USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 673 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 22 THR OG1 : rot -140:sc= 0.985 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= -0.514 (180deg=-1.18) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -140:sc= -0.936 (180deg=-1.46) USER MOD Single : A 10 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0564 (180deg=-0.303) USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.898 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -135:sc= 0.215 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0061) USER MOD Single : A 39 GLN : amide:sc= -1.79 K(o=-1.8,f=-3.8) USER MOD Single : A 48 GLN : amide:sc= -0.0505 K(o=-0.051,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= -4.99! C(o=-5!,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.597 K(o=-0.6,f=-3.8!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00486 K(o=-0.0049,f=-0.64) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= 0.6 (180deg=-2.36!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.96! C(o=-4!,f=-4.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -0.167 K(o=-0.17,f=-1.7) USER MOD Single : A 100 SER OG : rot 180:sc= -0.12 USER MOD Single : A 103 GLN : amide:sc= -0.058 K(o=-0.058,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.273 21.847 2.592 1.00 64.50 N ATOM 2 CA GLY A 1 -16.836 21.640 2.568 1.00 12.10 C ATOM 3 C GLY A 1 -16.206 22.092 1.266 1.00 11.44 C ATOM 4 O GLY A 1 -15.326 22.952 1.260 1.00 71.33 O ATOM 0 H1 GLY A 1 -18.655 21.522 3.503 1.00 64.50 H new ATOM 0 H2 GLY A 1 -18.480 22.859 2.471 1.00 64.50 H new ATOM 0 H3 GLY A 1 -18.714 21.309 1.819 1.00 64.50 H new ATOM 0 HA2 GLY A 1 -16.380 22.183 3.396 1.00 12.10 H new ATOM 0 HA3 GLY A 1 -16.622 20.583 2.724 1.00 12.10 H new ATOM 8 N SER A 2 -16.657 21.510 0.159 1.00 32.10 N ATOM 9 CA SER A 2 -16.128 21.854 -1.156 1.00 62.33 C ATOM 10 C SER A 2 -14.627 21.587 -1.225 1.00 74.41 C ATOM 11 O SER A 2 -13.861 22.406 -1.734 1.00 21.00 O ATOM 12 CB SER A 2 -16.411 23.324 -1.473 1.00 43.31 C ATOM 13 OG SER A 2 -17.728 23.684 -1.095 1.00 15.31 O ATOM 0 H SER A 2 -17.387 20.798 0.147 1.00 32.10 H new ATOM 0 HA SER A 2 -16.625 21.227 -1.896 1.00 62.33 H new ATOM 0 HB2 SER A 2 -15.694 23.956 -0.950 1.00 43.31 H new ATOM 0 HB3 SER A 2 -16.274 23.502 -2.540 1.00 43.31 H new ATOM 0 HG SER A 2 -17.883 24.628 -1.307 1.00 15.31 H new ATOM 18 N LEU A 3 -14.214 20.436 -0.707 1.00 14.40 N ATOM 19 CA LEU A 3 -12.805 20.058 -0.709 1.00 43.24 C ATOM 20 C LEU A 3 -12.285 19.899 -2.135 1.00 72.45 C ATOM 21 O LEU A 3 -12.964 19.338 -2.994 1.00 52.21 O ATOM 22 CB LEU A 3 -12.605 18.755 0.068 1.00 4.52 C ATOM 23 CG LEU A 3 -12.919 17.466 -0.693 1.00 33.11 C ATOM 24 CD1 LEU A 3 -12.509 16.251 0.125 1.00 35.11 C ATOM 25 CD2 LEU A 3 -14.399 17.400 -1.044 1.00 22.42 C ATOM 0 H LEU A 3 -14.834 19.748 -0.280 1.00 14.40 H new ATOM 0 HA LEU A 3 -12.240 20.854 -0.223 1.00 43.24 H new ATOM 0 HB2 LEU A 3 -11.569 18.711 0.405 1.00 4.52 H new ATOM 0 HB3 LEU A 3 -13.230 18.788 0.961 1.00 4.52 H new ATOM 0 HG LEU A 3 -12.346 17.465 -1.620 1.00 33.11 H new ATOM 0 HD11 LEU A 3 -12.740 15.343 -0.432 1.00 35.11 H new ATOM 0 HD12 LEU A 3 -11.438 16.292 0.325 1.00 35.11 H new ATOM 0 HD13 LEU A 3 -13.055 16.247 1.069 1.00 35.11 H new ATOM 0 HD21 LEU A 3 -14.604 16.476 -1.585 1.00 22.42 H new ATOM 0 HD22 LEU A 3 -14.991 17.424 -0.129 1.00 22.42 H new ATOM 0 HD23 LEU A 3 -14.663 18.253 -1.669 1.00 22.42 H new ATOM 36 N VAL A 4 -11.076 20.395 -2.377 1.00 11.11 N ATOM 37 CA VAL A 4 -10.464 20.306 -3.697 1.00 62.42 C ATOM 38 C VAL A 4 -9.219 19.427 -3.666 1.00 43.44 C ATOM 39 O VAL A 4 -8.582 19.245 -2.628 1.00 61.30 O ATOM 40 CB VAL A 4 -10.083 21.699 -4.234 1.00 53.44 C ATOM 41 CG1 VAL A 4 -11.315 22.427 -4.751 1.00 40.25 C ATOM 42 CG2 VAL A 4 -9.385 22.512 -3.155 1.00 5.51 C ATOM 0 H VAL A 4 -10.501 20.863 -1.676 1.00 11.11 H new ATOM 0 HA VAL A 4 -11.204 19.859 -4.361 1.00 62.42 H new ATOM 0 HB VAL A 4 -9.390 21.573 -5.066 1.00 53.44 H new ATOM 0 HG11 VAL A 4 -11.027 23.409 -5.126 1.00 40.25 H new ATOM 0 HG12 VAL A 4 -11.768 21.849 -5.557 1.00 40.25 H new ATOM 0 HG13 VAL A 4 -12.035 22.545 -3.941 1.00 40.25 H new ATOM 0 HG21 VAL A 4 -9.123 23.493 -3.551 1.00 5.51 H new ATOM 0 HG22 VAL A 4 -10.052 22.632 -2.301 1.00 5.51 H new ATOM 0 HG23 VAL A 4 -8.479 21.995 -2.838 1.00 5.51 H new ATOM 52 N PRO A 5 -8.861 18.867 -4.832 1.00 53.14 N ATOM 53 CA PRO A 5 -7.688 17.998 -4.965 1.00 61.01 C ATOM 54 C PRO A 5 -6.378 18.765 -4.820 1.00 71.41 C ATOM 55 O PRO A 5 -6.285 19.930 -5.205 1.00 65.30 O ATOM 56 CB PRO A 5 -7.823 17.436 -6.383 1.00 73.34 C ATOM 57 CG PRO A 5 -8.628 18.451 -7.118 1.00 44.15 C ATOM 58 CD PRO A 5 -9.574 19.040 -6.108 1.00 45.13 C ATOM 0 HA PRO A 5 -7.657 17.234 -4.189 1.00 61.01 H new ATOM 0 HB2 PRO A 5 -6.847 17.293 -6.847 1.00 73.34 H new ATOM 0 HB3 PRO A 5 -8.319 16.465 -6.379 1.00 73.34 H new ATOM 0 HG2 PRO A 5 -7.987 19.221 -7.548 1.00 44.15 H new ATOM 0 HG3 PRO A 5 -9.174 17.993 -7.943 1.00 44.15 H new ATOM 0 HD2 PRO A 5 -9.779 20.090 -6.314 1.00 45.13 H new ATOM 0 HD3 PRO A 5 -10.533 18.522 -6.106 1.00 45.13 H new ATOM 63 N ARG A 6 -5.370 18.104 -4.260 1.00 71.32 N ATOM 64 CA ARG A 6 -4.066 18.725 -4.062 1.00 45.31 C ATOM 65 C ARG A 6 -2.942 17.735 -4.357 1.00 30.02 C ATOM 66 O ARG A 6 -2.994 16.579 -3.940 1.00 11.21 O ATOM 67 CB ARG A 6 -3.937 19.247 -2.630 1.00 22.23 C ATOM 68 CG ARG A 6 -4.945 20.331 -2.284 1.00 55.41 C ATOM 69 CD ARG A 6 -4.697 21.599 -3.085 1.00 23.02 C ATOM 70 NE ARG A 6 -4.761 22.795 -2.249 1.00 65.41 N ATOM 71 CZ ARG A 6 -3.757 23.211 -1.484 1.00 70.53 C ATOM 72 NH1 ARG A 6 -2.619 22.532 -1.450 1.00 73.31 N ATOM 73 NH2 ARG A 6 -3.891 24.310 -0.750 1.00 13.51 N ATOM 0 H ARG A 6 -5.431 17.139 -3.936 1.00 71.32 H new ATOM 0 HA ARG A 6 -3.982 19.562 -4.755 1.00 45.31 H new ATOM 0 HB2 ARG A 6 -4.059 18.415 -1.937 1.00 22.23 H new ATOM 0 HB3 ARG A 6 -2.930 19.639 -2.484 1.00 22.23 H new ATOM 0 HG2 ARG A 6 -5.954 19.967 -2.480 1.00 55.41 H new ATOM 0 HG3 ARG A 6 -4.888 20.555 -1.219 1.00 55.41 H new ATOM 0 HD2 ARG A 6 -3.718 21.541 -3.561 1.00 23.02 H new ATOM 0 HD3 ARG A 6 -5.436 21.674 -3.883 1.00 23.02 H new ATOM 0 HE ARG A 6 -5.623 23.340 -2.253 1.00 65.41 H new ATOM 0 HH11 ARG A 6 -2.512 21.688 -2.012 1.00 73.31 H new ATOM 0 HH12 ARG A 6 -1.850 22.854 -0.862 1.00 73.31 H new ATOM 0 HH21 ARG A 6 -4.765 24.835 -0.773 1.00 13.51 H new ATOM 0 HH22 ARG A 6 -3.120 24.629 -0.163 1.00 13.51 H new ATOM 84 N GLY A 7 -1.927 18.198 -5.080 1.00 63.14 N ATOM 85 CA GLY A 7 -0.806 17.341 -5.419 1.00 32.13 C ATOM 86 C GLY A 7 -0.472 17.380 -6.897 1.00 60.55 C ATOM 87 O GLY A 7 -1.284 17.818 -7.712 1.00 51.34 O ATOM 0 H GLY A 7 -1.861 19.151 -5.437 1.00 63.14 H new ATOM 0 HA2 GLY A 7 0.068 17.647 -4.844 1.00 32.13 H new ATOM 0 HA3 GLY A 7 -1.036 16.316 -5.129 1.00 32.13 H new ATOM 91 N SER A 8 0.728 16.924 -7.243 1.00 13.34 N ATOM 92 CA SER A 8 1.169 16.914 -8.633 1.00 40.34 C ATOM 93 C SER A 8 1.043 15.517 -9.233 1.00 44.12 C ATOM 94 O SER A 8 1.027 15.353 -10.452 1.00 51.32 O ATOM 95 CB SER A 8 2.618 17.396 -8.733 1.00 11.31 C ATOM 96 OG SER A 8 2.698 18.803 -8.592 1.00 1.32 O ATOM 0 H SER A 8 1.411 16.557 -6.581 1.00 13.34 H new ATOM 0 HA SER A 8 0.528 17.591 -9.197 1.00 40.34 H new ATOM 0 HB2 SER A 8 3.219 16.915 -7.961 1.00 11.31 H new ATOM 0 HB3 SER A 8 3.038 17.099 -9.694 1.00 11.31 H new ATOM 0 HG SER A 8 3.634 19.086 -8.658 1.00 1.32 H new ATOM 101 N MET A 9 0.956 14.513 -8.366 1.00 21.54 N ATOM 102 CA MET A 9 0.830 13.130 -8.810 1.00 54.14 C ATOM 103 C MET A 9 -0.604 12.635 -8.648 1.00 60.45 C ATOM 104 O MET A 9 -1.225 12.837 -7.605 1.00 21.00 O ATOM 105 CB MET A 9 1.784 12.230 -8.021 1.00 4.00 C ATOM 106 CG MET A 9 2.977 12.972 -7.440 1.00 70.52 C ATOM 107 SD MET A 9 4.029 13.700 -8.709 1.00 10.11 S ATOM 108 CE MET A 9 4.429 12.254 -9.688 1.00 35.32 C ATOM 0 H MET A 9 0.970 14.631 -7.353 1.00 21.54 H new ATOM 0 HA MET A 9 1.093 13.089 -9.867 1.00 54.14 H new ATOM 0 HB2 MET A 9 1.233 11.753 -7.210 1.00 4.00 H new ATOM 0 HB3 MET A 9 2.144 11.435 -8.674 1.00 4.00 H new ATOM 0 HG2 MET A 9 2.621 13.758 -6.774 1.00 70.52 H new ATOM 0 HG3 MET A 9 3.568 12.284 -6.835 1.00 70.52 H new ATOM 0 HE1 MET A 9 5.475 12.298 -9.991 1.00 35.32 H new ATOM 0 HE2 MET A 9 4.260 11.355 -9.095 1.00 35.32 H new ATOM 0 HE3 MET A 9 3.795 12.228 -10.575 1.00 35.32 H new ATOM 116 N GLN A 10 -1.122 11.987 -9.686 1.00 1.43 N ATOM 117 CA GLN A 10 -2.483 11.465 -9.658 1.00 75.02 C ATOM 118 C GLN A 10 -2.514 9.999 -10.081 1.00 65.22 C ATOM 119 O GLN A 10 -1.733 9.573 -10.933 1.00 62.44 O ATOM 120 CB GLN A 10 -3.388 12.290 -10.575 1.00 63.52 C ATOM 121 CG GLN A 10 -3.437 13.767 -10.213 1.00 52.24 C ATOM 122 CD GLN A 10 -3.651 14.657 -11.421 1.00 73.01 C ATOM 123 OE1 GLN A 10 -3.667 14.186 -12.558 1.00 43.21 O ATOM 124 NE2 GLN A 10 -3.818 15.952 -11.179 1.00 32.42 N ATOM 0 H GLN A 10 -0.620 11.811 -10.556 1.00 1.43 H new ATOM 0 HA GLN A 10 -2.851 11.537 -8.634 1.00 75.02 H new ATOM 0 HB2 GLN A 10 -3.040 12.188 -11.603 1.00 63.52 H new ATOM 0 HB3 GLN A 10 -4.398 11.882 -10.538 1.00 63.52 H new ATOM 0 HG2 GLN A 10 -4.241 13.935 -9.496 1.00 52.24 H new ATOM 0 HG3 GLN A 10 -2.506 14.047 -9.720 1.00 52.24 H new ATOM 0 HE21 GLN A 10 -3.797 16.298 -10.220 1.00 32.42 H new ATOM 0 HE22 GLN A 10 -3.967 16.600 -11.952 1.00 32.42 H new ATOM 131 N ILE A 11 -3.417 9.235 -9.479 1.00 15.53 N ATOM 132 CA ILE A 11 -3.549 7.817 -9.794 1.00 23.15 C ATOM 133 C ILE A 11 -4.995 7.355 -9.653 1.00 54.13 C ATOM 134 O ILE A 11 -5.858 8.107 -9.201 1.00 70.31 O ATOM 135 CB ILE A 11 -2.655 6.953 -8.886 1.00 62.23 C ATOM 136 CG1 ILE A 11 -2.078 5.776 -9.672 1.00 41.43 C ATOM 137 CG2 ILE A 11 -3.443 6.458 -7.682 1.00 50.11 C ATOM 138 CD1 ILE A 11 -0.920 5.093 -8.977 1.00 3.41 C ATOM 0 H ILE A 11 -4.068 9.573 -8.770 1.00 15.53 H new ATOM 0 HA ILE A 11 -3.230 7.693 -10.829 1.00 23.15 H new ATOM 0 HB ILE A 11 -1.828 7.566 -8.527 1.00 62.23 H new ATOM 0 HG12 ILE A 11 -2.867 5.045 -9.848 1.00 41.43 H new ATOM 0 HG13 ILE A 11 -1.747 6.129 -10.649 1.00 41.43 H new ATOM 0 HG21 ILE A 11 -2.797 5.849 -7.050 1.00 50.11 H new ATOM 0 HG22 ILE A 11 -3.809 7.311 -7.111 1.00 50.11 H new ATOM 0 HG23 ILE A 11 -4.288 5.859 -8.021 1.00 50.11 H new ATOM 0 HD11 ILE A 11 -0.562 4.268 -9.593 1.00 3.41 H new ATOM 0 HD12 ILE A 11 -0.113 5.810 -8.825 1.00 3.41 H new ATOM 0 HD13 ILE A 11 -1.250 4.709 -8.012 1.00 3.41 H new ATOM 149 N PHE A 12 -5.253 6.110 -10.041 1.00 12.34 N ATOM 150 CA PHE A 12 -6.595 5.546 -9.959 1.00 73.41 C ATOM 151 C PHE A 12 -6.700 4.564 -8.795 1.00 54.51 C ATOM 152 O PHE A 12 -5.954 3.586 -8.724 1.00 35.54 O ATOM 153 CB PHE A 12 -6.959 4.844 -11.268 1.00 70.13 C ATOM 154 CG PHE A 12 -7.968 5.593 -12.090 1.00 15.04 C ATOM 155 CD1 PHE A 12 -7.707 6.882 -12.527 1.00 70.43 C ATOM 156 CD2 PHE A 12 -9.179 5.009 -12.426 1.00 70.52 C ATOM 157 CE1 PHE A 12 -8.634 7.574 -13.282 1.00 75.42 C ATOM 158 CE2 PHE A 12 -10.110 5.696 -13.182 1.00 74.44 C ATOM 159 CZ PHE A 12 -9.837 6.980 -13.611 1.00 32.40 C ATOM 0 H PHE A 12 -4.550 5.473 -10.415 1.00 12.34 H new ATOM 0 HA PHE A 12 -7.296 6.363 -9.788 1.00 73.41 H new ATOM 0 HB2 PHE A 12 -6.054 4.703 -11.859 1.00 70.13 H new ATOM 0 HB3 PHE A 12 -7.351 3.852 -11.042 1.00 70.13 H new ATOM 0 HD1 PHE A 12 -6.768 7.351 -12.274 1.00 70.43 H new ATOM 0 HD2 PHE A 12 -9.398 4.005 -12.093 1.00 70.52 H new ATOM 0 HE1 PHE A 12 -8.418 8.579 -13.615 1.00 75.42 H new ATOM 0 HE2 PHE A 12 -11.050 5.229 -13.437 1.00 74.44 H new ATOM 0 HZ PHE A 12 -10.563 7.519 -14.202 1.00 32.40 H