATOM 0 HA SER A 49 -25.849 -28.160 -3.600 1.00 51.51 H new ATOM 0 HB2 SER A 49 -27.267 -29.730 -5.785 1.00 73.24 H new ATOM 0 HB3 SER A 49 -25.796 -30.205 -4.959 1.00 73.24 H new ATOM 0 HG SER A 49 -27.682 -31.190 -4.030 1.00 23.44 H new ATOM 752 N LYS A 50 -24.333 -27.771 -5.673 1.00 4.42 N ATOM 753 CA LYS A 50 -23.461 -27.142 -6.665 1.00 71.43 C ATOM 754 C LYS A 50 -23.963 -27.343 -8.089 1.00 23.45 C ATOM 755 O LYS A 50 -23.851 -26.439 -8.912 1.00 32.41 O ATOM 756 CB LYS A 50 -22.020 -27.651 -6.553 1.00 4.10 C ATOM 757 CG LYS A 50 -21.196 -26.924 -5.506 1.00 64.11 C ATOM 758 CD LYS A 50 -19.741 -27.367 -5.544 1.00 23.40 C ATOM 759 CE LYS A 50 -18.910 -26.637 -4.503 1.00 14.31 C ATOM 760 NZ LYS A 50 -18.714 -25.199 -4.832 1.00 52.11 N ATOM 0 H LYS A 50 -23.850 -28.390 -5.022 1.00 4.42 H new ATOM 0 HA LYS A 50 -23.479 -26.074 -6.446 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.037 -28.715 -6.315 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -21.532 -27.549 -7.522 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -21.256 -25.849 -5.675 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -21.611 -27.115 -4.516 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -19.682 -28.441 -5.370 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -19.329 -27.181 -6.536 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -19.397 -26.720 -3.531 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -17.938 -27.121 -4.415 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -18.085 -24.764 -4.127 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -18.287 -25.114 -5.776 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -19.633 -24.712 -4.823 1.00 52.11 H new ATOM 774 N LEU A 51 -24.507 -28.514 -8.384 1.00 35.35 N ATOM 775 CA LEU A 51 -25.019 -28.794 -9.722 1.00 23.42 C ATOM 776 C LEU A 51 -26.101 -27.774 -10.089 1.00 5.20 C ATOM 777 O LEU A 51 -26.044 -27.147 -11.151 1.00 63.51 O ATOM 778 CB LEU A 51 -25.576 -30.224 -9.787 1.00 12.31 C ATOM 779 CG LEU A 51 -25.323 -30.983 -11.098 1.00 32.31 C ATOM 780 CD1 LEU A 51 -25.943 -30.257 -12.281 1.00 43.12 C ATOM 781 CD2 LEU A 51 -23.827 -31.183 -11.313 1.00 32.51 C ATOM 0 H LEU A 51 -24.606 -29.283 -7.721 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.205 -28.711 -10.442 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -25.144 -30.799 -8.968 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.652 -30.183 -9.615 1.00 12.31 H new ATOM 0 HG LEU A 51 -25.798 -31.961 -11.022 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -25.748 -30.818 -13.195 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -27.019 -30.170 -12.131 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -25.507 -29.261 -12.366 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -23.662 -31.722 -12.246 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -23.334 -30.212 -11.363 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -23.414 -31.758 -10.484 1.00 32.51 H new ATOM 793 N GLU A 52 -27.058 -27.591 -9.183 1.00 71.20 N ATOM 794 CA GLU A 52 -28.124 -26.609 -9.363 1.00 3.31 C ATOM 795 C GLU A 52 -27.529 -25.221 -9.569 1.00 30.12 C ATOM 796 O GLU A 52 -27.932 -24.480 -10.473 1.00 1.51 O ATOM 797 CB GLU A 52 -29.038 -26.596 -8.134 1.00 30.33 C ATOM 798 CG GLU A 52 -29.620 -27.957 -7.780 1.00 23.32 C ATOM 799 CD GLU A 52 -30.554 -28.495 -8.844 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.735 -28.089 -8.868 1.00 33.02 O ATOM 801 OE2 GLU A 52 -30.121 -29.333 -9.660 1.00 61.13 O ATOM 0 H GLU A 52 -27.117 -28.115 -8.310 1.00 71.20 H new ATOM 0 HA GLU A 52 -28.706 -26.884 -10.242 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -28.475 -26.220 -7.280 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -29.856 -25.897 -8.310 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -28.806 -28.666 -7.627 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -30.159 -27.881 -6.836 1.00 23.32 H new ATOM 808 N GLN A 53 -26.554 -24.893 -8.724 1.00 12.11 N ATOM 809 CA GLN A 53 -25.836 -23.625 -8.808 1.00 42.34 C ATOM 810 C GLN A 53 -25.249 -23.433 -10.196 1.00 43.01 C ATOM 811 O GLN A 53 -25.415 -22.383 -10.810 1.00 50.30 O ATOM 812 CB GLN A 53 -24.701 -23.592 -7.778 1.00 43.04 C ATOM 813 CG GLN A 53 -25.164 -23.783 -6.346 1.00 62.32 C ATOM 814 CD GLN A 53 -25.902 -22.577 -5.816 1.00 34.52 C ATOM 815 OE1 GLN A 53 -27.117 -22.468 -5.951 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.167 -21.665 -5.210 1.00 33.33 N ATOM 0 H GLN A 53 -26.241 -25.497 -7.964 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.544 -22.822 -8.603 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -23.979 -24.371 -8.023 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.180 -22.638 -7.857 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -25.813 -24.657 -6.290 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -24.301 -23.986 -5.712 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -24.160 -21.798 -5.121 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.606 -20.826 -4.830 1.00 33.33 H new ATOM 825 N HIS A 54 -24.589 -24.470 -10.704 1.00 11.40 N ATOM 826 CA HIS A 54 -23.959 -24.407 -12.017 1.00 50.22 C ATOM 827 C HIS A 54 -25.004 -24.216 -13.105 1.00 75.33 C ATOM 828 O HIS A 54 -24.767 -23.500 -14.072 1.00 22.05 O ATOM 829 CB HIS A 54 -23.129 -25.666 -12.302 1.00 60.03 C ATOM 830 CG HIS A 54 -21.855 -25.748 -11.509 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.705 -26.575 -10.422 1.00 44.12 N ATOM 832 CD2 HIS A 54 -20.670 -25.108 -11.656 1.00 72.31 C ATOM 833 CE1 HIS A 54 -20.490 -26.445 -9.930 1.00 21.24 C ATOM 834 NE2 HIS A 54 -19.835 -25.561 -10.663 1.00 73.11 N ATOM 0 H HIS A 54 -24.477 -25.364 -10.225 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.286 -23.549 -12.016 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -23.736 -26.546 -12.088 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -22.887 -25.697 -13.364 1.00 60.03 H new ATOM 0 HD1 HIS A 54 -22.425 -27.195 -10.052 1.00 44.12 H new ATOM 0 HD2 HIS A 54 -20.427 -24.377 -12.413 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.096 -26.971 -9.073 1.00 21.24 H new ATOM 843 N ARG A 55 -26.163 -24.846 -12.941 1.00 60.31 N ATOM 844 CA ARG A 55 -27.239 -24.704 -13.915 1.00 40.14 C ATOM 845 C ARG A 55 -27.716 -23.260 -13.998 1.00 43.34 C ATOM 846 O ARG A 55 -27.703 -22.654 -15.069 1.00 3.25 O ATOM 847 CB ARG A 55 -28.429 -25.592 -13.548 1.00 52.11 C ATOM 848 CG ARG A 55 -28.185 -27.078 -13.734 1.00 35.13 C ATOM 849 CD ARG A 55 -29.443 -27.875 -13.423 1.00 61.41 C ATOM 850 NE ARG A 55 -29.269 -29.307 -13.663 1.00 74.14 N ATOM 851 CZ ARG A 55 -30.278 -30.145 -13.883 1.00 14.23 C ATOM 852 NH1 ARG A 55 -31.517 -29.678 -13.954 1.00 74.13 N ATOM 853 NH2 ARG A 55 -30.047 -31.438 -14.055 1.00 52.14 N ATOM 0 H ARG A 55 -26.380 -25.454 -12.151 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.839 -25.010 -14.882 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.697 -25.408 -12.508 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.286 -25.299 -14.154 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -27.869 -27.274 -14.759 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -27.373 -27.402 -13.083 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -29.723 -27.715 -12.382 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -30.265 -27.504 -14.035 1.00 61.41 H new ATOM 0 HE ARG A 55 -28.321 -29.684 -13.662 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.693 -28.680 -13.840 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -32.294 -30.317 -14.123 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -29.092 -31.795 -14.019 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -30.824 -32.077 -14.223 1.00 52.14 H new ATOM 867 N MET A 56 -28.098 -22.693 -12.858 1.00 5.13 N ATOM 868 CA MET A 56 -28.664 -21.349 -12.851 1.00 13.24 C ATOM 869 C MET A 56 -27.604 -20.311 -13.216 1.00 73.24 C ATOM 870 O MET A 56 -27.899 -19.315 -13.882 1.00 12.14 O ATOM 871 CB MET A 56 -29.323 -21.028 -11.500 1.00 12.34 C ATOM 872 CG MET A 56 -28.388 -21.075 -10.305 1.00 75.15 C ATOM 873 SD MET A 56 -29.262 -20.870 -8.737 1.00 61.02 S ATOM 874 CE MET A 56 -30.014 -19.263 -8.979 1.00 11.14 C ATOM 0 H MET A 56 -28.028 -23.135 -11.941 1.00 5.13 H new ATOM 0 HA MET A 56 -29.445 -21.309 -13.610 1.00 13.24 H new ATOM 0 HB2 MET A 56 -29.767 -20.034 -11.556 1.00 12.34 H new ATOM 0 HB3 MET A 56 -30.138 -21.733 -11.333 1.00 12.34 H new ATOM 0 HG2 MET A 56 -27.857 -22.027 -10.300 1.00 75.15 H new ATOM 0 HG3 MET A 56 -27.637 -20.292 -10.404 1.00 75.15 H new ATOM 0 HE1 MET A 56 -30.313 -18.852 -8.015 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.296 -18.593 -9.452 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.891 -19.364 -9.618 1.00 11.14 H new ATOM 884 N ILE A 57 -26.364 -20.562 -12.813 1.00 55.45 N ATOM 885 CA ILE A 57 -25.257 -19.696 -13.184 1.00 13.21 C ATOM 886 C ILE A 57 -25.002 -19.775 -14.688 1.00 34.43 C ATOM 887 O ILE A 57 -24.774 -18.760 -15.341 1.00 62.10 O ATOM 888 CB ILE A 57 -23.967 -20.048 -12.406 1.00 42.03 C ATOM 889 CG1 ILE A 57 -24.125 -19.698 -10.921 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.760 -19.330 -12.997 1.00 32.31 C ATOM 891 CD1 ILE A 57 -24.434 -18.237 -10.663 1.00 2.10 C ATOM 0 H ILE A 57 -26.102 -21.357 -12.230 1.00 55.45 H new ATOM 0 HA ILE A 57 -25.536 -18.676 -12.920 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.799 -21.121 -12.496 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.923 -20.308 -10.497 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.207 -19.963 -10.396 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.866 -19.595 -12.432 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.633 -19.628 -14.038 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.916 -18.253 -12.945 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -24.531 -18.070 -9.590 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -23.626 -17.619 -11.055 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -25.368 -17.970 -11.158 1.00 2.10 H new ATOM 903 N TYR A 58 -25.067 -20.978 -15.242 1.00 15.22 N ATOM 904 CA TYR A 58 -24.882 -21.154 -16.672 1.00 4.35 C ATOM 905 C TYR A 58 -26.024 -20.510 -17.451 1.00 73.40 C ATOM 906 O TYR A 58 -25.827 -20.030 -18.558 1.00 43.54 O ATOM 907 CB TYR A 58 -24.770 -22.639 -17.039 1.00 3.41 C ATOM 908 CG TYR A 58 -24.695 -22.876 -18.529 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.626 -22.396 -19.272 1.00 21.34 C ATOM 910 CD2 TYR A 58 -25.705 -23.558 -19.196 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.563 -22.587 -20.637 1.00 75.23 C ATOM 912 CE2 TYR A 58 -25.646 -23.759 -20.563 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.576 -23.268 -21.279 1.00 54.23 C ATOM 914 OH TYR A 58 -24.516 -23.456 -22.640 1.00 40.03 O ATOM 0 H TYR A 58 -25.245 -21.839 -14.726 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.949 -20.661 -16.944 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -23.883 -23.059 -16.565 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.630 -23.173 -16.635 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.830 -21.864 -18.773 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.549 -23.937 -18.639 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.724 -22.205 -21.200 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.435 -24.298 -21.067 1.00 44.13 H new ATOM 0 HH TYR A 58 -25.306 -23.955 -22.936 1.00 40.03 H new ATOM 924 N LYS A 59 -27.219 -20.497 -16.875 1.00 73.42 N ATOM 925 CA LYS A 59 -28.364 -19.912 -17.562 1.00 51.11 C ATOM 926 C LYS A 59 -28.374 -18.387 -17.445 1.00 44.10 C ATOM 927 O LYS A 59 -28.910 -17.700 -18.317 1.00 22.41 O ATOM 928 CB LYS A 59 -29.678 -20.506 -17.052 1.00 13.12 C ATOM 929 CG LYS A 59 -29.770 -22.016 -17.240 1.00 73.15 C ATOM 930 CD LYS A 59 -29.401 -22.443 -18.658 1.00 61.04 C ATOM 931 CE LYS A 59 -30.427 -21.984 -19.685 1.00 2.45 C ATOM 932 NZ LYS A 59 -30.021 -22.341 -21.073 1.00 73.34 N ATOM 0 H LYS A 59 -27.420 -20.877 -15.950 1.00 73.42 H new ATOM 0 HA LYS A 59 -28.268 -20.161 -18.619 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.788 -20.271 -15.993 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -30.510 -20.031 -17.572 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.107 -22.510 -16.529 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.784 -22.348 -17.014 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -28.424 -22.034 -18.916 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -29.312 -23.529 -18.697 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.393 -22.437 -19.461 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -30.557 -20.904 -19.611 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -30.809 -22.151 -21.725 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -29.196 -21.772 -21.351 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -29.774 -23.350 -21.114 1.00 73.34 H new ATOM 946 N VAL A 60 -27.786 -17.850 -16.377 1.00 40.42 N ATOM 947 CA VAL A 60 -27.631 -16.399 -16.267 1.00 13.04 C ATOM 948 C VAL A 60 -26.414 -15.933 -17.078 1.00 62.12 C ATOM 949 O VAL A 60 -26.328 -14.779 -17.499 1.00 21.20 O ATOM 950 CB VAL A 60 -27.520 -15.930 -14.791 1.00 40.25 C ATOM 951 CG1 VAL A 60 -26.192 -16.332 -14.168 1.00 54.03 C ATOM 952 CG2 VAL A 60 -27.732 -14.425 -14.685 1.00 74.32 C ATOM 0 H VAL A 60 -27.416 -18.384 -15.591 1.00 40.42 H new ATOM 0 HA VAL A 60 -28.531 -15.941 -16.679 1.00 13.04 H new ATOM 0 HB VAL A 60 -28.308 -16.432 -14.230 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -26.155 -15.985 -13.135 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -26.094 -17.417 -14.190 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -25.375 -15.882 -14.732 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -27.650 -14.119 -13.642 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -26.975 -13.908 -15.276 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -28.723 -14.170 -15.061 1.00 74.32 H new ATOM 962 N LEU A 61 -25.481 -16.850 -17.301 1.00 32.20 N ATOM 963 CA LEU A 61 -24.329 -16.601 -18.154 1.00 23.13 C ATOM 964 C LEU A 61 -24.494 -17.388 -19.456 1.00 43.05 C ATOM 965 O LEU A 61 -23.524 -17.848 -20.061 1.00 70.44 O ATOM 966 CB LEU A 61 -23.058 -17.034 -17.415 1.00 21.35 C ATOM 967 CG LEU A 61 -21.879 -16.058 -17.483 1.00 63.31 C ATOM 968 CD1 LEU A 61 -21.324 -15.964 -18.893 1.00 14.42 C ATOM 969 CD2 LEU A 61 -22.295 -14.683 -16.987 1.00 52.20 C ATOM 0 H LEU A 61 -25.503 -17.786 -16.896 1.00 32.20 H new ATOM 0 HA LEU A 61 -24.252 -15.540 -18.393 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -23.309 -17.198 -16.367 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -22.735 -17.993 -17.820 1.00 21.35 H new ATOM 0 HG LEU A 61 -21.091 -16.441 -16.834 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -20.489 -15.264 -18.909 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.980 -16.947 -19.215 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -22.104 -15.613 -19.569 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -21.445 -14.003 -17.043 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -23.105 -14.302 -17.608 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.634 -14.756 -15.954 1.00 52.20 H new ATOM 981 N ASP A 62 -25.744 -17.516 -19.883 1.00 51.31 N ATOM 982 CA ASP A 62 -26.106 -18.379 -21.006 1.00 11.45 C ATOM 983 C ASP A 62 -25.570 -17.851 -22.332 1.00 35.13 C ATOM 984 O ASP A 62 -25.738 -16.674 -22.663 1.00 45.22 O ATOM 985 CB ASP A 62 -27.626 -18.516 -21.071 1.00 14.42 C ATOM 986 CG ASP A 62 -28.092 -19.493 -22.130 1.00 30.25 C ATOM 987 OD1 ASP A 62 -28.110 -20.709 -21.858 1.00 64.21 O ATOM 988 OD2 ASP A 62 -28.485 -19.043 -23.225 1.00 3.33 O ATOM 0 H ASP A 62 -26.535 -17.027 -19.464 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.650 -19.355 -20.840 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -27.997 -18.840 -20.099 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -28.064 -17.538 -21.270 1.00 14.42 H new ATOM 993 N GLY A 63 -24.921 -18.731 -23.083 1.00 4.15 N ATOM 994 CA GLY A 63 -24.384 -18.357 -24.374 1.00 43.43 C ATOM 995 C GLY A 63 -22.917 -18.711 -24.511 1.00 33.13 C ATOM 996 O GLY A 63 -22.421 -18.921 -25.620 1.00 43.24 O ATOM 0 H GLY A 63 -24.757 -19.702 -22.818 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -24.951 -18.857 -25.159 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -24.512 -17.285 -24.521 1.00 43.43 H new ATOM 1000 N LEU A 64 -22.223 -18.783 -23.385 1.00 51.34 N ATOM 1001 CA LEU A 64 -20.797 -19.087 -23.386 1.00 3.45 C ATOM 1002 C LEU A 64 -20.557 -20.549 -23.024 1.00 42.35 C ATOM 1003 O LEU A 64 -21.472 -21.373 -23.099 1.00 0.34 O ATOM 1004 CB LEU A 64 -20.059 -18.168 -22.407 1.00 54.54 C ATOM 1005 CG LEU A 64 -20.132 -16.678 -22.741 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -19.305 -15.872 -21.757 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -19.662 -16.416 -24.163 1.00 63.23 C ATOM 0 H LEU A 64 -22.623 -18.635 -22.458 1.00 51.34 H new ATOM 0 HA LEU A 64 -20.409 -18.915 -24.390 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -20.468 -18.322 -21.409 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -19.011 -18.466 -22.371 1.00 54.54 H new ATOM 0 HG LEU A 64 -21.173 -16.365 -22.662 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -19.368 -14.814 -22.010 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -19.687 -16.028 -20.748 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -18.265 -16.195 -21.805 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -19.724 -15.349 -24.376 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -18.630 -16.749 -24.272 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -20.295 -16.962 -24.862 1.00 63.23 H new ATOM 1019 N ASN A 65 -19.321 -20.874 -22.661 1.00 64.21 N ATOM 1020 CA ASN A 65 -18.980 -22.229 -22.238 1.00 60.20 C ATOM 1021 C ASN A 65 -19.588 -22.535 -20.875 1.00 64.31 C ATOM 1022 O ASN A 65 -19.836 -21.633 -20.077 1.00 34.35 O ATOM 1023 CB ASN A 65 -17.462 -22.427 -22.194 1.00 11.43 C ATOM 1024 CG ASN A 65 -16.859 -22.664 -23.568 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -16.758 -23.803 -24.027 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -16.453 -21.594 -24.236 1.00 54.41 N ATOM 0 H ASN A 65 -18.539 -20.219 -22.651 1.00 64.21 H new ATOM 0 HA ASN A 65 -19.395 -22.921 -22.971 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -16.998 -21.548 -21.746 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -17.229 -23.274 -21.549 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -16.040 -21.698 -25.163 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -16.553 -20.667 -23.823 1.00 54.41 H new ATOM 1033 N ILE A 66 -19.804 -23.816 -20.608 1.00 12.30 N ATOM 1034 CA ILE A 66 -20.496 -24.247 -19.397 1.00 41.44 C ATOM 1035 C ILE A 66 -19.554 -24.264 -18.186 1.00 2.50 C ATOM 1036 O ILE A 66 -19.974 -24.516 -17.053 1.00 31.11 O ATOM 1037 CB ILE A 66 -21.111 -25.656 -19.592 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -21.783 -25.755 -20.967 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -22.119 -25.960 -18.489 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -22.357 -27.124 -21.266 1.00 65.41 C ATOM 0 H ILE A 66 -19.509 -24.580 -21.216 1.00 12.30 H new ATOM 0 HA ILE A 66 -21.292 -23.527 -19.206 1.00 41.44 H new ATOM 0 HB ILE A 66 -20.309 -26.393 -19.538 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -22.581 -25.015 -21.026 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -21.055 -25.500 -21.737 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -22.539 -26.954 -18.644 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -21.620 -25.924 -17.520 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -22.919 -25.220 -18.513 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -22.816 -27.118 -22.255 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -21.559 -27.866 -21.240 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -23.110 -27.374 -20.518 1.00 65.41 H new ATOM 1052 N HIS A 67 -18.279 -23.979 -18.416 1.00 15.31 N ATOM 1053 CA HIS A 67 -17.297 -24.032 -17.342 1.00 41.12 C ATOM 1054 C HIS A 67 -17.345 -22.757 -16.501 1.00 13.15 C ATOM 1055 O HIS A 67 -16.598 -21.804 -16.738 1.00 11.25 O ATOM 1056 CB HIS A 67 -15.887 -24.256 -17.896 1.00 61.24 C ATOM 1057 CG HIS A 67 -14.876 -24.551 -16.832 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -14.889 -25.711 -16.090 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -13.830 -23.826 -16.373 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -13.900 -25.687 -15.220 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -13.238 -24.555 -15.369 1.00 5.34 N ATOM 0 H HIS A 67 -17.904 -23.712 -19.326 1.00 15.31 H new ATOM 0 HA HIS A 67 -17.548 -24.877 -16.701 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -15.910 -25.083 -18.606 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -15.576 -23.370 -18.449 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -13.518 -22.855 -16.729 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -13.670 -26.463 -14.505 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -12.422 -24.268 -14.828 1.00 5.34 H new ATOM 1070 N ALA A 68 -18.246 -22.743 -15.530 1.00 1.04 N ATOM 1071 CA ALA A 68 -18.397 -21.607 -14.633 1.00 21.21 C ATOM 1072 C ALA A 68 -17.289 -21.589 -13.587 1.00 64.03 C ATOM 1073 O ALA A 68 -17.373 -22.262 -12.559 1.00 11.40 O ATOM 1074 CB ALA A 68 -19.762 -21.634 -13.964 1.00 11.23 C ATOM 0 H ALA A 68 -18.889 -23.513 -15.342 1.00 1.04 H new ATOM 0 HA ALA A 68 -18.319 -20.695 -15.225 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -19.857 -20.777 -13.297 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -20.541 -21.590 -14.725 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -19.868 -22.554 -13.390 1.00 11.23 H new ATOM 1080 N ILE A 69 -16.227 -20.856 -13.887 1.00 52.42 N ATOM 1081 CA ILE A 69 -15.132 -20.669 -12.944 1.00 0.05 C ATOM 1082 C ILE A 69 -14.928 -19.182 -12.648 1.00 34.51 C ATOM 1083 O ILE A 69 -14.356 -18.809 -11.628 1.00 0.24 O ATOM 1084 CB ILE A 69 -13.815 -21.287 -13.477 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -12.718 -21.227 -12.406 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -13.369 -20.582 -14.754 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -11.417 -21.877 -12.827 1.00 43.35 C ATOM 0 H ILE A 69 -16.099 -20.379 -14.779 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.400 -21.184 -12.021 1.00 0.05 H new ATOM 0 HB ILE A 69 -13.998 -22.335 -13.715 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -12.527 -20.184 -12.153 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -13.080 -21.714 -11.500 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -12.442 -21.030 -15.113 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -14.141 -20.686 -15.516 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -13.204 -19.525 -14.547 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -10.691 -21.795 -12.018 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -11.592 -22.929 -13.052 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -11.030 -21.376 -13.714 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.422 -18.337 -13.550 1.00 62.22 N ATOM 1100 CA GLN A 70 -15.319 -16.890 -13.387 1.00 45.13 C ATOM 1101 C GLN A 70 -16.250 -16.417 -12.274 1.00 54.23 C ATOM 1102 O GLN A 70 -16.038 -15.370 -11.665 1.00 20.23 O ATOM 1103 CB GLN A 70 -15.649 -16.186 -14.711 1.00 3.32 C ATOM 1104 CG GLN A 70 -17.021 -16.541 -15.270 1.00 45.50 C ATOM 1105 CD GLN A 70 -17.240 -16.004 -16.672 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -17.717 -14.886 -16.858 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -16.900 -16.805 -17.671 1.00 43.43 N ATOM 0 H GLN A 70 -15.898 -18.631 -14.403 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.297 -16.636 -13.108 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -15.596 -15.108 -14.562 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -14.889 -16.444 -15.448 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -17.136 -17.625 -15.279 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -17.792 -16.144 -14.609 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -16.507 -17.726 -17.475 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -17.031 -16.501 -18.636 1.00 43.43 H new ATOM 1116 N ILE A 71 -17.273 -17.215 -12.014 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.231 -16.940 -10.959 1.00 32.34 C ATOM 1118 C ILE A 71 -18.517 -18.230 -10.195 1.00 21.45 C ATOM 1119 O ILE A 71 -18.705 -19.286 -10.798 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.536 -16.334 -11.531 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.599 -16.194 -10.435 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -20.058 -17.168 -12.693 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.873 -15.526 -10.909 1.00 61.50 C ATOM 0 H ILE A 71 -17.462 -18.074 -12.531 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.807 -16.203 -10.277 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.309 -15.337 -11.909 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.840 -17.183 -10.046 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.183 -15.619 -9.608 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.975 -16.722 -13.078 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -19.309 -17.198 -13.485 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -20.264 -18.182 -12.350 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -22.579 -15.461 -10.081 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -21.645 -14.524 -11.271 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -22.313 -16.112 -11.716 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.523 -18.144 -8.873 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.644 -19.324 -8.026 1.00 11.31 C ATOM 1137 C GLN A 72 -19.543 -19.013 -6.833 1.00 41.51 C ATOM 1138 O GLN A 72 -19.796 -17.847 -6.534 1.00 30.42 O ATOM 1139 CB GLN A 72 -17.246 -19.750 -7.557 1.00 73.05 C ATOM 1140 CG GLN A 72 -16.976 -21.250 -7.637 1.00 75.12 C ATOM 1141 CD GLN A 72 -17.690 -22.040 -6.558 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -18.814 -22.511 -6.751 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -17.043 -22.190 -5.413 1.00 23.21 N ATOM 0 H GLN A 72 -18.445 -17.265 -8.361 1.00 4.42 H new ATOM 0 HA GLN A 72 -19.094 -20.142 -8.589 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.501 -19.228 -8.158 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.109 -19.424 -6.526 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -17.287 -21.618 -8.615 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.903 -21.425 -7.558 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -16.115 -21.784 -5.295 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -17.473 -22.711 -4.649 1.00 23.21 H new ATOM 1152 N THR A 73 -20.026 -20.047 -6.162 1.00 51.10 N ATOM 1153 CA THR A 73 -20.908 -19.872 -5.020 1.00 71.51 C ATOM 1154 C THR A 73 -20.499 -20.783 -3.861 1.00 31.34 C ATOM 1155 O THR A 73 -19.954 -21.869 -4.072 1.00 0.24 O ATOM 1156 CB THR A 73 -22.376 -20.152 -5.403 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.459 -21.360 -6.170 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.969 -18.998 -6.202 1.00 60.22 C ATOM 0 H THR A 73 -19.821 -21.020 -6.390 1.00 51.10 H new ATOM 0 HA THR A 73 -20.818 -18.834 -4.700 1.00 71.51 H new ATOM 0 HB THR A 73 -22.949 -20.261 -4.482 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.689 -21.143 -7.098 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.004 -19.226 -6.457 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.934 -18.087 -5.605 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.393 -18.855 -7.117 1.00 60.22 H new ATOM 1166 N GLY A 74 -20.755 -20.328 -2.640 1.00 12.20 N ATOM 1167 CA GLY A 74 -20.417 -21.111 -1.465 1.00 10.41 C ATOM 1168 C GLY A 74 -19.003 -20.845 -0.989 1.00 15.25 C ATOM 1169 O GLY A 74 -18.077 -20.751 -1.797 1.00 44.31 O ATOM 0 H GLY A 74 -21.192 -19.428 -2.442 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -21.118 -20.881 -0.663 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -20.529 -22.171 -1.692 1.00 10.41 H new ATOM 1173 N CYS A 75 -18.833 -20.719 0.314 1.00 41.31 N ATOM 1174 CA CYS A 75 -17.534 -20.401 0.886 1.00 31.41 C ATOM 1175 C CYS A 75 -16.948 -21.590 1.639 1.00 22.14 C ATOM 1176 O CYS A 75 -17.664 -22.330 2.314 1.00 42.21 O ATOM 1177 CB CYS A 75 -17.658 -19.215 1.840 1.00 54.21 C ATOM 1178 SG CYS A 75 -18.437 -17.758 1.113 1.00 1.04 S ATOM 0 H CYS A 75 -19.580 -20.832 1.000 1.00 41.31 H new ATOM 0 HA CYS A 75 -16.865 -20.149 0.063 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -18.234 -19.524 2.712 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -16.664 -18.943 2.194 1.00 54.21 H new ATOM 0 HG CYS A 75 -17.965 -16.686 1.678 1.00 1.04 H new ATOM 1184 N LYS A 76 -15.643 -21.767 1.511 1.00 72.44 N ATOM 1185 CA LYS A 76 -14.918 -22.751 2.291 1.00 24.13 C ATOM 1186 C LYS A 76 -13.470 -22.319 2.417 1.00 65.44 C ATOM 1187 O LYS A 76 -12.777 -22.802 3.330 1.00 51.21 O ATOM 1188 CB LYS A 76 -15.003 -24.151 1.673 1.00 54.32 C ATOM 1189 CG LYS A 76 -14.358 -24.284 0.302 1.00 62.33 C ATOM 1190 CD LYS A 76 -14.163 -25.749 -0.062 1.00 31.01 C ATOM 1191 CE LYS A 76 -13.178 -26.421 0.884 1.00 51.33 C ATOM 1192 NZ LYS A 76 -13.158 -27.898 0.719 1.00 72.41 N ATOM 1193 OXT LYS A 76 -13.037 -21.472 1.603 1.00 0.00 O ATOM 0 H LYS A 76 -15.060 -21.234 0.866 1.00 72.44 H new ATOM 0 HA LYS A 76 -15.377 -22.809 3.278 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -14.531 -24.861 2.351 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -16.052 -24.435 1.594 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -14.982 -23.798 -0.448 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -13.396 -23.772 0.296 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -15.121 -26.267 -0.023 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -13.799 -25.827 -1.087 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -12.178 -26.024 0.707 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -13.441 -26.176 1.913 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -12.473 -28.312 1.383 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -14.105 -28.282 0.913 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -12.882 -28.135 -0.255 1.00 72.41 H new TER 1207 LYS A 76