new ATOM 168 N VAL A 13 -7.632 4.830 -7.886 1.00 72.12 N ATOM 169 CA VAL A 13 -7.836 3.970 -6.725 1.00 3.12 C ATOM 170 C VAL A 13 -9.316 3.661 -6.525 1.00 45.05 C ATOM 171 O VAL A 13 -10.167 4.541 -6.649 1.00 53.31 O ATOM 172 CB VAL A 13 -7.279 4.617 -5.443 1.00 4.51 C ATOM 173 CG1 VAL A 13 -7.612 3.764 -4.227 1.00 4.51 C ATOM 174 CG2 VAL A 13 -5.777 4.826 -5.562 1.00 24.23 C ATOM 0 H VAL A 13 -8.258 5.634 -7.930 1.00 72.12 H new ATOM 0 HA VAL A 13 -7.297 3.043 -6.918 1.00 3.12 H new ATOM 0 HB VAL A 13 -7.750 5.592 -5.314 1.00 4.51 H new ATOM 0 HG11 VAL A 13 -7.211 4.236 -3.330 1.00 4.51 H new ATOM 0 HG12 VAL A 13 -8.694 3.669 -4.134 1.00 4.51 H new ATOM 0 HG13 VAL A 13 -7.170 2.775 -4.345 1.00 4.51 H new ATOM 0 HG21 VAL A 13 -5.400 5.284 -4.648 1.00 24.23 H new ATOM 0 HG22 VAL A 13 -5.287 3.865 -5.715 1.00 24.23 H new ATOM 0 HG23 VAL A 13 -5.567 5.479 -6.409 1.00 24.23 H new ATOM 184 N LYS A 14 -9.614 2.405 -6.211 1.00 41.51 N ATOM 185 CA LYS A 14 -10.990 1.978 -5.991 1.00 74.13 C ATOM 186 C LYS A 14 -11.173 1.445 -4.573 1.00 14.04 C ATOM 187 O LYS A 14 -10.320 0.725 -4.054 1.00 62.45 O ATOM 188 CB LYS A 14 -11.381 0.901 -7.005 1.00 1.33 C ATOM 189 CG LYS A 14 -11.332 1.378 -8.447 1.00 52.30 C ATOM 190 CD LYS A 14 -12.265 2.556 -8.677 1.00 70.25 C ATOM 191 CE LYS A 14 -13.714 2.181 -8.406 1.00 52.44 C ATOM 192 NZ LYS A 14 -14.139 0.998 -9.205 1.00 44.43 N ATOM 0 H LYS A 14 -8.921 1.665 -6.103 1.00 41.51 H new ATOM 0 HA LYS A 14 -11.638 2.844 -6.123 1.00 74.13 H new ATOM 0 HB2 LYS A 14 -10.714 0.047 -6.891 1.00 1.33 H new ATOM 0 HB3 LYS A 14 -12.389 0.551 -6.781 1.00 1.33 H new ATOM 0 HG2 LYS A 14 -10.312 1.666 -8.702 1.00 52.30 H new ATOM 0 HG3 LYS A 14 -11.608 0.559 -9.112 1.00 52.30 H new ATOM 0 HD2 LYS A 14 -11.975 3.383 -8.029 1.00 70.25 H new ATOM 0 HD3 LYS A 14 -12.165 2.906 -9.704 1.00 70.25 H new ATOM 0 HE2 LYS A 14 -13.842 1.967 -7.345 1.00 52.44 H new ATOM 0 HE3 LYS A 14 -14.358 3.028 -8.640 1.00 52.44 H new ATOM 0 HZ1 LYS A 14 -15.174 0.906 -9.166 1.00 44.43 H new ATOM 0 HZ2 LYS A 14 -13.840 1.121 -10.193 1.00 44.43 H new ATOM 0 HZ3 LYS A 14 -13.700 0.140 -8.815 1.00 44.43 H new ATOM 202 N THR A 15 -12.294 1.801 -3.952 1.00 44.13 N ATOM 203 CA THR A 15 -12.589 1.359 -2.596 1.00 75.33 C ATOM 204 C THR A 15 -13.501 0.138 -2.601 1.00 15.33 C ATOM 205 O THR A 15 -13.832 -0.398 -3.660 1.00 5.02 O ATOM 206 CB THR A 15 -13.254 2.478 -1.772 1.00 21.33 C ATOM 207 OG1 THR A 15 -14.562 2.754 -2.286 1.00 72.20 O ATOM 208 CG2 THR A 15 -12.413 3.746 -1.803 1.00 50.20 C ATOM 0 H THR A 15 -13.012 2.394 -4.368 1.00 44.13 H new ATOM 0 HA THR A 15 -11.636 1.096 -2.136 1.00 75.33 H new ATOM 0 HB THR A 15 -13.334 2.140 -0.739 1.00 21.33 H new ATOM 0 HG1 THR A 15 -14.915 3.565 -1.865 1.00 72.20 H new ATOM 0 HG21 THR A 15 -12.903 4.522 -1.214 1.00 50.20 H new ATOM 0 HG22 THR A 15 -11.428 3.540 -1.384 1.00 50.20 H new ATOM 0 HG23 THR A 15 -12.305 4.086 -2.833 1.00 50.20 H new ATOM 216 N LEU A 16 -13.908 -0.297 -1.414 1.00 1.31 N ATOM 217 CA LEU A 16 -14.784 -1.456 -1.282 1.00 53.34 C ATOM 218 C LEU A 16 -16.216 -1.104 -1.675 1.00 42.11 C ATOM 219 O LEU A 16 -16.977 -1.961 -2.124 1.00 53.01 O ATOM 220 CB LEU A 16 -14.753 -1.984 0.153 1.00 61.24 C ATOM 221 CG LEU A 16 -13.368 -2.292 0.725 1.00 1.04 C ATOM 222 CD1 LEU A 16 -13.045 -1.353 1.877 1.00 13.35 C ATOM 223 CD2 LEU A 16 -13.288 -3.742 1.177 1.00 41.23 C ATOM 0 H LEU A 16 -13.645 0.136 -0.528 1.00 1.31 H new ATOM 0 HA LEU A 16 -14.421 -2.232 -1.956 1.00 53.34 H new ATOM 0 HB2 LEU A 16 -15.236 -1.251 0.799 1.00 61.24 H new ATOM 0 HB3 LEU A 16 -15.353 -2.893 0.198 1.00 61.24 H new ATOM 0 HG LEU A 16 -12.629 -2.137 -0.061 1.00 1.04 H new ATOM 0 HD11 LEU A 16 -12.056 -1.587 2.271 1.00 13.35 H new ATOM 0 HD12 LEU A 16 -13.059 -0.323 1.522 1.00 13.35 H new ATOM 0 HD13 LEU A 16 -13.788 -1.475 2.665 1.00 13.35 H new ATOM 0 HD21 LEU A 16 -12.296 -3.943 1.581 1.00 41.23 H new ATOM 0 HD22 LEU A 16 -14.037 -3.925 1.947 1.00 41.23 H new ATOM 0 HD23 LEU A 16 -13.474 -4.399 0.327 1.00 41.23 H new ATOM 234 N THR A 17 -16.575 0.164 -1.506 1.00 62.55 N ATOM 235 CA THR A 17 -17.914 0.631 -1.843 1.00 61.20 C ATOM 236 C THR A 17 -17.981 1.111 -3.288 1.00 11.20 C ATOM 237 O THR A 17 -19.011 0.983 -3.948 1.00 53.22 O ATOM 238 CB THR A 17 -18.362 1.775 -0.913 1.00 73.14 C ATOM 239 OG1 THR A 17 -19.760 2.028 -1.087 1.00 65.23 O ATOM 240 CG2 THR A 17 -17.571 3.043 -1.196 1.00 30.20 C ATOM 0 H THR A 17 -15.957 0.887 -1.137 1.00 62.55 H new ATOM 0 HA THR A 17 -18.586 -0.217 -1.713 1.00 61.20 H new ATOM 0 HB THR A 17 -18.174 1.472 0.117 1.00 73.14 H new ATOM 0 HG1 THR A 17 -20.037 2.755 -0.492 1.00 65.23 H new ATOM 0 HG21 THR A 17 -17.905 3.837 -0.528 1.00 30.20 H new ATOM 0 HG22 THR A 17 -16.510 2.854 -1.034 1.00 30.20 H new ATOM 0 HG23 THR A 17 -17.731 3.348 -2.230 1.00 30.20 H new ATOM 248 N GLY A 18 -16.874 1.664 -3.775 1.00 23.30 N ATOM 249 CA GLY A 18 -16.829 2.155 -5.141 1.00 60.41 C ATOM 250 C GLY A 18 -16.280 3.565 -5.232 1.00 75.55 C ATOM 251 O GLY A 18 -16.080 4.092 -6.326 1.00 32.44 O ATOM 0 H GLY A 18 -16.008 1.781 -3.249 1.00 23.30 H new ATOM 0 HA2 GLY A 18 -16.212 1.488 -5.743 1.00 60.41 H new ATOM 0 HA3 GLY A 18 -17.833 2.131 -5.566 1.00 60.41 H new ATOM 255 N LYS A 19 -16.036 4.179 -4.079 1.00 4.24 N ATOM 256 CA LYS A 19 -15.507 5.537 -4.032 1.00 52.54 C ATOM 257 C LYS A 19 -14.120 5.603 -4.663 1.00 50.04 C ATOM 258 O LYS A 19 -13.365 4.629 -4.634 1.00 21.25 O ATOM 259 CB LYS A 19 -15.445 6.032 -2.586 1.00 72.52 C ATOM 260 CG LYS A 19 -16.163 7.353 -2.364 1.00 52.24 C ATOM 261 CD LYS A 19 -17.668 7.198 -2.500 1.00 64.53 C ATOM 262 CE LYS A 19 -18.379 8.538 -2.377 1.00 51.35 C ATOM 263 NZ LYS A 19 -19.842 8.371 -2.155 1.00 70.03 N ATOM 0 H LYS A 19 -16.196 3.757 -3.164 1.00 4.24 H new ATOM 0 HA LYS A 19 -16.177 6.181 -4.602 1.00 52.54 H new ATOM 0 HB2 LYS A 19 -15.882 5.276 -1.933 1.00 72.52 H new ATOM 0 HB3 LYS A 19 -14.401 6.142 -2.293 1.00 72.52 H new ATOM 0 HG2 LYS A 19 -15.924 7.736 -1.372 1.00 52.24 H new ATOM 0 HG3 LYS A 19 -15.805 8.088 -3.085 1.00 52.24 H new ATOM 0 HD2 LYS A 19 -17.903 6.747 -3.464 1.00 64.53 H new ATOM 0 HD3 LYS A 19 -18.036 6.518 -1.732 1.00 64.53 H new ATOM 0 HE2 LYS A 19 -17.948 9.103 -1.550 1.00 51.35 H new ATOM 0 HE3 LYS A 19 -18.213 9.122 -3.283 1.00 51.35 H new ATOM 0 HZ1 LYS A 19 -20.290 9.306 -2.077 1.00 70.03 H new ATOM 0 HZ2 LYS A 19 -20.258 7.854 -2.956 1.00 70.03 H new ATOM 0 HZ3 LYS A 19 -20.001 7.836 -1.277 1.00 70.03 H new ATOM 273 N THR A 20 -13.787 6.758 -5.232 1.00 55.32 N ATOM 274 CA THR A 20 -12.490 6.950 -5.869 1.00 12.51 C ATOM 275 C THR A 20 -11.676 8.018 -5.148 1.00 32.32 C ATOM 276 O THR A 20 -12.201 9.072 -4.785 1.00 2.53 O ATOM 277 CB THR A 20 -12.646 7.350 -7.348 1.00 41.21 C ATOM 278 OG1 THR A 20 -13.919 7.969 -7.557 1.00 12.20 O ATOM 279 CG2 THR A 20 -12.511 6.135 -8.255 1.00 72.30 C ATOM 0 H THR A 20 -14.398 7.574 -5.264 1.00 55.32 H new ATOM 0 HA THR A 20 -11.964 5.997 -5.811 1.00 12.51 H new ATOM 0 HB THR A 20 -11.854 8.057 -7.595 1.00 41.21 H new ATOM 0 HG1 THR A 20 -14.009 8.222 -8.500 1.00 12.20 H new ATOM 0 HG21 THR A 20 -12.625 6.443 -9.295 1.00 72.30 H new ATOM 0 HG22 THR A 20 -11.528 5.684 -8.115 1.00 72.30 H new ATOM 0 HG23 THR A 20 -13.283 5.407 -8.005 1.00 72.30 H new ATOM 287 N ILE A 21 -10.393 7.741 -4.943 1.00 34.15 N ATOM 288 CA ILE A 21 -9.508 8.680 -4.267 1.00 2.51 C ATOM 289 C ILE A 21 -8.199 8.850 -5.032 1.00 30.31 C ATOM 290 O ILE A 21 -7.610 7.876 -5.501 1.00 11.55 O ATOM 291 CB ILE A 21 -9.193 8.222 -2.830 1.00 31.44 C ATOM 292 CG1 ILE A 21 -8.999 6.705 -2.786 1.00 61.14 C ATOM 293 CG2 ILE A 21 -10.307 8.647 -1.884 1.00 65.14 C ATOM 294 CD1 ILE A 21 -10.289 5.935 -2.613 1.00 32.22 C ATOM 0 H ILE A 21 -9.943 6.873 -5.236 1.00 34.15 H new ATOM 0 HA ILE A 21 -10.031 9.635 -4.229 1.00 2.51 H new ATOM 0 HB ILE A 21 -8.267 8.697 -2.507 1.00 31.44 H new ATOM 0 HG12 ILE A 21 -8.514 6.382 -3.707 1.00 61.14 H new ATOM 0 HG13 ILE A 21 -8.325 6.457 -1.966 1.00 61.14 H new ATOM 0 HG21 ILE A 21 -10.071 8.317 -0.872 1.00 65.14 H new ATOM 0 HG22 ILE A 21 -10.402 9.733 -1.898 1.00 65.14 H new ATOM 0 HG23 ILE A 21 -11.247 8.196 -2.203 1.00 65.14 H new ATOM 0 HD11 ILE A 21 -10.075 4.867 -2.590 1.00 32.22 H new ATOM 0 HD12 ILE A 21 -10.766 6.229 -1.678 1.00 32.22 H new ATOM 0 HD13 ILE A 21 -10.958 6.153 -3.446 1.00 32.22 H new ATOM 305 N THR A 22 -7.748 10.095 -5.153 1.00 71.40 N ATOM 306 CA THR A 22 -6.509 10.394 -5.860 1.00 53.03 C ATOM 307 C THR A 22 -5.294 10.101 -4.987 1.00 1.12 C ATOM 308 O THR A 22 -5.149 10.660 -3.899 1.00 21.04 O ATOM 309 CB THR A 22 -6.461 11.865 -6.311 1.00 71.52 C ATOM 310 OG1 THR A 22 -7.761 12.456 -6.199 1.00 54.12 O ATOM 311 CG2 THR A 22 -5.970 11.976 -7.747 1.00 75.23 C ATOM 0 H THR A 22 -8.223 10.913 -4.770 1.00 71.40 H new ATOM 0 HA THR A 22 -6.484 9.751 -6.740 1.00 53.03 H new ATOM 0 HB THR A 22 -5.764 12.397 -5.663 1.00 71.52 H new ATOM 0 HG1 THR A 22 -7.923 13.039 -6.970 1.00 54.12 H new ATOM 0 HG21 THR A 22 -5.945 13.025 -8.043 1.00 75.23 H new ATOM 0 HG22 THR A 22 -4.968 11.553 -7.823 1.00 75.23 H new ATOM 0 HG23 THR A 22 -6.645 11.429 -8.406 1.00 75.23 H new ATOM 319 N LEU A 23 -4.423 9.222 -5.470 1.00 44.21 N ATOM 320 CA LEU A 23 -3.217 8.856 -4.734 1.00 14.10 C ATOM 321 C LEU A 23 -1.971 9.401 -5.424 1.00 40.32 C ATOM 322 O LEU A 23 -1.988 9.688 -6.621 1.00 71.31 O ATOM 323 CB LEU A 23 -3.119 7.335 -4.604 1.00 63.11 C ATOM 324 CG LEU A 23 -3.260 6.772 -3.190 1.00 63.00 C ATOM 325 CD1 LEU A 23 -2.194 7.355 -2.274 1.00 14.15 C ATOM 326 CD2 LEU A 23 -4.651 7.053 -2.640 1.00 41.11 C ATOM 0 H LEU A 23 -4.529 8.749 -6.368 1.00 44.21 H new ATOM 0 HA LEU A 23 -3.280 9.297 -3.739 1.00 14.10 H new ATOM 0 HB2 LEU A 23 -3.890 6.886 -5.231 1.00 63.11 H new ATOM 0 HB3 LEU A 23 -2.157 7.017 -5.006 1.00 63.11 H new ATOM 0 HG LEU A 23 -3.120 5.692 -3.234 1.00 63.00 H new ATOM 0 HD11 LEU A 23 -2.310 6.943 -1.272 1.00 14.15 H new ATOM 0 HD12 LEU A 23 -1.206 7.102 -2.658 1.00 14.15 H new ATOM 0 HD13 LEU A 23 -2.301 8.439 -2.235 1.00 14.15 H new ATOM 0 HD21 LEU A 23 -4.733 6.645 -1.633 1.00 41.11 H new ATOM 0 HD22 LEU A 23 -4.820 8.129 -2.610 1.00 41.11 H new ATOM 0 HD23 LEU A 23 -5.397 6.586 -3.283 1.00 41.11 H new ATOM 337 N GLU A 24 -0.891 9.539 -4.661 1.00 14.03 N ATOM 338 CA GLU A 24 0.365 10.048 -5.200 1.00 13.32 C ATOM 339 C GLU A 24 1.323 8.904 -5.519 1.00 1.53 C ATOM 340 O GLU A 24 1.323 7.873 -4.847 1.00 71.31 O ATOM 341 CB GLU A 24 1.018 11.012 -4.208 1.00 34.35 C ATOM 342 CG GLU A 24 2.523 11.126 -4.371 1.00 2.31 C ATOM 343 CD GLU A 24 3.092 12.361 -3.700 1.00 31.43 C ATOM 344 OE1 GLU A 24 3.401 12.292 -2.492 1.00 40.52 O ATOM 345 OE2 GLU A 24 3.227 13.398 -4.383 1.00 53.03 O ATOM 0 H GLU A 24 -0.861 9.306 -3.669 1.00 14.03 H new ATOM 0 HA GLU A 24 0.144 10.583 -6.124 1.00 13.32 H new ATOM 0 HB2 GLU A 24 0.572 12.000 -4.327 1.00 34.35 H new ATOM 0 HB3 GLU A 24 0.795 10.682 -3.193 1.00 34.35 H new ATOM 0 HG2 GLU A 24 2.998 10.239 -3.953 1.00 2.31 H new ATOM 0 HG3 GLU A 24 2.769 11.148 -5.433 1.00 2.31 H new ATOM 350 N VAL A 25 2.138 9.094 -6.552 1.00 0.52 N ATOM 351 CA VAL A 25 3.102 8.080 -6.962 1.00 21.05 C ATOM 352 C VAL A 25 4.507 8.663 -7.054 1.00 1.13 C ATOM 353 O VAL A 25 4.681 9.844 -7.353 1.00 20.23 O ATOM 354 CB VAL A 25 2.724 7.463 -8.322 1.00 21.11 C ATOM 355 CG1 VAL A 25 3.371 6.097 -8.487 1.00 11.32 C ATOM 356 CG2 VAL A 25 1.212 7.366 -8.461 1.00 4.22 C ATOM 0 H VAL A 25 2.150 9.941 -7.120 1.00 0.52 H new ATOM 0 HA VAL A 25 3.084 7.300 -6.200 1.00 21.05 H new ATOM 0 HB VAL A 25 3.098 8.113 -9.113 1.00 21.11 H new ATOM 0 HG11 VAL A 25 3.093 5.677 -9.453 1.00 11.32 H new ATOM 0 HG12 VAL A 25 4.455 6.199 -8.434 1.00 11.32 H new ATOM 0 HG13 VAL A 25 3.030 5.434 -7.692 1.00 11.32 H new ATOM 0 HG21 VAL A 25 0.963 6.928 -9.428 1.00 4.22 H new ATOM 0 HG22 VAL A 25 0.813 6.738 -7.664 1.00 4.22 H new ATOM 0 HG23 VAL A 25 0.776 8.362 -8.391 1.00 4.22 H new ATOM 366 N GLU A 26 5.507 7.826 -6.798 1.00 72.45 N ATOM 367 CA GLU A 26 6.899 8.260 -6.851 1.00 71.13 C ATOM 368 C GLU A 26 7.838 7.122 -6.464 1.00 61.33 C ATOM 369 O GLU A 26 7.674 6.472 -5.430 1.00 0.54 O ATOM 370 CB GLU A 26 7.119 9.457 -5.924 1.00 71.24 C ATOM 371 CG GLU A 26 7.703 10.671 -6.626 1.00 74.24 C ATOM 372 CD GLU A 26 6.705 11.805 -6.758 1.00 72.45 C ATOM 373 OE1 GLU A 26 5.903 12.001 -5.821 1.00 30.41 O ATOM 374 OE2 GLU A 26 6.727 12.496 -7.796 1.00 5.32 O ATOM 0 H GLU A 26 5.380 6.844 -6.552 1.00 72.45 H new ATOM 0 HA GLU A 26 7.122 8.559 -7.875 1.00 71.13 H new ATOM 0 HB2 GLU A 26 6.168 9.733 -5.469 1.00 71.24 H new ATOM 0 HB3 GLU A 26 7.785 9.161 -5.114 1.00 71.24 H new ATOM 0 HG2 GLU A 26 8.574 11.022 -6.073 1.00 74.24 H new ATOM 0 HG3 GLU A 26 8.050 10.380 -7.617 1.00 74.24 H new ATOM 379 N PRO A 27 8.848 6.874 -7.310 1.00 51.51 N ATOM 380 CA PRO A 27 9.835 5.814 -7.079 1.00 34.25 C ATOM 381 C PRO A 27 10.762 6.132 -5.911 1.00 45.41 C ATOM 382 O PRO A 27 11.473 5.258 -5.415 1.00 43.53 O ATOM 383 CB PRO A 27 10.621 5.769 -8.391 1.00 11.41 C ATOM 384 CG PRO A 27 10.471 7.133 -8.970 1.00 1.14 C ATOM 385 CD PRO A 27 9.105 7.608 -8.561 1.00 30.35 C ATOM 0 HA PRO A 27 9.364 4.867 -6.818 1.00 34.25 H new ATOM 0 HB2 PRO A 27 11.669 5.526 -8.216 1.00 11.41 H new ATOM 0 HB3 PRO A 27 10.225 5.008 -9.063 1.00 11.41 H new ATOM 0 HG2 PRO A 27 11.245 7.803 -8.596 1.00 1.14 H new ATOM 0 HG3 PRO A 27 10.567 7.109 -10.055 1.00 1.14 H new ATOM 0 HD2 PRO A 27 9.085 8.687 -8.405 1.00 30.35 H new ATOM 0 HD3 PRO A 27 8.357 7.381 -9.321 1.00 30.35 H new ATOM 390 N SER A 28 10.752 7.389 -5.477 1.00 12.12 N ATOM 391 CA SER A 28 11.595 7.823 -4.370 1.00 41.52 C ATOM 392 C SER A 28 10.756 8.122 -3.132 1.00 32.34 C ATOM 393 O SER A 28 11.285 8.269 -2.030 1.00 3.44 O ATOM 394 CB SER A 28 12.398 9.063 -4.769 1.00 35.34 C ATOM 395 OG SER A 28 11.552 10.188 -4.926 1.00 2.23 O ATOM 0 H SER A 28 10.169 8.125 -5.876 1.00 12.12 H new ATOM 0 HA SER A 28 12.285 7.013 -4.132 1.00 41.52 H new ATOM 0 HB2 SER A 28 13.151 9.273 -4.009 1.00 35.34 H new ATOM 0 HB3 SER A 28 12.930 8.871 -5.701 1.00 35.34 H new ATOM 0 HG SER A 28 12.089 10.968 -5.179 1.00 2.23 H new ATOM 400 N ASP A 29 9.444 8.210 -3.322 1.00 21.32 N ATOM 401 CA ASP A 29 8.529 8.491 -2.222 1.00 53.32 C ATOM 402 C ASP A 29 7.777 7.231 -1.806 1.00 15.12 C ATOM 403 O ASP A 29 7.244 6.505 -2.647 1.00 5.22 O ATOM 404 CB ASP A 29 7.537 9.584 -2.621 1.00 4.25 C ATOM 405 CG ASP A 29 8.224 10.809 -3.192 1.00 22.00 C ATOM 406 OD1 ASP A 29 9.452 10.941 -3.009 1.00 51.14 O ATOM 407 OD2 ASP A 29 7.534 11.635 -3.824 1.00 22.53 O ATOM 0 H ASP A 29 8.990 8.091 -4.228 1.00 21.32 H new ATOM 0 HA ASP A 29 9.117 8.839 -1.373 1.00 53.32 H new ATOM 0 HB2 ASP A 29 6.839 9.186 -3.358 1.00 4.25 H new ATOM 0 HB3 ASP A 29 6.950 9.873 -1.749 1.00 4.25 H new ATOM 411 N THR A 30 7.736 6.974 -0.502 1.00 25.52 N ATOM 412 CA THR A 30 7.052 5.801 0.026 1.00 31.42 C ATOM 413 C THR A 30 5.657 6.159 0.528 1.00 74.13 C ATOM 414 O THR A 30 5.297 7.333 0.605 1.00 63.31 O ATOM 415 CB THR A 30 7.848 5.156 1.175 1.00 52.35 C ATOM 416 OG1 THR A 30 7.107 4.063 1.731 1.00 63.14 O ATOM 417 CG2 THR A 30 8.153 6.174 2.263 1.00 3.03 C ATOM 0 H THR A 30 8.169 7.564 0.208 1.00 25.52 H new ATOM 0 HA THR A 30 6.969 5.087 -0.794 1.00 31.42 H new ATOM 0 HB THR A 30 8.791 4.788 0.771 1.00 52.35 H new ATOM 0 HG1 THR A 30 7.145 4.106 2.709 1.00 63.14 H new ATOM 0 HG21 THR A 30 8.716 5.694 3.063 1.00 3.03 H new ATOM 0 HG22 THR A 30 8.742 6.989 1.844 1.00 3.03 H new ATOM 0 HG23 THR A 30 7.219 6.570 2.663 1.00 3.03 H new ATOM 425 N ILE A 31 4.877 5.138 0.869 1.00 33.42 N ATOM 426 CA ILE A 31 3.522 5.346 1.366 1.00 22.01 C ATOM 427 C ILE A 31 3.506 6.346 2.517 1.00 63.02 C ATOM 428 O ILE A 31 2.516 7.047 2.729 1.00 40.53 O ATOM 429 CB ILE A 31 2.888 4.026 1.840 1.00 54.42 C ATOM 430 CG1 ILE A 31 2.481 3.169 0.638 1.00 62.02 C ATOM 431 CG2 ILE A 31 1.686 4.304 2.729 1.00 35.22 C ATOM 432 CD1 ILE A 31 3.642 2.446 -0.009 1.00 12.22 C ATOM 0 H ILE A 31 5.160 4.160 0.810 1.00 33.42 H new ATOM 0 HA ILE A 31 2.939 5.742 0.535 1.00 22.01 H new ATOM 0 HB ILE A 31 3.626 3.475 2.423 1.00 54.42 H new ATOM 0 HG12 ILE A 31 1.740 2.436 0.958 1.00 62.02 H new ATOM 0 HG13 ILE A 31 2.000 3.805 -0.105 1.00 62.02 H new ATOM 0 HG21 ILE A 31 1.249 3.360 3.056 1.00 35.22 H new ATOM 0 HG22 ILE A 31 2.003 4.878 3.600 1.00 35.22 H new ATOM 0 HG23 ILE A 31 0.944 4.873 2.170 1.00 35.22 H new ATOM 0 HD11 ILE A 31 3.280 1.859 -0.853 1.00 12.22 H new ATOM 0 HD12 ILE A 31 4.374 3.174 -0.360 1.00 12.22 H new ATOM 0 HD13 ILE A 31 4.110 1.784 0.720 1.00 12.22 H new ATOM 443 N GLU A 32 4.610 6.408 3.255 1.00 34.33 N ATOM 444 CA GLU A 32 4.721 7.325 4.384 1.00 40.25 C ATOM 445 C GLU A 32 4.354 8.747 3.970 1.00 55.32 C ATOM 446 O GLU A 32 3.485 9.375 4.574 1.00 41.14 O ATOM 447 CB GLU A 32 6.143 7.298 4.952 1.00 30.00 C ATOM 448 CG GLU A 32 6.421 6.098 5.841 1.00 21.34 C ATOM 449 CD GLU A 32 6.155 4.779 5.141 1.00 74.43 C ATOM 450 OE1 GLU A 32 4.976 4.376 5.062 1.00 3.32 O ATOM 451 OE2 GLU A 32 7.128 4.150 4.674 1.00 10.11 O ATOM 0 H GLU A 32 5.438 5.836 3.092 1.00 34.33 H new ATOM 0 HA GLU A 32 4.022 6.999 5.154 1.00 40.25 H new ATOM 0 HB2 GLU A 32 6.855 7.301 4.127 1.00 30.00 H new ATOM 0 HB3 GLU A 32 6.314 8.210 5.523 1.00 30.00 H new ATOM 0 HG2 GLU A 32 7.460 6.127 6.170 1.00 21.34 H new ATOM 0 HG3 GLU A 32 5.801 6.162 6.735 1.00 21.34 H new ATOM 456 N ASN A 33 5.022 9.246 2.936 1.00 22.44 N ATOM 457 CA ASN A 33 4.767 10.594 2.441 1.00 34.24 C ATOM 458 C ASN A 33 3.496 10.633 1.598 1.00 10.21 C ATOM 459 O ASN A 33 2.706 11.573 1.688 1.00 52.24 O ATOM 460 CB ASN A 33 5.955 11.090 1.615 1.00 1.44 C ATOM 461 CG ASN A 33 7.123 11.520 2.481 1.00 24.42 C ATOM 462 OD1 ASN A 33 7.314 11.006 3.583 1.00 64.32 O ATOM 463 ND2 ASN A 33 7.909 12.469 1.986 1.00 62.31 N ATOM 0 H ASN A 33 5.744 8.738 2.425 1.00 22.44 H new ATOM 0 HA ASN A 33 4.632 11.250 3.301 1.00 34.24 H new ATOM 0 HB2 ASN A 33 6.279 10.299 0.939 1.00 1.44 H new ATOM 0 HB3 ASN A 33 5.638 11.929 0.995 1.00 1.44 H new ATOM 0 HD21 ASN A 33 8.709 12.800 2.524 1.00 62.31 H new ATOM 0 HD22 ASN A 33 7.712 12.866 1.067 1.00 62.31 H new ATOM 469 N VAL A 34 3.304 9.603 0.779 1.00 45.52 N ATOM 470 CA VAL A 34 2.128 9.518 -0.080 1.00 60.12 C ATOM 471 C VAL A 34 0.844 9.611 0.737 1.00 1.00 C ATOM 472 O VAL A 34 -0.165 10.138 0.269 1.00 31.11 O ATOM 473 CB VAL A 34 2.116 8.206 -0.886 1.00 73.04 C ATOM 474 CG1 VAL A 34 0.968 8.202 -1.884 1.00 24.22 C ATOM 475 CG2 VAL A 34 3.449 8.003 -1.592 1.00 15.23 C ATOM 0 H VAL A 34 3.947 8.816 0.692 1.00 45.52 H new ATOM 0 HA VAL A 34 2.178 10.360 -0.771 1.00 60.12 H new ATOM 0 HB VAL A 34 1.967 7.376 -0.195 1.00 73.04 H new ATOM 0 HG11 VAL A 34 0.976 7.267 -2.444 1.00 24.22 H new ATOM 0 HG12 VAL A 34 0.022 8.298 -1.351 1.00 24.22 H new ATOM 0 HG13 VAL A 34 1.082 9.039 -2.573 1.00 24.22 H new ATOM 0 HG21 VAL A 34 3.423 7.071 -2.157 1.00 15.23 H new ATOM 0 HG22 VAL A 34 3.631 8.835 -2.272 1.00 15.23 H new ATOM 0 HG23 VAL A 34 4.249 7.957 -0.853 1.00 15.23 H new ATOM 485 N LYS A 35 0.889 9.098 1.962 1.00 40.24 N ATOM 486 CA LYS A 35 -0.269 9.125 2.846 1.00 34.33 C ATOM 487 C LYS A 35 -0.830 10.539 2.966 1.00 53.54 C ATOM 488 O LYS A 35 -2.028 10.726 3.175 1.00 14.41 O ATOM 489 CB LYS A 35 0.109 8.595 4.231 1.00 30.43 C ATOM 490 CG LYS A 35 0.641 9.666 5.168 1.00 40.33 C ATOM 491 CD LYS A 35 1.286 9.057 6.401 1.00 4.11 C ATOM 492 CE LYS A 35 2.221 10.043 7.086 1.00 64.21 C ATOM 493 NZ LYS A 35 3.415 9.367 7.662 1.00 44.44 N ATOM 0 H LYS A 35 1.716 8.658 2.365 1.00 40.24 H new ATOM 0 HA LYS A 35 -1.038 8.484 2.416 1.00 34.33 H new ATOM 0 HB2 LYS A 35 -0.766 8.130 4.684 1.00 30.43 H new ATOM 0 HB3 LYS A 35 0.862 7.815 4.119 1.00 30.43 H new ATOM 0 HG2 LYS A 35 1.370 10.282 4.641 1.00 40.33 H new ATOM 0 HG3 LYS A 35 -0.174 10.324 5.470 1.00 40.33 H new ATOM 0 HD2 LYS A 35 0.511 8.743 7.100 1.00 4.11 H new ATOM 0 HD3 LYS A 35 1.842 8.163 6.118 1.00 4.11 H new ATOM 0 HE2 LYS A 35 2.542 10.798 6.368 1.00 64.21 H new ATOM 0 HE3 LYS A 35 1.682 10.565 7.877 1.00 64.21 H new ATOM 0 HZ1 LYS A 35 4.027 10.073 8.119 1.00 44.44 H new ATOM 0 HZ2 LYS A 35 3.110 8.665 8.366 1.00 44.44 H new ATOM 0 HZ3 LYS A 35 3.944 8.890 6.904 1.00 44.44 H new ATOM 503 N ALA A 36 0.045 11.530 2.832 1.00 61.31 N ATOM 504 CA ALA A 36 -0.364 12.927 2.922 1.00 53.15 C ATOM 505 C ALA A 36 -1.307 13.296 1.782 1.00 25.42 C ATOM 506 O ALA A 36 -2.179 14.152 1.937 1.00 2.45 O ATOM 507 CB ALA A 36 0.856 13.835 2.917 1.00 32.41 C ATOM 0 H ALA A 36 1.041 11.392 2.661 1.00 61.31 H new ATOM 0 HA ALA A 36 -0.900 13.064 3.861 1.00 53.15 H new ATOM 0 HB1 ALA A 36 0.536 14.875 2.985 1.00 32.41 H new ATOM 0 HB2 ALA A 36 1.492 13.595 3.769 1.00 32.41 H new ATOM 0 HB3 ALA A 36 1.416 13.687 1.994 1.00 32.41 H new ATOM 513 N LYS A 37 -1.125 12.649 0.636 1.00 71.25 N ATOM 514 CA LYS A 37 -1.959 12.909 -0.530 1.00 12.14 C ATOM 515 C LYS A 37 -3.332 12.264 -0.373 1.00 35.43 C ATOM 516 O LYS A 37 -4.361 12.923 -0.537 1.00 41.25 O ATOM 517 CB LYS A 37 -1.279 12.383 -1.797 1.00 33.55 C ATOM 518 CG LYS A 37 -0.798 13.481 -2.729 1.00 1.02 C ATOM 519 CD LYS A 37 0.658 13.831 -2.473 1.00 25.33 C ATOM 520 CE LYS A 37 0.787 15.080 -1.613 1.00 11.44 C ATOM 521 NZ LYS A 37 1.948 14.996 -0.684 1.00 4.53 N ATOM 0 H LYS A 37 -0.406 11.940 0.490 1.00 71.25 H new ATOM 0 HA LYS A 37 -2.092 13.987 -0.616 1.00 12.14 H new ATOM 0 HB2 LYS A 37 -0.430 11.762 -1.512 1.00 33.55 H new ATOM 0 HB3 LYS A 37 -1.977 11.742 -2.335 1.00 33.55 H new ATOM 0 HG2 LYS A 37 -0.920 13.161 -3.764 1.00 1.02 H new ATOM 0 HG3 LYS A 37 -1.416 14.369 -2.596 1.00 1.02 H new ATOM 0 HD2 LYS A 37 1.153 12.995 -1.979 1.00 25.33 H new ATOM 0 HD3 LYS A 37 1.168 13.988 -3.423 1.00 25.33 H new ATOM 0 HE2 LYS A 37 0.898 15.953 -2.255 1.00 11.44 H new ATOM 0 HE3 LYS A 37 -0.128 15.222 -1.038 1.00 11.44 H new ATOM 0 HZ1 LYS A 37 1.982 15.851 -0.092 1.00 4.53 H new ATOM 0 HZ2 LYS A 37 1.847 14.158 -0.077 1.00 4.53 H new ATOM 0 HZ3 LYS A 37 2.828 14.921 -1.234 1.00 4.53 H new ATOM 531 N ILE A 38 -3.342 10.975 -0.052 1.00 13.25 N ATOM 532 CA ILE A 38 -4.590 10.243 0.130 1.00 2.11 C ATOM 533 C ILE A 38 -5.357 10.758 1.343 1.00 22.42 C ATOM 534 O ILE A 38 -6.575 10.931 1.291 1.00 41.43 O ATOM 535 CB ILE A 38 -4.336 8.733 0.300 1.00 14.24 C ATOM 536 CG1 ILE A 38 -5.657 7.995 0.529 1.00 1.05 C ATOM 537 CG2 ILE A 38 -3.377 8.483 1.455 1.00 3.33 C ATOM 538 CD1 ILE A 38 -6.737 8.367 -0.463 1.00 22.34 C ATOM 0 H ILE A 38 -2.501 10.416 0.087 1.00 13.25 H new ATOM 0 HA ILE A 38 -5.186 10.405 -0.769 1.00 2.11 H new ATOM 0 HB ILE A 38 -3.881 8.351 -0.614 1.00 14.24 H new ATOM 0 HG12 ILE A 38 -5.478 6.921 0.473 1.00 1.05 H new ATOM 0 HG13 ILE A 38 -6.012 8.207 1.537 1.00 1.05 H new ATOM 0 HG21 ILE A 38 -3.208 7.412 1.562 1.00 3.33 H new ATOM 0 HG22 ILE A 38 -2.429 8.982 1.255 1.00 3.33 H new ATOM 0 HG23 ILE A 38 -3.807 8.876 2.376 1.00 3.33 H new ATOM 0 HD11 ILE A 38 -7.645 7.806 -0.240 1.00 22.34 H new ATOM 0 HD12 ILE A 38 -6.944 9.435 -0.392 1.00 22.34 H new ATOM 0 HD13 ILE A 38 -6.402 8.129 -1.472 1.00 22.34 H new ATOM 549 N GLN A 39 -4.636 11.003 2.432 1.00 32.51 N ATOM 550 CA GLN A 39 -5.250 11.500 3.658 1.00 41.43 C ATOM 551 C GLN A 39 -6.061 12.763 3.388 1.00 13.14 C ATOM 552 O GLN A 39 -7.055 13.031 4.064 1.00 61.12 O ATOM 553 CB GLN A 39 -4.177 11.785 4.711 1.00 73.41 C ATOM 554 CG GLN A 39 -4.742 12.255 6.042 1.00 71.12 C ATOM 555 CD GLN A 39 -5.078 11.106 6.971 1.00 73.31 C ATOM 556 OE1 GLN A 39 -6.201 11.003 7.469 1.00 43.42 O ATOM 557 NE2 GLN A 39 -4.107 10.232 7.210 1.00 21.31 N ATOM 0 H GLN A 39 -3.627 10.866 2.491 1.00 32.51 H new ATOM 0 HA GLN A 39 -5.924 10.731 4.034 1.00 41.43 H new ATOM 0 HB2 GLN A 39 -3.590 10.881 4.874 1.00 73.41 H new ATOM 0 HB3 GLN A 39 -3.495 12.543 4.327 1.00 73.41 H new ATOM 0 HG2 GLN A 39 -4.020 12.911 6.528 1.00 71.12 H new ATOM 0 HG3 GLN A 39 -5.640 12.847 5.863 1.00 71.12 H new ATOM 0 HE21 GLN A 39 -3.192 10.355 6.777 1.00 21.31 H new ATOM 0 HE22 GLN A 39 -4.276 9.437 7.827 1.00 21.31 H new ATOM 564 N ASP A 40 -5.633 13.534 2.395 1.00 1.42 N ATOM 565 CA ASP A 40 -6.320 14.768 2.034 1.00 3.53 C ATOM 566 C ASP A 40 -7.593 14.472 1.246 1.00 54.44 C ATOM 567 O ASP A 40 -8.538 15.259 1.254 1.00 31.53 O ATOM 568 CB ASP A 40 -5.396 15.671 1.214 1.00 34.13 C ATOM 569 CG ASP A 40 -4.628 16.651 2.078 1.00 2.45 C ATOM 570 OD1 ASP A 40 -5.270 17.528 2.694 1.00 12.11 O ATOM 571 OD2 ASP A 40 -3.385 16.543 2.137 1.00 11.22 O ATOM 0 H ASP A 40 -4.813 13.326 1.825 1.00 1.42 H new ATOM 0 HA ASP A 40 -6.596 15.283 2.954 1.00 3.53 H new ATOM 0 HB2 ASP A 40 -4.692 15.054 0.656 1.00 34.13 H new ATOM 0 HB3 ASP A 40 -5.987 16.222 0.482 1.00 34.13 H new ATOM 575 N LYS A 41 -7.608 13.330 0.567 1.00 11.03 N ATOM 576 CA LYS A 41 -8.764 12.928 -0.227 1.00 72.01 C ATOM 577 C LYS A 41 -9.890 12.424 0.670 1.00 33.21 C ATOM 578 O LYS A 41 -11.015 12.920 0.607 1.00 61.30 O ATOM 579 CB LYS A 41 -8.368 11.839 -1.226 1.00 12.31 C ATOM 580 CG LYS A 41 -7.214 12.235 -2.131 1.00 22.12 C ATOM 581 CD LYS A 41 -7.558 13.452 -2.973 1.00 11.13 C ATOM 582 CE LYS A 41 -6.326 14.023 -3.656 1.00 24.04 C ATOM 583 NZ LYS A 41 -6.665 14.697 -4.941 1.00 13.20 N ATOM 0 H LYS A 41 -6.833 12.667 0.550 1.00 11.03 H new ATOM 0 HA LYS A 41 -9.121 13.801 -0.773 1.00 72.01 H new ATOM 0 HB2 LYS A 41 -8.096 10.937 -0.678 1.00 12.31 H new ATOM 0 HB3 LYS A 41 -9.233 11.590 -1.841 1.00 12.31 H new ATOM 0 HG2 LYS A 41 -6.332 12.447 -1.526 1.00 22.12 H new ATOM 0 HG3 LYS A 41 -6.959 11.400 -2.784 1.00 22.12 H new ATOM 0 HD2 LYS A 41 -8.298 13.178 -3.725 1.00 11.13 H new ATOM 0 HD3 LYS A 41 -8.012 14.216 -2.342 1.00 11.13 H new ATOM 0 HE2 LYS A 41 -5.839 14.735 -2.990 1.00 24.04 H new ATOM 0 HE3 LYS A 41 -5.611 13.222 -3.844 1.00 24.04 H new ATOM 0 HZ1 LYS A 41 -5.798 15.073 -5.375 1.00 13.20 H new ATOM 0 HZ2 LYS A 41 -7.107 14.012 -5.587 1.00 13.20 H new ATOM 0 HZ3 LYS A 41 -7.327 15.478 -4.759 1.00 13.20 H new ATOM 593 N GLU A 42 -9.580 11.436 1.505 1.00 4.32 N ATOM 594 CA GLU A 42 -10.568 10.867 2.414 1.00 61.31 C ATOM 595 C GLU A 42 -10.065 10.903 3.855 1.00 0.14 C ATOM 596 O GLU A 42 -10.838 11.114 4.787 1.00 61.52 O ATOM 597 CB GLU A 42 -10.894 9.427 2.012 1.00 71.14 C ATOM 598 CG GLU A 42 -11.941 9.323 0.916 1.00 45.30 C ATOM 599 CD GLU A 42 -12.209 7.890 0.499 1.00 22.21 C ATOM 600 OE1 GLU A 42 -11.342 7.028 0.753 1.00 15.33 O ATOM 601 OE2 GLU A 42 -13.285 7.631 -0.079 1.00 4.14 O ATOM 0 H GLU A 42 -8.654 11.014 1.570 1.00 4.32 H new ATOM 0 HA GLU A 42 -11.474 11.469 2.348 1.00 61.31 H new ATOM 0 HB2 GLU A 42 -9.980 8.936 1.677 1.00 71.14 H new ATOM 0 HB3 GLU A 42 -11.244 8.884 2.890 1.00 71.14 H new ATOM 0 HG2 GLU A 42 -12.870 9.776 1.262 1.00 45.30 H new ATOM 0 HG3 GLU A 42 -11.611 9.894 0.048 1.00 45.30 H new ATOM 606 N GLY A 43 -8.763 10.694 4.026 1.00 30.31 N ATOM 607 CA GLY A 43 -8.179 10.706 5.355 1.00 3.32 C ATOM 608 C GLY A 43 -7.999 9.312 5.922 1.00 43.31 C ATOM 609 O GLY A 43 -7.971 9.129 7.139 1.00 15.41 O ATOM 0 H GLY A 43 -8.103 10.517 3.269 1.00 30.31 H new ATOM 0 HA2 GLY A 43 -7.212 11.208 5.319 1.00 3.32 H new ATOM 0 HA3 GLY A 43 -8.815 11.287 6.023 1.00 3.32 H new ATOM 613 N ILE A 44 -7.877 8.327 5.038 1.00 14.24 N ATOM 614 CA ILE A 44 -7.701 6.943 5.458 1.00 43.32 C ATOM 615 C ILE A 44 -6.317 6.724 6.060 1.00 41.14 C ATOM 616 O ILE A 44 -5.299 7.152 5.515 1.00 1.25 O ATOM 617 CB ILE A 44 -7.894 5.969 4.280 1.00 54.21 C ATOM 618 CG1 ILE A 44 -9.308 6.101 3.709 1.00 3.42 C ATOM 619 CG2 ILE A 44 -7.630 4.539 4.727 1.00 72.55 C ATOM 620 CD1 ILE A 44 -10.396 5.773 4.706 1.00 3.13 C ATOM 0 H ILE A 44 -7.897 8.462 4.027 1.00 14.24 H new ATOM 0 HA ILE A 44 -8.461 6.743 6.214 1.00 43.32 H new ATOM 0 HB ILE A 44 -7.180 6.222 3.497 1.00 54.21 H new ATOM 0 HG12 ILE A 44 -9.452 7.120 3.349 1.00 3.42 H new ATOM 0 HG13 ILE A 44 -9.406 5.441 2.847 1.00 3.42 H new ATOM 0 HG21 ILE A 44 -7.770 3.862 3.884 1.00 72.55 H new ATOM 0 HG22 ILE A 44 -6.607 4.455 5.093 1.00 72.55 H new ATOM 0 HG23 ILE A 44 -8.324 4.273 5.525 1.00 72.55 H new ATOM 0 HD11 ILE A 44 -11.371 5.888 4.232 1.00 3.13 H new ATOM 0 HD12 ILE A 44 -10.278 4.745 5.048 1.00 3.13 H new ATOM 0 HD13 ILE A 44 -10.325 6.449 5.558 1.00 3.13 H new ATOM 631 N PRO A 45 -6.275 6.041 7.213 1.00 72.12 N ATOM 632 CA PRO A 45 -5.022 5.747 7.915 1.00 52.11 C ATOM 633 C PRO A 45 -4.164 4.732 7.169 1.00 73.13 C ATOM 634 O PRO A 45 -4.586 3.608 6.895 1.00 70.21 O ATOM 635 CB PRO A 45 -5.492 5.170 9.254 1.00 11.51 C ATOM 636 CG PRO A 45 -6.843 4.611 8.971 1.00 32.14 C ATOM 637 CD PRO A 45 -7.449 5.501 7.921 1.00 51.02 C ATOM 0 HA PRO A 45 -4.393 6.632 8.014 1.00 52.11 H new ATOM 0 HB2 PRO A 45 -4.811 4.398 9.613 1.00 11.51 H new ATOM 0 HB3 PRO A 45 -5.535 5.940 10.024 1.00 11.51 H new ATOM 0 HG2 PRO A 45 -6.773 3.582 8.617 1.00 32.14 H new ATOM 0 HG3 PRO A 45 -7.456 4.597 9.872 1.00 32.14 H new ATOM 0 HD2 PRO A 45 -8.102 4.943 7.250 1.00 51.02 H new ATOM 0 HD3 PRO A 45 -8.051 6.294 8.365 1.00 51.02 H new ATOM 642 N PRO A 46 -2.930 5.133 6.832 1.00 2.42 N ATOM 643 CA PRO A 46 -1.986 4.271 6.112 1.00 21.34 C ATOM 644 C PRO A 46 -1.481 3.119 6.974 1.00 34.44 C ATOM 645 O PRO A 46 -1.054 2.087 6.458 1.00 45.22 O ATOM 646 CB PRO A 46 -0.836 5.220 5.761 1.00 33.13 C ATOM 647 CG PRO A 46 -0.903 6.294 6.792 1.00 40.34 C ATOM 648 CD PRO A 46 -2.361 6.459 7.125 1.00 65.01 C ATOM 0 HA PRO A 46 -2.446 3.797 5.245 1.00 21.34 H new ATOM 0 HB2 PRO A 46 0.124 4.705 5.788 1.00 33.13 H new ATOM 0 HB3 PRO A 46 -0.952 5.628 4.757 1.00 33.13 H new ATOM 0 HG2 PRO A 46 -0.329 6.021 7.678 1.00 40.34 H new ATOM 0 HG3 PRO A 46 -0.481 7.225 6.413 1.00 40.34 H new ATOM 0 HD2 PRO A 46 -2.506 6.737 8.169 1.00 65.01 H new ATOM 0 HD3 PRO A 46 -2.826 7.238 6.521 1.00 65.01 H new ATOM 653 N ASP A 47 -1.534 3.304 8.289 1.00 55.45 N ATOM 654 CA ASP A 47 -1.083 2.277 9.222 1.00 71.31 C ATOM 655 C ASP A 47 -1.871 0.985 9.032 1.00 51.54 C ATOM 656 O ASP A 47 -1.319 -0.110 9.141 1.00 13.31 O ATOM 657 CB ASP A 47 -1.228 2.770 10.663 1.00 72.33 C ATOM 658 CG ASP A 47 -2.552 3.467 10.906 1.00 4.33 C ATOM 659 OD1 ASP A 47 -3.582 2.769 11.002 1.00 12.32 O ATOM 660 OD2 ASP A 47 -2.558 4.713 10.999 1.00 31.03 O ATOM 0 H ASP A 47 -1.884 4.153 8.732 1.00 55.45 H new ATOM 0 HA ASP A 47 -0.032 2.073 9.019 1.00 71.31 H new ATOM 0 HB2 ASP A 47 -1.136 1.924 11.344 1.00 72.33 H new ATOM 0 HB3 ASP A 47 -0.412 3.455 10.893 1.00 72.33 H new ATOM 664 N GLN A 48 -3.162 1.121 8.747 1.00 53.24 N ATOM 665 CA GLN A 48 -4.024 -0.037 8.543 1.00 32.31 C ATOM 666 C GLN A 48 -4.386 -0.194 7.070 1.00 5.23 C ATOM 667 O GLN A 48 -4.811 -1.264 6.637 1.00 2.43 O ATOM 668 CB GLN A 48 -5.298 0.095 9.381 1.00 24.41 C ATOM 669 CG GLN A 48 -5.828 -1.232 9.897 1.00 53.42 C ATOM 670 CD GLN A 48 -5.086 -1.720 11.125 1.00 61.22 C ATOM 671 OE1 GLN A 48 -4.484 -0.931 11.855 1.00 44.34 O ATOM 672 NE2 GLN A 48 -5.126 -3.026 11.362 1.00 61.00 N ATOM 0 H GLN A 48 -3.634 2.020 8.652 1.00 53.24 H new ATOM 0 HA GLN A 48 -3.478 -0.925 8.861 1.00 32.31 H new ATOM 0 HB2 GLN A 48 -5.099 0.751 10.228 1.00 24.41 H new ATOM 0 HB3 GLN A 48 -6.070 0.576 8.780 1.00 24.41 H new ATOM 0 HG2 GLN A 48 -6.887 -1.128 10.135 1.00 53.42 H new ATOM 0 HG3 GLN A 48 -5.750 -1.981 9.109 1.00 53.42 H new ATOM 0 HE21 GLN A 48 -5.637 -3.643 10.731 1.00 61.00 H new ATOM 0 HE22 GLN A 48 -4.646 -3.412 12.175 1.00 61.00 H new ATOM 679 N GLN A 49 -4.212 0.880 6.305 1.00 75.44 N ATOM 680 CA GLN A 49 -4.522 0.861 4.881 1.00 70.30 C ATOM 681 C GLN A 49 -3.897 -0.355 4.204 1.00 74.43 C ATOM 682 O GLN A 49 -2.733 -0.681 4.442 1.00 34.34 O ATOM 683 CB GLN A 49 -4.023 2.143 4.212 1.00 43.40 C ATOM 684 CG GLN A 49 -4.393 2.245 2.740 1.00 60.53 C ATOM 685 CD GLN A 49 -4.314 3.665 2.217 1.00 71.02 C ATOM 686 OE1 GLN A 49 -3.228 4.230 2.082 1.00 34.44 O ATOM 687 NE2 GLN A 49 -5.468 4.251 1.917 1.00 73.43 N ATOM 0 H GLN A 49 -3.858 1.773 6.648 1.00 75.44 H new ATOM 0 HA GLN A 49 -5.605 0.799 4.771 1.00 70.30 H new ATOM 0 HB2 GLN A 49 -4.433 3.003 4.742 1.00 43.40 H new ATOM 0 HB3 GLN A 49 -2.939 2.196 4.310 1.00 43.40 H new ATOM 0 HG2 GLN A 49 -3.727 1.609 2.157 1.00 60.53 H new ATOM 0 HG3 GLN A 49 -5.404 1.864 2.596 1.00 60.53 H new ATOM 0 HE21 GLN A 49 -6.345 3.746 2.044 1.00 73.43 H new ATOM 0 HE22 GLN A 49 -5.477 5.206 1.559 1.00 73.43 H new ATOM 694 N ARG A 50 -4.678 -1.024 3.363 1.00 33.32 N ATOM 695 CA ARG A 50 -4.203 -2.206 2.654 1.00 41.21 C ATOM 696 C ARG A 50 -3.863 -1.871 1.205 1.00 64.02 C ATOM 697 O ARG A 50 -4.529 -1.048 0.574 1.00 45.32 O ATOM 698 CB ARG A 50 -5.257 -3.313 2.698 1.00 75.41 C ATOM 699 CG ARG A 50 -6.010 -3.386 4.017 1.00 23.54 C ATOM 700 CD ARG A 50 -6.322 -4.823 4.403 1.00 31.15 C ATOM 701 NE ARG A 50 -5.159 -5.503 4.965 1.00 60.24 N ATOM 702 CZ ARG A 50 -5.186 -6.752 5.418 1.00 1.24 C ATOM 703 NH1 ARG A 50 -6.310 -7.452 5.373 1.00 55.33 N ATOM 704 NH2 ARG A 50 -4.086 -7.303 5.915 1.00 73.32 N ATOM 0 H ARG A 50 -5.643 -0.768 3.156 1.00 33.32 H new ATOM 0 HA ARG A 50 -3.298 -2.556 3.151 1.00 41.21 H new ATOM 0 HB2 ARG A 50 -5.971 -3.155 1.890 1.00 75.41 H new ATOM 0 HB3 ARG A 50 -4.773 -4.272 2.512 1.00 75.41 H new ATOM 0 HG2 ARG A 50 -5.416 -2.918 4.802 1.00 23.54 H new ATOM 0 HG3 ARG A 50 -6.938 -2.820 3.939 1.00 23.54 H new ATOM 0 HD2 ARG A 50 -7.135 -4.835 5.129 1.00 31.15 H new ATOM 0 HD3 ARG A 50 -6.671 -5.367 3.525 1.00 31.15 H new ATOM 0 HE ARG A 50 -4.278 -4.992 5.013 1.00 60.24 H new ATOM 0 HH11 ARG A 50 -7.157 -7.032 4.990 1.00 55.33 H new ATOM 0 HH12 ARG A 50 -6.328 -8.411 5.721 1.00 55.33 H new ATOM 0 HH21 ARG A 50 -3.218 -6.768 5.950 1.00 73.32 H new ATOM 0 HH22 ARG A 50 -4.108 -8.262 6.262 1.00 73.32 H new ATOM 715 N LEU A 51 -2.823 -2.511 0.684 1.00 43.20 N ATOM 716 CA LEU A 51 -2.393 -2.281 -0.692 1.00 22.14 C ATOM 717 C LEU A 51 -2.755 -3.466 -1.581 1.00 10.43 C ATOM 718 O LEU A 51 -2.506 -4.618 -1.227 1.00 73.13 O ATOM 719 CB LEU A 51 -0.884 -2.034 -0.741 1.00 21.44 C ATOM 720 CG LEU A 51 -0.436 -0.583 -0.564 1.00 30.20 C ATOM 721 CD1 LEU A 51 -0.762 -0.091 0.838 1.00 62.23 C ATOM 722 CD2 LEU A 51 1.053 -0.446 -0.846 1.00 41.05 C ATOM 0 H LEU A 51 -2.261 -3.194 1.193 1.00 43.20 H new ATOM 0 HA LEU A 51 -2.912 -1.398 -1.066 1.00 22.14 H new ATOM 0 HB2 LEU A 51 -0.412 -2.636 0.035 1.00 21.44 H new ATOM 0 HB3 LEU A 51 -0.508 -2.395 -1.698 1.00 21.44 H new ATOM 0 HG LEU A 51 -0.979 0.034 -1.279 1.00 30.20 H new ATOM 0 HD11 LEU A 51 -0.436 0.944 0.946 1.00 62.23 H new ATOM 0 HD12 LEU A 51 -1.838 -0.152 1.004 1.00 62.23 H new ATOM 0 HD13 LEU A 51 -0.246 -0.712 1.571 1.00 62.23 H new ATOM 0 HD21 LEU A 51 1.354 0.593 -0.715 1.00 41.05 H new ATOM 0 HD22 LEU A 51 1.614 -1.076 -0.155 1.00 41.05 H new ATOM 0 HD23 LEU A 51 1.260 -0.757 -1.870 1.00 41.05 H new ATOM 733 N ILE A 52 -3.341 -3.174 -2.738 1.00 34.41 N ATOM 734 CA ILE A 52 -3.735 -4.215 -3.679 1.00 62.15 C ATOM 735 C ILE A 52 -3.183 -3.934 -5.072 1.00 24.12 C ATOM 736 O ILE A 52 -3.511 -2.919 -5.687 1.00 4.32 O ATOM 737 CB ILE A 52 -5.266 -4.349 -3.762 1.00 13.04 C ATOM 738 CG1 ILE A 52 -5.799 -5.129 -2.558 1.00 21.13 C ATOM 739 CG2 ILE A 52 -5.667 -5.032 -5.061 1.00 14.42 C ATOM 740 CD1 ILE A 52 -5.654 -4.387 -1.248 1.00 35.23 C ATOM 0 H ILE A 52 -3.553 -2.225 -3.046 1.00 34.41 H new ATOM 0 HA ILE A 52 -3.317 -5.151 -3.308 1.00 62.15 H new ATOM 0 HB ILE A 52 -5.704 -3.351 -3.747 1.00 13.04 H new ATOM 0 HG12 ILE A 52 -6.852 -5.360 -2.721 1.00 21.13 H new ATOM 0 HG13 ILE A 52 -5.271 -6.080 -2.488 1.00 21.13 H new ATOM 0 HG21 ILE A 52 -6.753 -5.120 -5.106 1.00 14.42 H new ATOM 0 HG22 ILE A 52 -5.316 -4.441 -5.907 1.00 14.42 H new ATOM 0 HG23 ILE A 52 -5.221 -6.025 -5.103 1.00 14.42 H new ATOM 0 HD11 ILE A 52 -6.052 -4.998 -0.438 1.00 35.23 H new ATOM 0 HD12 ILE A 52 -4.600 -4.179 -1.062 1.00 35.23 H new ATOM 0 HD13 ILE A 52 -6.205 -3.448 -1.299 1.00 35.23 H new ATOM 751 N PHE A 53 -2.343 -4.839 -5.564 1.00 15.21 N ATOM 752 CA PHE A 53 -1.746 -4.689 -6.886 1.00 12.24 C ATOM 753 C PHE A 53 -2.069 -5.892 -7.768 1.00 23.41 C ATOM 754 O PHE A 53 -1.588 -6.998 -7.527 1.00 14.53 O ATOM 755 CB PHE A 53 -0.230 -4.521 -6.767 1.00 40.43 C ATOM 756 CG PHE A 53 0.495 -4.686 -8.072 1.00 14.43 C ATOM 757 CD1 PHE A 53 -0.007 -4.123 -9.236 1.00 70.42 C ATOM 758 CD2 PHE A 53 1.678 -5.403 -8.137 1.00 50.42 C ATOM 759 CE1 PHE A 53 0.658 -4.274 -10.437 1.00 54.43 C ATOM 760 CE2 PHE A 53 2.348 -5.557 -9.337 1.00 74.45 C ATOM 761 CZ PHE A 53 1.838 -4.991 -10.488 1.00 0.13 C ATOM 0 H PHE A 53 -2.060 -5.684 -5.067 1.00 15.21 H new ATOM 0 HA PHE A 53 -2.168 -3.797 -7.350 1.00 12.24 H new ATOM 0 HB2 PHE A 53 -0.013 -3.533 -6.362 1.00 40.43 H new ATOM 0 HB3 PHE A 53 0.153 -5.250 -6.053 1.00 40.43 H new ATOM 0 HD1 PHE A 53 -0.928 -3.560 -9.203 1.00 70.42 H new ATOM 0 HD2 PHE A 53 2.082 -5.847 -7.240 1.00 50.42 H new ATOM 0 HE1 PHE A 53 0.256 -3.832 -11.336 1.00 54.43 H new ATOM 0 HE2 PHE A 53 3.269 -6.119 -9.373 1.00 74.45 H new ATOM 0 HZ PHE A 53 2.360 -5.108 -11.426 1.00 0.13 H new ATOM 770 N ALA A 54 -2.887 -5.665 -8.791 1.00 13.02 N ATOM 771 CA ALA A 54 -3.274 -6.728 -9.711 1.00 63.52 C ATOM 772 C ALA A 54 -3.830 -7.930 -8.956 1.00 13.21 C ATOM 773 O ALA A 54 -3.678 -9.072 -9.389 1.00 73.44 O ATOM 774 CB ALA A 54 -2.086 -7.142 -10.566 1.00 53.43 C ATOM 0 H ALA A 54 -3.294 -4.754 -9.003 1.00 13.02 H new ATOM 0 HA ALA A 54 -4.060 -6.345 -10.362 1.00 63.52 H new ATOM 0 HB1 ALA A 54 -2.388 -7.936 -11.249 1.00 53.43 H new ATOM 0 HB2 ALA A 54 -1.734 -6.285 -11.140 1.00 53.43 H new ATOM 0 HB3 ALA A 54 -1.283 -7.502 -9.923 1.00 53.43 H new ATOM 780 N GLY A 55 -4.476 -7.666 -7.824 1.00 13.35 N ATOM 781 CA GLY A 55 -5.046 -8.737 -7.027 1.00 31.34 C ATOM 782 C GLY A 55 -4.125 -9.180 -5.909 1.00 42.33 C ATOM 783 O GLY A 55 -4.576 -9.728 -4.903 1.00 63.45 O ATOM 0 H GLY A 55 -4.615 -6.729 -7.445 1.00 13.35 H new ATOM 0 HA2 GLY A 55 -5.994 -8.405 -6.603 1.00 31.34 H new ATOM 0 HA3 GLY A 55 -5.266 -9.588 -7.672 1.00 31.34 H new ATOM 787 N LYS A 56 -2.829 -8.945 -6.083 1.00 4.40 N ATOM 788 CA LYS A 56 -1.839 -9.324 -5.082 1.00 34.13 C ATOM 789 C LYS A 56 -1.459 -8.129 -4.214 1.00 32.11 C ATOM 790 O LYS A 56 -1.042 -7.089 -4.724 1.00 35.30 O ATOM 791 CB LYS A 56 -0.591 -9.895 -5.758 1.00 23.31 C ATOM 792 CG LYS A 56 0.297 -10.695 -4.820 1.00 41.21 C ATOM 793 CD LYS A 56 1.573 -11.146 -5.510 1.00 21.11 C ATOM 794 CE LYS A 56 1.297 -12.229 -6.542 1.00 30.31 C ATOM 795 NZ LYS A 56 2.549 -12.893 -6.997 1.00 52.13 N ATOM 0 H LYS A 56 -2.439 -8.493 -6.910 1.00 4.40 H new ATOM 0 HA LYS A 56 -2.280 -10.089 -4.443 1.00 34.13 H new ATOM 0 HB2 LYS A 56 -0.897 -10.533 -6.587 1.00 23.31 H new ATOM 0 HB3 LYS A 56 -0.011 -9.076 -6.183 1.00 23.31 H new ATOM 0 HG2 LYS A 56 0.548 -10.089 -3.949 1.00 41.21 H new ATOM 0 HG3 LYS A 56 -0.248 -11.566 -4.456 1.00 41.21 H new ATOM 0 HD2 LYS A 56 2.047 -10.292 -5.995 1.00 21.11 H new ATOM 0 HD3 LYS A 56 2.276 -11.521 -4.767 1.00 21.11 H new ATOM 0 HE2 LYS A 56 0.625 -12.974 -6.116 1.00 30.31 H new ATOM 0 HE3 LYS A 56 0.786 -11.792 -7.399 1.00 30.31 H new ATOM 0 HZ1 LYS A 56 2.319 -13.624 -7.699 1.00 52.13 H new ATOM 0 HZ2 LYS A 56 3.180 -12.187 -7.427 1.00 52.13 H new ATOM 0 HZ3 LYS A 56 3.024 -13.332 -6.183 1.00 52.13 H new ATOM 805 N GLN A 57 -1.603 -8.286 -2.902 1.00 14.04 N ATOM 806 CA GLN A 57 -1.275 -7.219 -1.965 1.00 41.13 C ATOM 807 C GLN A 57 0.224 -7.185 -1.684 1.00 61.21 C ATOM 808 O GLN A 57 0.907 -8.206 -1.770 1.00 35.14 O ATOM 809 CB GLN A 57 -2.046 -7.404 -0.657 1.00 31.10 C ATOM 810 CG GLN A 57 -1.677 -8.673 0.093 1.00 73.02 C ATOM 811 CD GLN A 57 -2.552 -9.851 -0.286 1.00 73.11 C ATOM 812 OE1 GLN A 57 -3.446 -9.731 -1.124 1.00 5.43 O ATOM 813 NE2 GLN A 57 -2.300 -11.000 0.331 1.00 30.11 N ATOM 0 H GLN A 57 -1.945 -9.142 -2.464 1.00 14.04 H new ATOM 0 HA GLN A 57 -1.564 -6.271 -2.418 1.00 41.13 H new ATOM 0 HB2 GLN A 57 -1.862 -6.545 -0.012 1.00 31.10 H new ATOM 0 HB3 GLN A 57 -3.114 -7.418 -0.874 1.00 31.10 H new ATOM 0 HG2 GLN A 57 -0.635 -8.920 -0.109 1.00 73.02 H new ATOM 0 HG3 GLN A 57 -1.760 -8.494 1.165 1.00 73.02 H new ATOM 0 HE21 GLN A 57 -1.549 -11.055 1.019 1.00 30.11 H new ATOM 0 HE22 GLN A 57 -2.857 -11.827 0.117 1.00 30.11 H new ATOM 820 N LEU A 58 0.731 -6.003 -1.348 1.00 11.10 N ATOM 821 CA LEU A 58 2.150 -5.836 -1.054 1.00 21.24 C ATOM 822 C LEU A 58 2.356 -5.349 0.377 1.00 61.11 C ATOM 823 O LEU A 58 1.426 -5.347 1.181 1.00 22.43 O ATOM 824 CB LEU A 58 2.781 -4.848 -2.037 1.00 31.24 C ATOM 825 CG LEU A 58 2.432 -5.051 -3.511 1.00 12.43 C ATOM 826 CD1 LEU A 58 2.420 -6.533 -3.857 1.00 24.04 C ATOM 827 CD2 LEU A 58 1.087 -4.417 -3.834 1.00 21.00 C ATOM 0 H LEU A 58 0.181 -5.147 -1.273 1.00 11.10 H new ATOM 0 HA LEU A 58 2.635 -6.806 -1.161 1.00 21.24 H new ATOM 0 HB2 LEU A 58 2.483 -3.840 -1.749 1.00 31.24 H new ATOM 0 HB3 LEU A 58 3.864 -4.902 -1.930 1.00 31.24 H new ATOM 0 HG LEU A 58 3.196 -4.562 -4.115 1.00 12.43 H new ATOM 0 HD11 LEU A 58 2.170 -6.659 -4.910 1.00 24.04 H new ATOM 0 HD12 LEU A 58 3.404 -6.960 -3.665 1.00 24.04 H new ATOM 0 HD13 LEU A 58 1.677 -7.044 -3.244 1.00 24.04 H new ATOM 0 HD21 LEU A 58 0.856 -4.572 -4.888 1.00 21.00 H new ATOM 0 HD22 LEU A 58 0.312 -4.876 -3.221 1.00 21.00 H new ATOM 0 HD23 LEU A 58 1.129 -3.348 -3.625 1.00 21.00 H new ATOM 838 N GLU A 59 3.582 -4.937 0.685 1.00 41.11 N ATOM 839 CA GLU A 59 3.909 -4.447 2.019 1.00 74.52 C ATOM 840 C GLU A 59 3.982 -2.922 2.036 1.00 41.43 C ATOM 841 O GLU A 59 3.566 -2.260 1.085 1.00 61.04 O ATOM 842 CB GLU A 59 5.239 -5.037 2.492 1.00 43.31 C ATOM 843 CG GLU A 59 5.323 -6.547 2.340 1.00 33.44 C ATOM 844 CD GLU A 59 4.338 -7.278 3.233 1.00 11.41 C ATOM 845 OE1 GLU A 59 4.596 -7.372 4.450 1.00 65.25 O ATOM 846 OE2 GLU A 59 3.309 -7.758 2.711 1.00 24.32 O ATOM 0 H GLU A 59 4.364 -4.933 0.030 1.00 41.11 H new ATOM 0 HA GLU A 59 3.117 -4.764 2.698 1.00 74.52 H new ATOM 0 HB2 GLU A 59 6.051 -4.578 1.929 1.00 43.31 H new ATOM 0 HB3 GLU A 59 5.390 -4.777 3.540 1.00 43.31 H new ATOM 0 HG2 GLU A 59 5.134 -6.815 1.301 1.00 33.44 H new ATOM 0 HG3 GLU A 59 6.335 -6.877 2.575 1.00 33.44 H new ATOM 851 N ASP A 60 4.513 -2.373 3.123 1.00 54.35 N ATOM 852 CA ASP A 60 4.642 -0.928 3.265 1.00 45.14 C ATOM 853 C ASP A 60 5.923 -0.567 4.012 1.00 11.43 C ATOM 854 O ASP A 60 6.307 -1.240 4.968 1.00 35.15 O ATOM 855 CB ASP A 60 3.430 -0.357 4.001 1.00 0.23 C ATOM 856 CG ASP A 60 2.681 0.670 3.173 1.00 70.12 C ATOM 857 OD1 ASP A 60 2.637 0.516 1.934 1.00 74.53 O ATOM 858 OD2 ASP A 60 2.140 1.627 3.766 1.00 3.54 O ATOM 0 H ASP A 60 4.861 -2.907 3.919 1.00 54.35 H new ATOM 0 HA ASP A 60 4.690 -0.492 2.267 1.00 45.14 H new ATOM 0 HB2 ASP A 60 2.753 -1.169 4.266 1.00 0.23 H new ATOM 0 HB3 ASP A 60 3.758 0.102 4.934 1.00 0.23 H new ATOM 862 N GLY A 61 6.581 0.499 3.567 1.00 72.52 N ATOM 863 CA GLY A 61 7.811 0.930 4.204 1.00 44.02 C ATOM 864 C GLY A 61 8.969 1.014 3.230 1.00 23.53 C ATOM 865 O GLY A 61 10.090 1.348 3.614 1.00 61.44 O ATOM 0 H GLY A 61 6.284 1.072 2.777 1.00 72.52 H new ATOM 0 HA2 GLY A 61 7.656 1.906 4.664 1.00 44.02 H new ATOM 0 HA3 GLY A 61 8.064 0.236 5.006 1.00 44.02 H new ATOM 869 N ARG A 62 8.699 0.711 1.964 1.00 51.13 N ATOM 870 CA ARG A 62 9.729 0.751 0.933 1.00 41.20 C ATOM 871 C ARG A 62 9.259 1.561 -0.273 1.00 62.54 C ATOM 872 O ARG A 62 8.069 1.844 -0.419 1.00 64.42 O ATOM 873 CB ARG A 62 10.098 -0.667 0.494 1.00 75.14 C ATOM 874 CG ARG A 62 11.407 -0.747 -0.274 1.00 71.11 C ATOM 875 CD ARG A 62 12.200 -1.988 0.104 1.00 41.11 C ATOM 876 NE ARG A 62 11.810 -3.150 -0.690 1.00 33.12 N ATOM 877 CZ ARG A 62 12.260 -4.379 -0.465 1.00 3.05 C ATOM 878 NH1 ARG A 62 13.112 -4.605 0.525 1.00 30.31 N ATOM 879 NH2 ARG A 62 11.858 -5.385 -1.231 1.00 31.33 N ATOM 0 H ARG A 62 7.776 0.435 1.628 1.00 51.13 H new ATOM 0 HA ARG A 62 10.610 1.234 1.354 1.00 41.20 H new ATOM 0 HB2 ARG A 62 10.164 -1.305 1.375 1.00 75.14 H new ATOM 0 HB3 ARG A 62 9.297 -1.065 -0.128 1.00 75.14 H new ATOM 0 HG2 ARG A 62 11.202 -0.757 -1.344 1.00 71.11 H new ATOM 0 HG3 ARG A 62 12.003 0.143 -0.072 1.00 71.11 H new ATOM 0 HD2 ARG A 62 13.264 -1.795 -0.035 1.00 41.11 H new ATOM 0 HD3 ARG A 62 12.051 -2.205 1.162 1.00 41.11 H new ATOM 0 HE ARG A 62 11.156 -3.010 -1.460 1.00 33.12 H new ATOM 0 HH11 ARG A 62 13.423 -3.834 1.116 1.00 30.31 H new ATOM 0 HH12 ARG A 62 13.456 -5.550 0.696 1.00 30.31 H new ATOM 0 HH21 ARG A 62 11.203 -5.215 -1.994 1.00 31.33 H new ATOM 0 HH22 ARG A 62 12.204 -6.328 -1.057 1.00 31.33 H new ATOM 890 N THR A 63 10.203 1.933 -1.132 1.00 33.24 N ATOM 891 CA THR A 63 9.886 2.712 -2.323 1.00 23.21 C ATOM 892 C THR A 63 9.525 1.805 -3.494 1.00 74.43 C ATOM 893 O THR A 63 9.709 0.588 -3.429 1.00 5.35 O ATOM 894 CB THR A 63 11.065 3.615 -2.733 1.00 20.13 C ATOM 895 OG1 THR A 63 12.102 2.827 -3.327 1.00 50.41 O ATOM 896 CG2 THR A 63 11.618 4.364 -1.529 1.00 14.43 C ATOM 0 H THR A 63 11.192 1.708 -1.025 1.00 33.24 H new ATOM 0 HA THR A 63 9.028 3.336 -2.073 1.00 23.21 H new ATOM 0 HB THR A 63 10.701 4.343 -3.458 1.00 20.13 H new ATOM 0 HG1 THR A 63 12.847 3.409 -3.586 1.00 50.41 H new ATOM 0 HG21 THR A 63 12.449 4.995 -1.843 1.00 14.43 H new ATOM 0 HG22 THR A 63 10.834 4.986 -1.096 1.00 14.43 H new ATOM 0 HG23 THR A 63 11.967 3.649 -0.784 1.00 14.43 H new ATOM 904 N LEU A 64 9.011 2.403 -4.563 1.00 73.41 N ATOM 905 CA LEU A 64 8.624 1.649 -5.749 1.00 51.22 C ATOM 906 C LEU A 64 9.853 1.147 -6.500 1.00 11.53 C ATOM 907 O LEU A 64 9.838 0.060 -7.079 1.00 45.04 O ATOM 908 CB LEU A 64 7.767 2.517 -6.673 1.00 44.40 C ATOM 909 CG LEU A 64 6.754 3.433 -5.985 1.00 45.13 C ATOM 910 CD1 LEU A 64 5.877 4.126 -7.015 1.00 72.40 C ATOM 911 CD2 LEU A 64 5.905 2.644 -5.001 1.00 75.43 C ATOM 0 H LEU A 64 8.853 3.408 -4.632 1.00 73.41 H new ATOM 0 HA LEU A 64 8.040 0.787 -5.426 1.00 51.22 H new ATOM 0 HB2 LEU A 64 8.431 3.133 -7.279 1.00 44.40 H new ATOM 0 HB3 LEU A 64 7.228 1.862 -7.357 1.00 44.40 H new ATOM 0 HG LEU A 64 7.300 4.197 -5.431 1.00 45.13 H new ATOM 0 HD11 LEU A 64 5.162 4.774 -6.507 1.00 72.40 H new ATOM 0 HD12 LEU A 64 6.500 4.724 -7.680 1.00 72.40 H new ATOM 0 HD13 LEU A 64 5.339 3.378 -7.597 1.00 72.40 H new ATOM 0 HD21 LEU A 64 5.190 3.312 -4.521 1.00 75.43 H new ATOM 0 HD22 LEU A 64 5.368 1.858 -5.532 1.00 75.43 H new ATOM 0 HD23 LEU A 64 6.548 2.196 -4.244 1.00 75.43 H new ATOM 922 N SER A 65 10.916 1.944 -6.485 1.00 73.42 N ATOM 923 CA SER A 65 12.154 1.581 -7.165 1.00 62.31 C ATOM 924 C SER A 65 12.860 0.441 -6.438 1.00 53.02 C ATOM 925 O SER A 65 13.534 -0.381 -7.057 1.00 2.11 O ATOM 926 CB SER A 65 13.083 2.793 -7.259 1.00 2.12 C ATOM 927 OG SER A 65 14.309 2.449 -7.881 1.00 32.51 O ATOM 0 H SER A 65 10.945 2.846 -6.009 1.00 73.42 H new ATOM 0 HA SER A 65 11.902 1.246 -8.171 1.00 62.31 H new ATOM 0 HB2 SER A 65 12.595 3.586 -7.825 1.00 2.12 H new ATOM 0 HB3 SER A 65 13.276 3.186 -6.261 1.00 2.12 H new ATOM 0 HG SER A 65 14.884 3.241 -7.930 1.00 32.51 H new ATOM 932 N GLU A 66 12.699 0.399 -5.118 1.00 52.30 N ATOM 933 CA GLU A 66 13.322 -0.639 -4.306 1.00 14.21 C ATOM 934 C GLU A 66 12.592 -1.970 -4.472 1.00 60.04 C ATOM 935 O GLU A 66 13.217 -3.029 -4.545 1.00 23.32 O ATOM 936 CB GLU A 66 13.329 -0.230 -2.832 1.00 2.14 C ATOM 937 CG GLU A 66 14.518 0.636 -2.447 1.00 55.35 C ATOM 938 CD GLU A 66 15.846 -0.046 -2.713 1.00 1.43 C ATOM 939 OE1 GLU A 66 16.195 -0.980 -1.961 1.00 4.12 O ATOM 940 OE2 GLU A 66 16.535 0.354 -3.674 1.00 4.44 O ATOM 0 H GLU A 66 12.143 1.071 -4.590 1.00 52.30 H new ATOM 0 HA GLU A 66 14.350 -0.762 -4.646 1.00 14.21 H new ATOM 0 HB2 GLU A 66 12.409 0.310 -2.609 1.00 2.14 H new ATOM 0 HB3 GLU A 66 13.329 -1.128 -2.214 1.00 2.14 H new ATOM 0 HG2 GLU A 66 14.476 1.572 -3.004 1.00 55.35 H new ATOM 0 HG3 GLU A 66 14.450 0.891 -1.389 1.00 55.35 H new ATOM 945 N TYR A 67 11.267 -1.907 -4.530 1.00 52.23 N ATOM 946 CA TYR A 67 10.451 -3.107 -4.684 1.00 62.51 C ATOM 947 C TYR A 67 10.258 -3.448 -6.158 1.00 73.10 C ATOM 948 O TYR A 67 9.710 -4.497 -6.496 1.00 0.32 O ATOM 949 CB TYR A 67 9.091 -2.913 -4.010 1.00 3.24 C ATOM 950 CG TYR A 67 8.777 -3.962 -2.968 1.00 52.23 C ATOM 951 CD1 TYR A 67 8.687 -5.306 -3.310 1.00 42.10 C ATOM 952 CD2 TYR A 67 8.569 -3.610 -1.640 1.00 60.23 C ATOM 953 CE1 TYR A 67 8.400 -6.268 -2.361 1.00 22.24 C ATOM 954 CE2 TYR A 67 8.283 -4.565 -0.684 1.00 24.42 C ATOM 955 CZ TYR A 67 8.199 -5.892 -1.049 1.00 33.30 C ATOM 956 OH TYR A 67 7.912 -6.846 -0.100 1.00 42.51 O ATOM 0 H TYR A 67 10.734 -1.039 -4.473 1.00 52.23 H new ATOM 0 HA TYR A 67 10.972 -3.935 -4.204 1.00 62.51 H new ATOM 0 HB2 TYR A 67 9.064 -1.929 -3.542 1.00 3.24 H new ATOM 0 HB3 TYR A 67 8.312 -2.925 -4.772 1.00 3.24 H new ATOM 0 HD1 TYR A 67 8.844 -5.604 -4.336 1.00 42.10 H new ATOM 0 HD2 TYR A 67 8.632 -2.572 -1.350 1.00 60.23 H new ATOM 0 HE1 TYR A 67 8.333 -7.308 -2.644 1.00 22.24 H new ATOM 0 HE2 TYR A 67 8.126 -4.274 0.344 1.00 24.42 H new ATOM 0 HH TYR A 67 7.800 -6.415 0.773 1.00 42.51 H new ATOM 965 N ASN A 68 10.713 -2.555 -7.030 1.00 33.24 N ATOM 966 CA ASN A 68 10.590 -2.761 -8.468 1.00 43.42 C ATOM 967 C ASN A 68 9.153 -3.105 -8.848 1.00 5.52 C ATOM 968 O ASN A 68 8.910 -4.038 -9.613 1.00 51.30 O ATOM 969 CB ASN A 68 11.532 -3.876 -8.927 1.00 53.42 C ATOM 970 CG ASN A 68 12.985 -3.441 -8.929 1.00 61.12 C ATOM 971 OD1 ASN A 68 13.307 -2.317 -9.313 1.00 72.12 O ATOM 972 ND2 ASN A 68 13.869 -4.334 -8.500 1.00 64.43 N ATOM 0 H ASN A 68 11.170 -1.682 -6.766 1.00 33.24 H new ATOM 0 HA ASN A 68 10.866 -1.832 -8.968 1.00 43.42 H new ATOM 0 HB2 ASN A 68 11.415 -4.739 -8.272 1.00 53.42 H new ATOM 0 HB3 ASN A 68 11.250 -4.196 -9.930 1.00 53.42 H new ATOM 0 HD21 ASN A 68 14.862 -4.100 -8.479 1.00 64.43 H new ATOM 0 HD22 ASN A 68 13.556 -5.254 -8.191 1.00 64.43 H new ATOM 978 N ILE A 69 8.206 -2.344 -8.310 1.00 2.42 N ATOM 979 CA ILE A 69 6.794 -2.568 -8.594 1.00 22.34 C ATOM 980 C ILE A 69 6.223 -1.447 -9.458 1.00 72.33 C ATOM 981 O ILE A 69 6.721 -0.322 -9.440 1.00 74.14 O ATOM 982 CB ILE A 69 5.969 -2.673 -7.298 1.00 24.10 C ATOM 983 CG1 ILE A 69 6.328 -1.531 -6.344 1.00 4.41 C ATOM 984 CG2 ILE A 69 6.200 -4.020 -6.631 1.00 53.13 C ATOM 985 CD1 ILE A 69 5.405 -1.427 -5.152 1.00 34.15 C ATOM 0 H ILE A 69 8.391 -1.567 -7.675 1.00 2.42 H new ATOM 0 HA ILE A 69 6.726 -3.512 -9.135 1.00 22.34 H new ATOM 0 HB ILE A 69 4.912 -2.591 -7.550 1.00 24.10 H new ATOM 0 HG12 ILE A 69 7.350 -1.671 -5.991 1.00 4.41 H new ATOM 0 HG13 ILE A 69 6.307 -0.590 -6.893 1.00 4.41 H new ATOM 0 HG21 ILE A 69 5.610 -4.079 -5.716 1.00 53.13 H new ATOM 0 HG22 ILE A 69 5.899 -4.818 -7.309 1.00 53.13 H new ATOM 0 HG23 ILE A 69 7.257 -4.130 -6.389 1.00 53.13 H new ATOM 0 HD11 ILE A 69 5.719 -0.597 -4.520 1.00 34.15 H new ATOM 0 HD12 ILE A 69 4.385 -1.256 -5.496 1.00 34.15 H new ATOM 0 HD13 ILE A 69 5.444 -2.354 -4.580 1.00 34.15 H new ATOM 996 N GLN A 70 5.176 -1.764 -10.211 1.00 34.34 N ATOM 997 CA GLN A 70 4.536 -0.784 -11.080 1.00 10.35 C ATOM 998 C GLN A 70 3.344 -0.135 -10.385 1.00 24.41 C ATOM 999 O GLN A 70 2.197 -0.312 -10.797 1.00 42.50 O ATOM 1000 CB GLN A 70 4.082 -1.445 -12.383 1.00 41.01 C ATOM 1001 CG GLN A 70 3.186 -2.654 -12.172 1.00 43.33 C ATOM 1002 CD GLN A 70 2.165 -2.825 -13.280 1.00 40.41 C ATOM 1003 OE1 GLN A 70 1.161 -2.115 -13.329 1.00 12.02 O ATOM 1004 NE2 GLN A 70 2.419 -3.770 -14.178 1.00 34.21 N ATOM 0 H GLN A 70 4.753 -2.692 -10.237 1.00 34.34 H new ATOM 0 HA GLN A 70 5.267 -0.008 -11.309 1.00 10.35 H new ATOM 0 HB2 GLN A 70 3.550 -0.710 -12.987 1.00 41.01 H new ATOM 0 HB3 GLN A 70 4.961 -1.749 -12.952 1.00 41.01 H new ATOM 0 HG2 GLN A 70 3.802 -3.551 -12.109 1.00 43.33 H new ATOM 0 HG3 GLN A 70 2.668 -2.555 -11.218 1.00 43.33 H new ATOM 0 HE21 GLN A 70 3.264 -4.335 -14.098 1.00 34.21 H new ATOM 0 HE22 GLN A 70 1.769 -3.930 -14.947 1.00 34.21 H new ATOM 1011 N LYS A 71 3.622 0.619 -9.326 1.00 31.53 N ATOM 1012 CA LYS A 71 2.573 1.297 -8.573 1.00 72.11 C ATOM 1013 C LYS A 71 2.211 2.629 -9.221 1.00 41.23 C ATOM 1014 O LYS A 71 1.407 3.391 -8.686 1.00 65.12 O ATOM 1015 CB LYS A 71 3.022 1.527 -7.127 1.00 51.44 C ATOM 1016 CG LYS A 71 1.884 1.877 -6.185 1.00 45.45 C ATOM 1017 CD LYS A 71 2.305 2.927 -5.170 1.00 22.32 C ATOM 1018 CE LYS A 71 2.238 4.329 -5.758 1.00 44.45 C ATOM 1019 NZ LYS A 71 2.565 5.370 -4.746 1.00 44.13 N ATOM 0 H LYS A 71 4.565 0.776 -8.970 1.00 31.53 H new ATOM 0 HA LYS A 71 1.689 0.660 -8.576 1.00 72.11 H new ATOM 0 HB2 LYS A 71 3.520 0.629 -6.763 1.00 51.44 H new ATOM 0 HB3 LYS A 71 3.759 2.330 -7.108 1.00 51.44 H new ATOM 0 HG2 LYS A 71 1.034 2.245 -6.760 1.00 45.45 H new ATOM 0 HG3 LYS A 71 1.552 0.979 -5.665 1.00 45.45 H new ATOM 0 HD2 LYS A 71 1.659 2.867 -4.294 1.00 22.32 H new ATOM 0 HD3 LYS A 71 3.321 2.721 -4.832 1.00 22.32 H new ATOM 0 HE2 LYS A 71 2.932 4.405 -6.595 1.00 44.45 H new ATOM 0 HE3 LYS A 71 1.239 4.509 -6.155 1.00 44.45 H new ATOM 0 HZ1 LYS A 71 1.920 6.178 -4.858 1.00 44.13 H new ATOM 0 HZ2 LYS A 71 2.459 4.972 -3.791 1.00 44.13 H new ATOM 0 HZ3 LYS A 71 3.546 5.689 -4.881 1.00 44.13 H new ATOM 1029 N GLU A 72 2.809 2.902 -10.376 1.00 53.41 N ATOM 1030 CA GLU A 72 2.547 4.142 -11.097 1.00 52.33 C ATOM 1031 C GLU A 72 1.527 3.920 -12.210 1.00 44.12 C ATOM 1032 O GLU A 72 1.458 4.692 -13.166 1.00 3.04 O ATOM 1033 CB GLU A 72 3.846 4.700 -11.685 1.00 55.24 C ATOM 1034 CG GLU A 72 3.743 6.152 -12.118 1.00 21.15 C ATOM 1035 CD GLU A 72 4.468 6.425 -13.422 1.00 12.33 C ATOM 1036 OE1 GLU A 72 5.510 5.780 -13.666 1.00 31.42 O ATOM 1037 OE2 GLU A 72 3.995 7.281 -14.197 1.00 31.34 O ATOM 0 H GLU A 72 3.478 2.282 -10.832 1.00 53.41 H new ATOM 0 HA GLU A 72 2.136 4.863 -10.390 1.00 52.33 H new ATOM 0 HB2 GLU A 72 4.640 4.606 -10.944 1.00 55.24 H new ATOM 0 HB3 GLU A 72 4.137 4.094 -12.543 1.00 55.24 H new ATOM 0 HG2 GLU A 72 2.692 6.421 -12.228 1.00 21.15 H new ATOM 0 HG3 GLU A 72 4.156 6.790 -11.337 1.00 21.15 H new ATOM 1042 N SER A 73 0.738 2.859 -12.078 1.00 12.53 N ATOM 1043 CA SER A 73 -0.276 2.532 -13.074 1.00 54.44 C ATOM 1044 C SER A 73 -1.667 2.512 -12.447 1.00 51.00 C ATOM 1045 O SER A 73 -2.383 3.514 -12.463 1.00 63.44 O ATOM 1046 CB SER A 73 0.026 1.175 -13.714 1.00 70.12 C ATOM 1047 OG SER A 73 1.139 1.260 -14.588 1.00 55.04 O ATOM 0 H SER A 73 0.781 2.211 -11.291 1.00 12.53 H new ATOM 0 HA SER A 73 -0.254 3.303 -13.845 1.00 54.44 H new ATOM 0 HB2 SER A 73 0.226 0.439 -12.936 1.00 70.12 H new ATOM 0 HB3 SER A 73 -0.848 0.827 -14.265 1.00 70.12 H new ATOM 0 HG SER A 73 1.313 0.380 -14.983 1.00 55.04 H new ATOM 1052 N THR A 74 -2.045 1.363 -11.895 1.00 4.21 N ATOM 1053 CA THR A 74 -3.349 1.211 -11.264 1.00 51.10 C ATOM 1054 C THR A 74 -3.237 0.457 -9.944 1.00 62.25 C ATOM 1055 O THR A 74 -3.020 -0.755 -9.925 1.00 30.04 O ATOM 1056 CB THR A 74 -4.335 0.466 -12.184 1.00 21.14 C ATOM 1057 OG1 THR A 74 -3.861 0.495 -13.535 1.00 22.13 O ATOM 1058 CG2 THR A 74 -5.719 1.094 -12.114 1.00 52.00 C ATOM 0 H THR A 74 -1.465 0.524 -11.873 1.00 4.21 H new ATOM 0 HA THR A 74 -3.727 2.216 -11.075 1.00 51.10 H new ATOM 0 HB THR A 74 -4.404 -0.568 -11.845 1.00 21.14 H new ATOM 0 HG1 THR A 74 -4.492 0.018 -14.113 1.00 22.13 H new ATOM 0 HG21 THR A 74 -6.398 0.552 -12.772 1.00 52.00 H new ATOM 0 HG22 THR A 74 -6.089 1.045 -11.090 1.00 52.00 H new ATOM 0 HG23 THR A 74 -5.662 2.136 -12.430 1.00 52.00 H new ATOM 1066 N LEU A 75 -3.385 1.182 -8.840 1.00 61.22 N ATOM 1067 CA LEU A 75 -3.301 0.581 -7.513 1.00 40.52 C ATOM 1068 C LEU A 75 -4.452 1.050 -6.629 1.00 73.13 C ATOM 1069 O LEU A 75 -4.674 2.250 -6.466 1.00 71.41 O ATOM 1070 CB LEU A 75 -1.963 0.931 -6.857 1.00 13.23 C ATOM 1071 CG LEU A 75 -0.962 -0.217 -6.723 1.00 60.43 C ATOM 1072 CD1 LEU A 75 -1.316 -1.097 -5.534 1.00 62.34 C ATOM 1073 CD2 LEU A 75 -0.916 -1.039 -8.002 1.00 35.23 C ATOM 0 H LEU A 75 -3.564 2.186 -8.838 1.00 61.22 H new ATOM 0 HA LEU A 75 -3.372 -0.501 -7.626 1.00 40.52 H new ATOM 0 HB2 LEU A 75 -1.496 1.729 -7.434 1.00 13.23 H new ATOM 0 HB3 LEU A 75 -2.162 1.331 -5.863 1.00 13.23 H new ATOM 0 HG LEU A 75 0.027 0.208 -6.554 1.00 60.43 H new ATOM 0 HD11 LEU A 75 -0.593 -1.909 -5.454 1.00 62.34 H new ATOM 0 HD12 LEU A 75 -1.295 -0.501 -4.621 1.00 62.34 H new ATOM 0 HD13 LEU A 75 -2.314 -1.513 -5.673 1.00 62.34 H new ATOM 0 HD21 LEU A 75 -0.198 -1.851 -7.887 1.00 35.23 H new ATOM 0 HD22 LEU A 75 -1.904 -1.454 -8.204 1.00 35.23 H new ATOM 0 HD23 LEU A 75 -0.613 -0.402 -8.833 1.00 35.23 H new ATOM 1084 N HIS A 76 -5.180 0.095 -6.059 1.00 44.01 N ATOM 1085 CA HIS A 76 -6.308 0.410 -5.188 1.00 65.15 C ATOM 1086 C HIS A 76 -5.994 0.044 -3.741 1.00 74.14 C ATOM 1087 O HIS A 76 -5.965 -1.134 -3.380 1.00 71.52 O ATOM 1088 CB HIS A 76 -7.561 -0.330 -5.654 1.00 1.43 C ATOM 1089 CG HIS A 76 -7.770 -0.279 -7.136 1.00 0.21 C ATOM 1090 ND1 HIS A 76 -7.216 0.693 -7.942 1.00 33.12 N ATOM 1091 CD2 HIS A 76 -8.477 -1.089 -7.959 1.00 32.30 C ATOM 1092 CE1 HIS A 76 -7.574 0.481 -9.195 1.00 13.22 C ATOM 1093 NE2 HIS A 76 -8.340 -0.596 -9.233 1.00 5.32 N ATOM 0 H HIS A 76 -5.010 -0.903 -6.184 1.00 44.01 H new ATOM 0 HA HIS A 76 -6.489 1.483 -5.242 1.00 65.15 H new ATOM 0 HB2 HIS A 76 -7.496 -1.372 -5.340 1.00 1.43 H new ATOM 0 HB3 HIS A 76 -8.432 0.098 -5.158 1.00 1.43 H new ATOM 0 HD2 HIS A 76 -9.044 -1.961 -7.667 1.00 32.30 H new ATOM 0 HE1 HIS A 76 -7.290 1.085 -10.044 1.00 13.22 H new ATOM 0 HE2 HIS A 76 -8.761 -0.995 -10.072 1.00 5.32 H new ATOM 1100 N LEU A 77 -5.760 1.058 -2.916 1.00 35.45 N ATOM 1101 CA LEU A 77 -5.449 0.843 -1.506 1.00 0.33 C ATOM 1102 C LEU A 77 -6.316 1.728 -0.616 1.00 1.12 C ATOM 1103 O LEU A 77 -6.012 2.902 -0.406 1.00 31.03 O ATOM 1104 CB LEU A 77 -3.970 1.127 -1.243 1.00 75.24 C ATOM 1105 CG LEU A 77 -3.454 2.491 -1.702 1.00 15.45 C ATOM 1106 CD1 LEU A 77 -2.623 3.143 -0.609 1.00 23.34 C ATOM 1107 CD2 LEU A 77 -2.643 2.351 -2.981 1.00 2.51 C ATOM 0 H LEU A 77 -5.780 2.038 -3.198 1.00 35.45 H new ATOM 0 HA LEU A 77 -5.661 -0.199 -1.266 1.00 0.33 H new ATOM 0 HB2 LEU A 77 -3.788 1.034 -0.172 1.00 75.24 H new ATOM 0 HB3 LEU A 77 -3.380 0.354 -1.735 1.00 75.24 H new ATOM 0 HG LEU A 77 -4.311 3.132 -1.908 1.00 15.45 H new ATOM 0 HD11 LEU A 77 -2.264 4.113 -0.954 1.00 23.34 H new ATOM 0 HD12 LEU A 77 -3.236 3.279 0.282 1.00 23.34 H new ATOM 0 HD13 LEU A 77 -1.772 2.506 -0.370 1.00 23.34 H new ATOM 0 HD21 LEU A 77 -2.284 3.332 -3.293 1.00 2.51 H new ATOM 0 HD22 LEU A 77 -1.793 1.693 -2.802 1.00 2.51 H new ATOM 0 HD23 LEU A 77 -3.271 1.928 -3.765 1.00 2.51 H new ATOM 1118 N VAL A 78 -7.396 1.156 -0.093 1.00 2.30 N ATOM 1119 CA VAL A 78 -8.304 1.891 0.778 1.00 22.03 C ATOM 1120 C VAL A 78 -8.934 0.972 1.818 1.00 54.55 C ATOM 1121 O VAL A 78 -9.448 -0.098 1.487 1.00 14.10 O ATOM 1122 CB VAL A 78 -9.423 2.577 -0.030 1.00 71.55 C ATOM 1123 CG1 VAL A 78 -9.949 3.795 0.716 1.00 51.02 C ATOM 1124 CG2 VAL A 78 -8.921 2.965 -1.412 1.00 60.15 C ATOM 0 H VAL A 78 -7.663 0.185 -0.258 1.00 2.30 H new ATOM 0 HA VAL A 78 -7.710 2.653 1.284 1.00 22.03 H new ATOM 0 HB VAL A 78 -10.245 1.871 -0.152 1.00 71.55 H new ATOM 0 HG11 VAL A 78 -10.738 4.267 0.131 1.00 51.02 H new ATOM 0 HG12 VAL A 78 -10.349 3.486 1.682 1.00 51.02 H new ATOM 0 HG13 VAL A 78 -9.137 4.506 0.870 1.00 51.02 H new ATOM 0 HG21 VAL A 78 -9.724 3.448 -1.969 1.00 60.15 H new ATOM 0 HG22 VAL A 78 -8.082 3.654 -1.314 1.00 60.15 H new ATOM 0 HG23 VAL A 78 -8.596 2.072 -1.945 1.00 60.15 H new ATOM 1134 N LEU A 79 -8.892 1.393 3.076 1.00 25.00 N ATOM 1135 CA LEU A 79 -9.459 0.608 4.166 1.00 73.23 C ATOM 1136 C LEU A 79 -10.649 1.326 4.793 1.00 34.51 C ATOM 1137 O LEU A 79 -10.497 2.380 5.412 1.00 43.40 O ATOM 1138 CB LEU A 79 -8.395 0.334 5.232 1.00 35.15 C ATOM 1139 CG LEU A 79 -8.755 -0.713 6.287 1.00 24.13 C ATOM 1140 CD1 LEU A 79 -9.120 -2.033 5.626 1.00 4.43 C ATOM 1141 CD2 LEU A 79 -7.604 -0.904 7.263 1.00 20.51 C ATOM 0 H LEU A 79 -8.471 2.275 3.367 1.00 25.00 H new ATOM 0 HA LEU A 79 -9.806 -0.340 3.755 1.00 73.23 H new ATOM 0 HB2 LEU A 79 -7.481 0.016 4.731 1.00 35.15 H new ATOM 0 HB3 LEU A 79 -8.170 1.271 5.741 1.00 35.15 H new ATOM 0 HG LEU A 79 -9.622 -0.357 6.844 1.00 24.13 H new ATOM 0 HD11 LEU A 79 -9.373 -2.766 6.392 1.00 4.43 H new ATOM 0 HD12 LEU A 79 -9.976 -1.886 4.968 1.00 4.43 H new ATOM 0 HD13 LEU A 79 -8.273 -2.395 5.044 1.00 4.43 H new ATOM 0 HD21 LEU A 79 -7.878 -1.652 8.007 1.00 20.51 H new ATOM 0 HD22 LEU A 79 -6.719 -1.238 6.721 1.00 20.51 H new ATOM 0 HD23 LEU A 79 -7.389 0.041 7.762 1.00 20.51 H new ATOM 1152 N ARG A 80 -11.835 0.748 4.632 1.00 41.24 N ATOM 1153 CA ARG A 80 -13.052 1.332 5.183 1.00 63.33 C ATOM 1154 C ARG A 80 -13.161 2.809 4.814 1.00 41.23 C ATOM 1155 O ARG A 80 -12.784 3.685 5.593 1.00 50.34 O ATOM 1156 CB ARG A 80 -13.076 1.173 6.704 1.00 50.33 C ATOM 1157 CG ARG A 80 -14.364 1.660 7.347 1.00 0.14 C ATOM 1158 CD ARG A 80 -14.097 2.358 8.671 1.00 24.01 C ATOM 1159 NE ARG A 80 -13.754 1.413 9.730 1.00 3.34 N ATOM 1160 CZ ARG A 80 -13.542 1.768 10.992 1.00 31.34 C ATOM 1161 NH1 ARG A 80 -13.636 3.042 11.351 1.00 14.53 N ATOM 1162 NH2 ARG A 80 -13.234 0.850 11.898 1.00 35.30 N ATOM 0 H ARG A 80 -11.979 -0.125 4.124 1.00 41.24 H new ATOM 0 HA ARG A 80 -13.904 0.804 4.756 1.00 63.33 H new ATOM 0 HB2 ARG A 80 -12.930 0.122 6.953 1.00 50.33 H new ATOM 0 HB3 ARG A 80 -12.237 1.721 7.131 1.00 50.33 H new ATOM 0 HG2 ARG A 80 -14.874 2.345 6.670 1.00 0.14 H new ATOM 0 HG3 ARG A 80 -15.033 0.815 7.509 1.00 0.14 H new ATOM 0 HD2 ARG A 80 -13.284 3.073 8.546 1.00 24.01 H new ATOM 0 HD3 ARG A 80 -14.979 2.927 8.965 1.00 24.01 H new ATOM 0 HE ARG A 80 -13.673 0.426 9.487 1.00 3.34 H new ATOM 0 HH11 ARG A 80 -13.872 3.751 10.657 1.00 14.53 H new ATOM 0 HH12 ARG A 80 -13.473 3.312 12.321 1.00 14.53 H new ATOM 0 HH21 ARG A 80 -13.160 -0.130 11.626 1.00 35.30 H new ATOM 0 HH22 ARG A 80 -13.071 1.124 12.867 1.00 35.30 H new ATOM 1173 N LEU A 81 -13.680 3.078 3.620 1.00 45.13 N ATOM 1174 CA LEU A 81 -13.839 4.448 3.147 1.00 4.11 C ATOM 1175 C LEU A 81 -14.584 5.296 4.172 1.00 13.02 C ATOM 1176 O LEU A 81 -15.069 4.783 5.181 1.00 0.10 O ATOM 1177 CB LEU A 81 -14.588 4.464 1.813 1.00 21.25 C ATOM 1178 CG LEU A 81 -15.838 3.586 1.736 1.00 2.22 C ATOM 1179 CD1 LEU A 81 -15.466 2.163 1.353 1.00 15.44 C ATOM 1180 CD2 LEU A 81 -16.587 3.607 3.059 1.00 70.55 C ATOM 0 H LEU A 81 -13.997 2.365 2.963 1.00 45.13 H new ATOM 0 HA LEU A 81 -12.846 4.874 3.004 1.00 4.11 H new ATOM 0 HB2 LEU A 81 -14.876 5.492 1.593 1.00 21.25 H new ATOM 0 HB3 LEU A 81 -13.899 4.151 1.028 1.00 21.25 H new ATOM 0 HG LEU A 81 -16.495 3.988 0.965 1.00 2.22 H new ATOM 0 HD11 LEU A 81 -16.367 1.552 1.303 1.00 15.44 H new ATOM 0 HD12 LEU A 81 -14.974 2.165 0.380 1.00 15.44 H new ATOM 0 HD13 LEU A 81 -14.789 1.750 2.101 1.00 15.44 H new ATOM 0 HD21 LEU A 81 -17.473 2.977 2.985 1.00 70.55 H new ATOM 0 HD22 LEU A 81 -15.939 3.230 3.850 1.00 70.55 H new ATOM 0 HD23 LEU A 81 -16.887 4.629 3.291 1.00 70.55 H new ATOM 1191 N ARG A 82 -14.673 6.595 3.907 1.00 15.45 N ATOM 1192 CA ARG A 82 -15.361 7.513 4.806 1.00 1.23 C ATOM 1193 C ARG A 82 -15.755 8.795 4.076 1.00 73.24 C ATOM 1194 O ARG A 82 -14.899 9.585 3.682 1.00 10.30 O ATOM 1195 CB ARG A 82 -14.471 7.849 6.005 1.00 15.22 C ATOM 1196 CG ARG A 82 -15.215 8.524 7.144 1.00 71.31 C ATOM 1197 CD ARG A 82 -14.439 8.432 8.449 1.00 43.34 C ATOM 1198 NE ARG A 82 -15.045 9.238 9.505 1.00 65.51 N ATOM 1199 CZ ARG A 82 -14.578 9.292 10.747 1.00 64.41 C ATOM 1200 NH1 ARG A 82 -13.505 8.591 11.088 1.00 1.43 N ATOM 1201 NH2 ARG A 82 -15.185 10.049 11.653 1.00 12.50 N ATOM 0 H ARG A 82 -14.277 7.036 3.077 1.00 15.45 H new ATOM 0 HA ARG A 82 -16.268 7.024 5.161 1.00 1.23 H new ATOM 0 HB2 ARG A 82 -14.012 6.932 6.375 1.00 15.22 H new ATOM 0 HB3 ARG A 82 -13.661 8.500 5.675 1.00 15.22 H new ATOM 0 HG2 ARG A 82 -15.389 9.571 6.896 1.00 71.31 H new ATOM 0 HG3 ARG A 82 -16.193 8.059 7.267 1.00 71.31 H new ATOM 0 HD2 ARG A 82 -14.391 7.391 8.770 1.00 43.34 H new ATOM 0 HD3 ARG A 82 -13.413 8.762 8.285 1.00 43.34 H new ATOM 0 HE ARG A 82 -15.872 9.790 9.276 1.00 65.51 H new ATOM 0 HH11 ARG A 82 -13.035 8.008 10.395 1.00 1.43 H new ATOM 0 HH12 ARG A 82 -13.149 8.635 12.043 1.00 1.43 H new ATOM 0 HH21 ARG A 82 -16.011 10.590 11.395 1.00 12.50 H new ATOM 0 HH22 ARG A 82 -14.826 10.090 12.607 1.00 12.50 H new ATOM 1212 N GLY A 83 -17.058 8.993 3.902 1.00 64.21 N ATOM 1213 CA GLY A 83 -17.542 10.180 3.220 1.00 72.21 C ATOM 1214 C GLY A 83 -17.846 11.315 4.178 1.00 44.05 C ATOM 1215 O GLY A 83 -17.758 12.487 3.810 1.00 32.24 O ATOM 0 H GLY A 83 -17.786 8.354 4.220 1.00 64.21 H new ATOM 0 HA2 GLY A 83 -16.796 10.509 2.496 1.00 72.21 H new ATOM 0 HA3 GLY A 83 -18.443 9.931 2.659 1.00 72.21 H new ATOM 1219 N TYR A 84 -18.204 10.969 5.409 1.00 61.32 N ATOM 1220 CA TYR A 84 -18.524 11.968 6.421 1.00 33.42 C ATOM 1221 C TYR A 84 -17.292 12.790 6.786 1.00 44.44 C ATOM 1222 O TYR A 84 -16.202 12.561 6.262 1.00 63.53 O ATOM 1223 CB TYR A 84 -19.090 11.294 7.673 1.00 13.03 C ATOM 1224 CG TYR A 84 -20.211 10.322 7.382 1.00 75.32 C ATOM 1225 CD1 TYR A 84 -21.275 10.682 6.565 1.00 4.01 C ATOM 1226 CD2 TYR A 84 -20.205 9.043 7.925 1.00 5.20 C ATOM 1227 CE1 TYR A 84 -22.302 9.797 6.298 1.00 52.42 C ATOM 1228 CE2 TYR A 84 -21.226 8.151 7.663 1.00 11.44 C ATOM 1229 CZ TYR A 84 -22.273 8.533 6.849 1.00 2.31 C ATOM 1230 OH TYR A 84 -23.292 7.648 6.584 1.00 12.45 O ATOM 0 H TYR A 84 -18.280 10.004 5.730 1.00 61.32 H new ATOM 0 HA TYR A 84 -19.276 12.639 6.006 1.00 33.42 H new ATOM 0 HB2 TYR A 84 -18.286 10.766 8.186 1.00 13.03 H new ATOM 0 HB3 TYR A 84 -19.454 12.062 8.356 1.00 13.03 H new ATOM 0 HD1 TYR A 84 -21.300 11.671 6.131 1.00 4.01 H new ATOM 0 HD2 TYR A 84 -19.388 8.741 8.563 1.00 5.20 H new ATOM 0 HE1 TYR A 84 -23.123 10.093 5.662 1.00 52.42 H new ATOM 0 HE2 TYR A 84 -21.205 7.160 8.093 1.00 11.44 H new ATOM 0 HH TYR A 84 -23.119 6.802 7.047 1.00 12.45 H new ATOM 1239 N ALA A 85 -17.474 13.749 7.688 1.00 62.34 N ATOM 1240 CA ALA A 85 -16.376 14.603 8.126 1.00 33.03 C ATOM 1241 C ALA A 85 -15.840 15.442 6.972 1.00 24.12 C ATOM 1242 O ALA A 85 -15.156 14.930 6.085 1.00 33.11 O ATOM 1243 CB ALA A 85 -15.262 13.763 8.733 1.00 33.12 C ATOM 0 H ALA A 85 -18.370 13.954 8.129 1.00 62.34 H new ATOM 0 HA ALA A 85 -16.759 15.282 8.888 1.00 33.03 H new ATOM 0 HB1 ALA A 85 -14.450 14.414 9.055 1.00 33.12 H new ATOM 0 HB2 ALA A 85 -15.648 13.212 9.591 1.00 33.12 H new ATOM 0 HB3 ALA A 85 -14.890 13.060 7.988 1.00 33.12 H new ATOM 1249 N ASP A 86 -16.154 16.733 6.988 1.00 13.53 N ATOM 1250 CA ASP A 86 -15.702 17.643 5.941 1.00 34.33 C ATOM 1251 C ASP A 86 -14.199 17.883 6.041 1.00 74.32 C ATOM 1252 O ASP A 86 -13.498 17.194 6.783 1.00 14.21 O ATOM 1253 CB ASP A 86 -16.451 18.973 6.037 1.00 4.43 C ATOM 1254 CG ASP A 86 -15.881 19.883 7.106 1.00 22.33 C ATOM 1255 OD1 ASP A 86 -16.150 19.636 8.300 1.00 32.10 O ATOM 1256 OD2 ASP A 86 -15.167 20.845 6.749 1.00 73.10 O ATOM 0 H ASP A 86 -16.719 17.173 7.714 1.00 13.53 H new ATOM 0 HA ASP A 86 -15.914 17.183 4.976 1.00 34.33 H new ATOM 0 HB2 ASP A 86 -16.410 19.480 5.073 1.00 4.43 H new ATOM 0 HB3 ASP A 86 -17.502 18.780 6.251 1.00 4.43 H new ATOM 1260 N LEU A 87 -13.711 18.862 5.289 1.00 51.11 N ATOM 1261 CA LEU A 87 -12.290 19.193 5.291 1.00 51.35 C ATOM 1262 C LEU A 87 -11.782 19.403 6.714 1.00 44.30 C ATOM 1263 O LEU A 87 -12.393 20.125 7.501 1.00 33.54 O ATOM 1264 CB LEU A 87 -12.037 20.449 4.457 1.00 41.32 C ATOM 1265 CG LEU A 87 -12.265 20.312 2.951 1.00 2.24 C ATOM 1266 CD1 LEU A 87 -13.670 20.760 2.581 1.00 15.11 C ATOM 1267 CD2 LEU A 87 -11.227 21.114 2.179 1.00 12.02 C ATOM 0 H LEU A 87 -14.278 19.441 4.670 1.00 51.11 H new ATOM 0 HA LEU A 87 -11.747 18.357 4.850 1.00 51.35 H new ATOM 0 HB2 LEU A 87 -12.681 21.245 4.831 1.00 41.32 H new ATOM 0 HB3 LEU A 87 -11.008 20.768 4.621 1.00 41.32 H new ATOM 0 HG LEU A 87 -12.158 19.261 2.681 1.00 2.24 H new ATOM 0 HD11 LEU A 87 -13.814 20.655 1.506 1.00 15.11 H new ATOM 0 HD12 LEU A 87 -14.399 20.143 3.106 1.00 15.11 H new ATOM 0 HD13 LEU A 87 -13.806 21.803 2.865 1.00 15.11 H new ATOM 0 HD21 LEU A 87 -11.405 21.005 1.109 1.00 12.02 H new ATOM 0 HD22 LEU A 87 -11.302 22.166 2.454 1.00 12.02 H new ATOM 0 HD23 LEU A 87 -10.230 20.746 2.421 1.00 12.02 H new ATOM 1278 N ARG A 88 -10.660 18.768 7.036 1.00 51.33 N ATOM 1279 CA ARG A 88 -10.069 18.886 8.364 1.00 3.23 C ATOM 1280 C ARG A 88 -8.577 19.190 8.270 1.00 23.13 C ATOM 1281 O ARG A 88 -8.051 19.436 7.185 1.00 40.41 O ATOM 1282 CB ARG A 88 -10.289 17.598 9.160 1.00 42.31 C ATOM 1283 CG ARG A 88 -9.632 16.377 8.536 1.00 1.03 C ATOM 1284 CD ARG A 88 -9.350 15.305 9.577 1.00 14.43 C ATOM 1285 NE ARG A 88 -10.525 14.476 9.839 1.00 61.11 N ATOM 1286 CZ ARG A 88 -10.915 13.482 9.048 1.00 65.01 C ATOM 1287 NH1 ARG A 88 -10.228 13.195 7.951 1.00 50.30 N ATOM 1288 NH2 ARG A 88 -11.994 12.774 9.354 1.00 61.44 N ATOM 0 H ARG A 88 -10.142 18.166 6.396 1.00 51.33 H new ATOM 0 HA ARG A 88 -10.559 19.712 8.880 1.00 3.23 H new ATOM 0 HB2 ARG A 88 -9.900 17.734 10.169 1.00 42.31 H new ATOM 0 HB3 ARG A 88 -11.360 17.417 9.253 1.00 42.31 H new ATOM 0 HG2 ARG A 88 -10.280 15.970 7.759 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -8.700 16.671 8.052 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -8.530 14.674 9.235 1.00 14.43 H new ATOM 0 HD3 ARG A 88 -9.024 15.776 10.504 1.00 14.43 H new ATOM 0 HE ARG A 88 -11.076 14.671 10.675 1.00 61.11 H new ATOM 0 HH11 ARG A 88 -9.398 13.738 7.712 1.00 50.30 H new ATOM 0 HH12 ARG A 88 -10.530 12.431 7.346 1.00 50.30 H new ATOM 0 HH21 ARG A 88 -12.525 12.992 10.197 1.00 61.44 H new ATOM 0 HH22 ARG A 88 -12.293 12.011 8.746 1.00 61.44 H new ATOM 1299 N GLU A 89 -7.900 19.172 9.415 1.00 12.44 N ATOM 1300 CA GLU A 89 -6.469 19.448 9.460 1.00 54.13 C ATOM 1301 C GLU A 89 -5.707 18.526 8.512 1.00 14.43 C ATOM 1302 O GLU A 89 -5.469 17.358 8.822 1.00 71.41 O ATOM 1303 CB GLU A 89 -5.941 19.280 10.886 1.00 2.11 C ATOM 1304 CG GLU A 89 -4.458 19.582 11.025 1.00 1.24 C ATOM 1305 CD GLU A 89 -4.081 20.931 10.444 1.00 30.21 C ATOM 1306 OE1 GLU A 89 -4.855 21.893 10.629 1.00 14.11 O ATOM 1307 OE2 GLU A 89 -3.013 21.024 9.805 1.00 45.25 O ATOM 0 H GLU A 89 -8.320 18.969 10.322 1.00 12.44 H new ATOM 0 HA GLU A 89 -6.313 20.478 9.140 1.00 54.13 H new ATOM 0 HB2 GLU A 89 -6.501 19.937 11.552 1.00 2.11 H new ATOM 0 HB3 GLU A 89 -6.128 18.258 11.216 1.00 2.11 H new ATOM 0 HG2 GLU A 89 -4.183 19.555 12.079 1.00 1.24 H new ATOM 0 HG3 GLU A 89 -3.884 18.802 10.525 1.00 1.24 H new ATOM 1312 N ASP A 90 -5.329 19.059 7.355 1.00 31.20 N ATOM 1313 CA ASP A 90 -4.594 18.285 6.362 1.00 43.50 C ATOM 1314 C ASP A 90 -3.189 17.958 6.858 1.00 2.13 C ATOM 1315 O ASP A 90 -2.635 18.639 7.721 1.00 3.22 O ATOM 1316 CB ASP A 90 -4.516 19.055 5.042 1.00 54.41 C ATOM 1317 CG ASP A 90 -4.144 20.510 5.241 1.00 11.15 C ATOM 1318 OD1 ASP A 90 -3.265 20.788 6.083 1.00 1.42 O ATOM 1319 OD2 ASP A 90 -4.733 21.373 4.555 1.00 63.34 O ATOM 0 H ASP A 90 -5.519 20.023 7.082 1.00 31.20 H new ATOM 0 HA ASP A 90 -5.128 17.349 6.198 1.00 43.50 H new ATOM 0 HB2 ASP A 90 -3.781 18.581 4.391 1.00 54.41 H new ATOM 0 HB3 ASP A 90 -5.478 18.995 4.533 1.00 54.41 H new ATOM 1323 N PRO A 91 -2.598 16.891 6.301 1.00 50.22 N ATOM 1324 CA PRO A 91 -1.250 16.449 6.672 1.00 2.33 C ATOM 1325 C PRO A 91 -0.171 17.417 6.197 1.00 33.41 C ATOM 1326 O PRO A 91 0.496 17.172 5.192 1.00 4.31 O ATOM 1327 CB PRO A 91 -1.110 15.102 5.960 1.00 74.00 C ATOM 1328 CG PRO A 91 -2.047 15.184 4.805 1.00 54.43 C ATOM 1329 CD PRO A 91 -3.199 16.034 5.266 1.00 13.34 C ATOM 0 HA PRO A 91 -1.124 16.391 7.753 1.00 2.33 H new ATOM 0 HB2 PRO A 91 -0.086 14.935 5.627 1.00 74.00 H new ATOM 0 HB3 PRO A 91 -1.369 14.276 6.622 1.00 74.00 H new ATOM 0 HG2 PRO A 91 -1.558 15.626 3.937 1.00 54.43 H new ATOM 0 HG3 PRO A 91 -2.388 14.192 4.508 1.00 54.43 H new ATOM 0 HD2 PRO A 91 -3.616 16.623 4.449 1.00 13.34 H new ATOM 0 HD3 PRO A 91 -4.010 15.427 5.668 1.00 13.34 H new ATOM 1334 N ASP A 92 -0.007 18.515 6.925 1.00 63.34 N ATOM 1335 CA ASP A 92 0.993 19.520 6.579 1.00 52.23 C ATOM 1336 C ASP A 92 1.041 20.623 7.631 1.00 64.45 C ATOM 1337 O ASP A 92 0.011 21.025 8.171 1.00 61.44 O ATOM 1338 CB ASP A 92 0.689 20.121 5.206 1.00 52.32 C ATOM 1339 CG ASP A 92 1.663 21.218 4.825 1.00 55.31 C ATOM 1340 OD1 ASP A 92 2.731 20.894 4.264 1.00 24.02 O ATOM 1341 OD2 ASP A 92 1.357 22.399 5.088 1.00 30.31 O ATOM 0 H ASP A 92 -0.553 18.733 7.759 1.00 63.34 H new ATOM 0 HA ASP A 92 1.967 19.032 6.546 1.00 52.23 H new ATOM 0 HB2 ASP A 92 0.721 19.334 4.453 1.00 52.32 H new ATOM 0 HB3 ASP A 92 -0.324 20.523 5.205 1.00 52.32 H new ATOM 1345 N ARG A 93 2.246 21.107 7.918 1.00 11.12 N ATOM 1346 CA ARG A 93 2.429 22.162 8.907 1.00 64.11 C ATOM 1347 C ARG A 93 1.651 23.415 8.517 1.00 4.31 C ATOM 1348 O ARG A 93 1.028 23.465 7.456 1.00 50.30 O ATOM 1349 CB ARG A 93 3.914 22.497 9.058 1.00 22.21 C ATOM 1350 CG ARG A 93 4.699 21.450 9.830 1.00 73.24 C ATOM 1351 CD ARG A 93 6.128 21.903 10.088 1.00 13.42 C ATOM 1352 NE ARG A 93 6.218 22.809 11.230 1.00 53.12 N ATOM 1353 CZ ARG A 93 7.244 23.625 11.442 1.00 51.15 C ATOM 1354 NH1 ARG A 93 8.263 23.649 10.594 1.00 73.04 N ATOM 1355 NH2 ARG A 93 7.253 24.420 12.505 1.00 10.41 N ATOM 0 H ARG A 93 3.109 20.785 7.480 1.00 11.12 H new ATOM 0 HA ARG A 93 2.046 21.800 9.861 1.00 64.11 H new ATOM 0 HB2 ARG A 93 4.354 22.612 8.068 1.00 22.21 H new ATOM 0 HB3 ARG A 93 4.011 23.458 9.563 1.00 22.21 H new ATOM 0 HG2 ARG A 93 4.203 21.249 10.779 1.00 73.24 H new ATOM 0 HG3 ARG A 93 4.708 20.515 9.270 1.00 73.24 H new ATOM 0 HD2 ARG A 93 6.758 21.031 10.266 1.00 13.42 H new ATOM 0 HD3 ARG A 93 6.516 22.400 9.199 1.00 13.42 H new ATOM 0 HE ARG A 93 5.450 22.815 11.902 1.00 53.12 H new ATOM 0 HH11 ARG A 93 8.260 23.040 9.776 1.00 73.04 H new ATOM 0 HH12 ARG A 93 9.050 24.277 10.760 1.00 73.04 H new ATOM 0 HH21 ARG A 93 6.471 24.405 13.160 1.00 10.41 H new ATOM 0 HH22 ARG A 93 8.042 25.046 12.667 1.00 10.41 H new ATOM 1366 N GLN A 94 1.692 24.424 9.380 1.00 33.33 N ATOM 1367 CA GLN A 94 0.989 25.676 9.126 1.00 3.34 C ATOM 1368 C GLN A 94 1.392 26.262 7.775 1.00 63.32 C ATOM 1369 O GLN A 94 2.574 26.490 7.515 1.00 24.44 O ATOM 1370 CB GLN A 94 1.279 26.685 10.239 1.00 12.32 C ATOM 1371 CG GLN A 94 1.030 26.137 11.635 1.00 43.42 C ATOM 1372 CD GLN A 94 0.762 27.229 12.651 1.00 62.54 C ATOM 1373 OE1 GLN A 94 1.495 28.216 12.728 1.00 41.45 O ATOM 1374 NE2 GLN A 94 -0.294 27.059 13.439 1.00 62.12 N ATOM 0 H GLN A 94 2.205 24.399 10.262 1.00 33.33 H new ATOM 0 HA GLN A 94 -0.080 25.465 9.107 1.00 3.34 H new ATOM 0 HB2 GLN A 94 2.317 27.008 10.164 1.00 12.32 H new ATOM 0 HB3 GLN A 94 0.659 27.568 10.088 1.00 12.32 H new ATOM 0 HG2 GLN A 94 0.180 25.455 11.607 1.00 43.42 H new ATOM 0 HG3 GLN A 94 1.895 25.555 11.952 1.00 43.42 H new ATOM 0 HE21 GLN A 94 -0.875 26.226 13.341 1.00 62.12 H new ATOM 0 HE22 GLN A 94 -0.524 27.761 14.142 1.00 62.12 H new ATOM 1381 N ASP A 95 0.405 26.502 6.921 1.00 34.53 N ATOM 1382 CA ASP A 95 0.656 27.062 5.599 1.00 12.41 C ATOM 1383 C ASP A 95 -0.654 27.385 4.886 1.00 72.35 C ATOM 1384 O ASP A 95 -1.674 26.735 5.117 1.00 12.22 O ATOM 1385 CB ASP A 95 1.481 26.085 4.757 1.00 23.25 C ATOM 1386 CG ASP A 95 1.549 26.493 3.298 1.00 32.34 C ATOM 1387 OD1 ASP A 95 2.233 27.493 2.993 1.00 44.25 O ATOM 1388 OD2 ASP A 95 0.919 25.813 2.463 1.00 51.42 O ATOM 0 H ASP A 95 -0.578 26.317 7.121 1.00 34.53 H new ATOM 0 HA ASP A 95 1.218 27.988 5.725 1.00 12.41 H new ATOM 0 HB2 ASP A 95 2.491 26.024 5.162 1.00 23.25 H new ATOM 0 HB3 ASP A 95 1.047 25.088 4.833 1.00 23.25 H new ATOM 1392 N HIS A 96 -0.618 28.393 4.022 1.00 20.20 N ATOM 1393 CA HIS A 96 -1.804 28.804 3.277 1.00 42.23 C ATOM 1394 C HIS A 96 -1.432 29.240 1.862 1.00 55.22 C ATOM 1395 O HIS A 96 -0.270 29.158 1.461 1.00 71.45 O ATOM 1396 CB HIS A 96 -2.519 29.944 4.002 1.00 50.21 C ATOM 1397 CG HIS A 96 -1.718 31.207 4.068 1.00 60.31 C ATOM 1398 ND1 HIS A 96 -2.070 32.358 3.393 1.00 74.23 N ATOM 1399 CD2 HIS A 96 -0.578 31.499 4.736 1.00 54.12 C ATOM 1400 CE1 HIS A 96 -1.179 33.301 3.642 1.00 33.30 C ATOM 1401 NE2 HIS A 96 -0.263 32.806 4.455 1.00 32.34 N ATOM 0 H HIS A 96 0.218 28.941 3.820 1.00 20.20 H new ATOM 0 HA HIS A 96 -2.476 27.948 3.211 1.00 42.23 H new ATOM 0 HB2 HIS A 96 -3.464 30.148 3.498 1.00 50.21 H new ATOM 0 HB3 HIS A 96 -2.761 29.624 5.015 1.00 50.21 H new ATOM 0 HD2 HIS A 96 -0.019 30.829 5.372 1.00 54.12 H new ATOM 0 HE1 HIS A 96 -1.196 34.306 3.248 1.00 33.30 H new ATOM 0 HE2 HIS A 96 0.546 33.312 4.815 1.00 32.34 H new ATOM 1408 N HIS A 97 -2.426 29.700 1.110 1.00 24.13 N ATOM 1409 CA HIS A 97 -2.203 30.149 -0.260 1.00 50.21 C ATOM 1410 C HIS A 97 -3.509 30.614 -0.899 1.00 63.21 C ATOM 1411 O HIS A 97 -3.654 31.768 -1.304 1.00 43.45 O ATOM 1412 CB HIS A 97 -1.586 29.025 -1.093 1.00 32.24 C ATOM 1413 CG HIS A 97 -0.246 29.369 -1.665 1.00 21.23 C ATOM 1414 ND1 HIS A 97 0.706 30.088 -0.973 1.00 52.11 N ATOM 1415 CD2 HIS A 97 0.301 29.088 -2.871 1.00 2.01 C ATOM 1416 CE1 HIS A 97 1.779 30.235 -1.728 1.00 2.22 C ATOM 1417 NE2 HIS A 97 1.559 29.637 -2.886 1.00 74.53 N ATOM 0 H HIS A 97 -3.393 29.772 1.425 1.00 24.13 H new ATOM 0 HA HIS A 97 -1.512 30.992 -0.232 1.00 50.21 H new ATOM 0 HB2 HIS A 97 -1.489 28.135 -0.471 1.00 32.24 H new ATOM 0 HB3 HIS A 97 -2.265 28.773 -1.907 1.00 32.24 H new ATOM 0 HD1 HIS A 97 0.598 30.450 -0.025 1.00 52.11 H new ATOM 0 HD2 HIS A 97 -0.166 28.535 -3.672 1.00 2.01 H new ATOM 0 HE1 HIS A 97 2.683 30.755 -1.447 1.00 2.22 H new ATOM 1424 N PRO A 98 -4.483 29.696 -0.992 1.00 62.44 N ATOM 1425 CA PRO A 98 -5.792 29.989 -1.580 1.00 30.34 C ATOM 1426 C PRO A 98 -6.623 30.925 -0.709 1.00 52.14 C ATOM 1427 O PRO A 98 -6.372 31.062 0.488 1.00 50.53 O ATOM 1428 CB PRO A 98 -6.457 28.613 -1.670 1.00 43.21 C ATOM 1429 CG PRO A 98 -5.795 27.803 -0.609 1.00 21.20 C ATOM 1430 CD PRO A 98 -4.379 28.302 -0.529 1.00 15.01 C ATOM 0 HA PRO A 98 -5.702 30.498 -2.540 1.00 30.34 H new ATOM 0 HB2 PRO A 98 -7.532 28.681 -1.503 1.00 43.21 H new ATOM 0 HB3 PRO A 98 -6.315 28.168 -2.655 1.00 43.21 H new ATOM 0 HG2 PRO A 98 -6.305 27.921 0.347 1.00 21.20 H new ATOM 0 HG3 PRO A 98 -5.821 26.741 -0.855 1.00 21.20 H new ATOM 0 HD2 PRO A 98 -3.989 28.244 0.487 1.00 15.01 H new ATOM 0 HD3 PRO A 98 -3.710 27.717 -1.161 1.00 15.01 H new ATOM 1435 N GLY A 99 -7.615 31.568 -1.317 1.00 25.04 N ATOM 1436 CA GLY A 99 -8.469 32.483 -0.581 1.00 44.05 C ATOM 1437 C GLY A 99 -8.970 33.626 -1.440 1.00 70.25 C ATOM 1438 O GLY A 99 -8.499 34.757 -1.317 1.00 25.01 O ATOM 0 H GLY A 99 -7.843 31.472 -2.307 1.00 25.04 H new ATOM 0 HA2 GLY A 99 -9.321 31.935 -0.178 1.00 44.05 H new ATOM 0 HA3 GLY A 99 -7.918 32.886 0.269 1.00 44.05 H new ATOM 1442 N SER A 100 -9.927 33.332 -2.314 1.00 73.22 N ATOM 1443 CA SER A 100 -10.490 34.343 -3.202 1.00 70.33 C ATOM 1444 C SER A 100 -11.945 34.028 -3.530 1.00 4.55 C ATOM 1445 O SER A 100 -12.411 32.908 -3.328 1.00 73.14 O ATOM 1446 CB SER A 100 -9.670 34.433 -4.490 1.00 70.10 C ATOM 1447 OG SER A 100 -10.208 35.407 -5.369 1.00 71.33 O ATOM 0 H SER A 100 -10.329 32.401 -2.426 1.00 73.22 H new ATOM 0 HA SER A 100 -10.453 35.304 -2.689 1.00 70.33 H new ATOM 0 HB2 SER A 100 -8.637 34.685 -4.251 1.00 70.10 H new ATOM 0 HB3 SER A 100 -9.655 33.461 -4.984 1.00 70.10 H new ATOM 0 HG SER A 100 -9.666 35.447 -6.184 1.00 71.33 H new ATOM 1452 N GLY A 101 -12.660 35.026 -4.041 1.00 3.41 N ATOM 1453 CA GLY A 101 -14.056 34.837 -4.392 1.00 43.34 C ATOM 1454 C GLY A 101 -14.291 34.901 -5.887 1.00 13.53 C ATOM 1455 O GLY A 101 -13.344 34.937 -6.672 1.00 22.22 O ATOM 0 H GLY A 101 -12.297 35.963 -4.218 1.00 3.41 H new ATOM 0 HA2 GLY A 101 -14.395 33.872 -4.015 1.00 43.34 H new ATOM 0 HA3 GLY A 101 -14.658 35.601 -3.900 1.00 43.34 H new ATOM 1459 N ALA A 102 -15.560 34.913 -6.285 1.00 53.43 N ATOM 1460 CA ALA A 102 -15.917 34.973 -7.696 1.00 11.54 C ATOM 1461 C ALA A 102 -17.427 35.091 -7.876 1.00 41.41 C ATOM 1462 O ALA A 102 -18.198 34.597 -7.054 1.00 14.35 O ATOM 1463 CB ALA A 102 -15.392 33.745 -8.427 1.00 24.45 C ATOM 0 H ALA A 102 -16.357 34.882 -5.649 1.00 53.43 H new ATOM 0 HA ALA A 102 -15.455 35.863 -8.124 1.00 11.54 H new ATOM 0 HB1 ALA A 102 -15.666 33.804 -9.480 1.00 24.45 H new ATOM 0 HB2 ALA A 102 -14.307 33.704 -8.336 1.00 24.45 H new ATOM 0 HB3 ALA A 102 -15.827 32.847 -7.988 1.00 24.45 H new ATOM 1469 N GLN A 103 -17.841 35.750 -8.954 1.00 43.32 N ATOM 1470 CA GLN A 103 -19.259 35.934 -9.238 1.00 5.34 C ATOM 1471 C GLN A 103 -19.737 34.934 -10.287 1.00 33.35 C ATOM 1472 O GLN A 103 -18.994 34.570 -11.198 1.00 44.12 O ATOM 1473 CB GLN A 103 -19.523 37.361 -9.720 1.00 25.13 C ATOM 1474 CG GLN A 103 -19.133 38.427 -8.708 1.00 33.11 C ATOM 1475 CD GLN A 103 -18.789 39.752 -9.358 1.00 25.10 C ATOM 1476 OE1 GLN A 103 -19.011 39.946 -10.554 1.00 13.14 O ATOM 1477 NE2 GLN A 103 -18.244 40.674 -8.573 1.00 41.41 N ATOM 0 H GLN A 103 -17.215 36.165 -9.644 1.00 43.32 H new ATOM 0 HA GLN A 103 -19.814 35.761 -8.316 1.00 5.34 H new ATOM 0 HB2 GLN A 103 -18.972 37.531 -10.645 1.00 25.13 H new ATOM 0 HB3 GLN A 103 -20.582 37.466 -9.956 1.00 25.13 H new ATOM 0 HG2 GLN A 103 -19.954 38.574 -8.006 1.00 33.11 H new ATOM 0 HG3 GLN A 103 -18.278 38.078 -8.130 1.00 33.11 H new ATOM 0 HE21 GLN A 103 -18.078 40.471 -7.587 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -17.992 41.585 -8.956 1.00 41.41 H new TER 1484 GLN A 103